| blob | 22148eb5582346aee1d49d0f87072221df3cb9e1 |
1 [ atomtypes ]
2 ;name at.num mass charge ptype c6 c12
3 O 8 0.000 0.000 A 0.0022619536 1e-06
4 OM 8 0.000 0.000 A 0.0022619536 7.4149321e-07
5 OA 8 0.000 0.000 A 0.0022619536 1.505529e-06
6 OE 8 0.000 0.000 A 0.0022619536 1.21e-06
7 OW 8 0.000 0.000 A 0.0026173456 2.634129e-06
8 N 7 0.000 0.000 A 0.0024364096 2.319529e-06
9 NT 7 0.000 0.000 A 0.0024364096 5.0625e-06
10 NL 7 0.000 0.000 A 0.0024364096 2.319529e-06
11 NR 7 0.000 0.000 A 0.0024364096 3.389281e-06
12 NZ 7 0.000 0.000 A 0.0024364096 2.319529e-06
13 NE 7 0.000 0.000 A 0.0024364096 2.319529e-06
14 C 6 0.000 0.000 A 0.0023406244 4.937284e-06
15 CH0 6 0.000 0.000 A 0.0023970816 0.0002053489
16 CH1 6 0.000 0.000 A 0.00606841 9.70225e-05
17 CH2 6 0.000 0.000 A 0.0074684164 3.3965584e-05
18 CH3 6 0.000 0.000 A 0.0096138025 2.6646244e-05
19 CH4 6 0.000 0.000 A 0.01317904 3.4363044e-05
20 CH2r 6 0.000 0.000 A 0.0073342096 2.8058209e-05
21 CR1 6 0.000 0.000 A 0.0055130625 1.5116544e-05
22 HC 1 0.000 0.000 A 8.464e-05 1.5129e-08
23 H 1 0.000 0.000 A 0 0
24 DUM 0 0.000 0.000 A 0 0
25 S 16 0.000 0.000 A 0.0099840064 1.3075456e-05
26 CU1+ 29 0.000 0.000 A 0.0004182025 5.1251281e-09
27 CU2+ 29 0.000 0.000 A 0.0004182025 5.1251281e-09
28 FE 26 0.000 0.000 A 0 0
29 ZN2+ 30 0.000 0.000 A 0.0004182025 9.4400656e-09
30 MG2+ 12 0.000 0.000 A 6.52864e-05 3.4082244e-09
31 CA2+ 20 0.000 0.000 A 0.00100489 4.9801249e-07
32 P 15 0.000 0.000 A 0.01473796 2.2193521e-05
33 AR 18 0.000 0.000 A 0.0062647225 9.847044e-06
34 F 9 0.000 0.000 A 0.0011778624 7.6073284e-07
35 CL 17 0.000 0.000 A 0.0087647044 1.5295921e-05
36 BR 35 0.000 0.000 A 0.02765569 6.5480464e-05
37 CMet 6 0.000 0.000 A 0.0088755241 1.936e-05
38 OMet 8 0.000 0.000 A 0.0022619536 2.325625e-06
39 NA+ 11 0.000 0.000 A 7.2063121e-05 2.1025e-08
40 CL- 17 0.000 0.000 A 0.01380625 0.0001069156
41 CChl 6 0.000 0.000 A 0.0026308693 4.064256e-06
42 CLChl 17 0.000 0.000 A 0.0083066819 1.3764842e-05
43 HChl 1 0.000 0.000 A 3.76996e-05 4.2999495e-09
44 SDmso 16 0.000 0.000 A 0.010561673 2.149806e-05
45 CDmso 6 0.000 0.000 A 0.0096138025 2.6646244e-05
46 ODmso 8 0.000 0.000 A 0.0022707131 7.5144626e-07
47 CCl4 6 0.000 0.000 A 0.0026308693 7.5999462e-06
48 CLCl4 17 0.000 0.000 A 0.0076040144 1.2767758e-05
49 FTFE 9 0.000 0.000 A 0.0011778624 1e-06
50 CTFE 6 0.000 0.000 A 0.0023406244 3.374569e-06
51 CHTFE 6 0.000 0.000 A 0.0071048041 2.5775929e-05
52 OTFE 8 0.000 0.000 A 0.0022619536 1.505529e-06
53 CUrea 6 0.000 0.000 A 0.0048868488 1.3589545e-05
54 OUrea 8 0.000 0.000 A 0.0023639044 1.5898688e-06
55 NUrea 7 0.000 0.000 A 0.0033527574 3.9509513e-06
56 SI 14 0.000 0.000 A 0.01473796 2.2193521e-05
57 MNH3 0 0.000 0.000 A 0.0 0.0
58 MW 0 0.000 0.000 D 0.0 0.0
60 [ nonbond_params ]
61 ; i j func c6 c12
62 OM O 1 0.0022619536 8.611e-07
63 OA O 1 0.0022619536 1.38651e-06
64 OA OM 1 0.0022619536 2.258907e-06
65 OE O 1 0.0022619536 1.1e-06
66 OE OM 1 0.0022619536 9.4721e-07
67 OE OA 1 0.0022619536 1.505529e-06
68 OW O 1 0.0024331696 1.83399e-06
69 OW OM 1 0.0024331696 2.987943e-06
70 OW OA 1 0.0024331696 1.991421e-06
71 OW OE 1 0.0024331696 1.991421e-06
72 N O 1 0.0023475616 2.19559e-06
73 N OM 1 0.0023475616 3.577063e-06
74 N OA 1 0.0023475616 2.384061e-06
75 N OE 1 0.0023475616 2.384061e-06
76 N OW 1 0.0025252576 3.153489e-06
77 NT O 1 0.0023475616 2.5425e-06
78 NT OM 1 0.0023475616 4.14225e-06
79 NT OA 1 0.0023475616 2.76075e-06
80 NT OE 1 0.0023475616 2.76075e-06
81 NT OW 1 0.0025252576 3.65175e-06
82 NT N 1 0.0024364096 4.37175e-06
83 NL O 1 0.0023475616 3.46684e-06
84 NL OM 1 0.0023475616 9.412624e-06
85 NL OA 1 0.0023475616 3.764436e-06
86 NL OE 1 0.0023475616 3.764436e-06
87 NL OW 1 0.0025252576 4.979364e-06
88 NL N 1 0.0024364096 2.319529e-06
89 NL NT 1 0.0024364096 6.903e-06
90 NR O 1 0.0023475616 2.08033e-06
91 NR OM 1 0.0023475616 3.389281e-06
92 NR OA 1 0.0023475616 2.258907e-06
93 NR OE 1 0.0023475616 2.258907e-06
94 NR OW 1 0.0025252576 2.987943e-06
95 NR N 1 0.0024364096 3.577063e-06
96 NR NT 1 0.0024364096 4.14225e-06
97 NR NL 1 0.0024364096 5.648188e-06
98 NZ O 1 0.0023475616 2.42724e-06
99 NZ OM 1 0.0023475616 6.590064e-06
100 NZ OA 1 0.0023475616 2.635596e-06
101 NZ OE 1 0.0023475616 2.635596e-06
102 NZ OW 1 0.0025252576 3.486204e-06
103 NZ N 1 0.0024364096 2.319529e-06
104 NZ NT 1 0.0024364096 4.833e-06
105 NZ NL 1 0.0024364096 2.319529e-06
106 NZ NR 1 0.0024364096 3.954468e-06
107 NE O 1 0.0023475616 2.24192e-06
108 NE OM 1 0.0023475616 6.086912e-06
109 NE OA 1 0.0023475616 2.434368e-06
110 NE OE 1 0.0023475616 2.434368e-06
111 NE OW 1 0.0025252576 3.220032e-06
112 NE N 1 0.0024364096 2.319529e-06
113 NE NT 1 0.0024364096 4.464e-06
114 NE NL 1 0.0024364096 2.319529e-06
115 NE NR 1 0.0024364096 3.652544e-06
116 NE NZ 1 0.0024364096 2.319529e-06
117 C O 1 0.0023009528 2.222e-06
118 C OM 1 0.0023009528 1.9133642e-06
119 C OA 1 0.0023009528 2.4442e-06
120 C OE 1 0.0023009528 2.4442e-06
121 C OW 1 0.0024751208 3.606306e-06
122 C N 1 0.0023880368 3.384106e-06
123 C NT 1 0.0023880368 3.384106e-06
124 C NL 1 0.0023880368 3.384106e-06
125 C NR 1 0.0023880368 3.384106e-06
126 C NZ 1 0.0023880368 3.384106e-06
127 C NE 1 0.0023880368 3.384106e-06
128 CH0 O 1 0.0023285376 1.433e-05
129 CH0 OM 1 0.0023285376 1.2339563e-05
130 CH0 OA 1 0.0023285376 1.5763e-05
131 CH0 OE 1 0.0023285376 1.5763e-05
132 CH0 OW 1 0.0025047936 2.325759e-05
133 CH0 N 1 0.0024166656 2.182459e-05
134 CH0 NT 1 0.0024166656 2.182459e-05
135 CH0 NL 1 0.0024166656 2.182459e-05
136 CH0 NR 1 0.0024166656 2.182459e-05
137 CH0 NZ 1 0.0024166656 2.182459e-05
138 CH0 NE 1 0.0024166656 2.182459e-05
139 CH0 C 1 0.0023686848 3.184126e-05
140 CH1 O 1 0.003704924 9.85e-06
141 CH1 OM 1 0.003704924 8.481835e-06
142 CH1 OA 1 0.003704924 1.0835e-05
143 CH1 OE 1 0.003704924 1.0835e-05
144 CH1 OW 1 0.003985364 1.598655e-05
145 CH1 N 1 0.003845144 1.500155e-05
146 CH1 NT 1 0.003845144 1.500155e-05
147 CH1 NL 1 0.003845144 1.500155e-05
148 CH1 NR 1 0.003845144 1.500155e-05
149 CH1 NZ 1 0.003845144 1.500155e-05
150 CH1 NE 1 0.003845144 1.500155e-05
151 CH1 C 1 0.003768802 2.18867e-05
152 CH1 CH0 1 0.003813984 0.0001411505
153 CH2 O 1 0.0041101352 5.828e-06
154 CH2 OM 1 0.0041101352 5.0184908e-06
155 CH2 OA 1 0.0041101352 6.4108e-06
156 CH2 OE 1 0.0041101352 6.4108e-06
157 CH2 OW 1 0.0044212472 9.458844e-06
158 CH2 N 1 0.0042656912 8.876044e-06
159 CH2 NT 1 0.0042656912 8.876044e-06
160 CH2 NL 1 0.0042656912 8.876044e-06
161 CH2 NR 1 0.0042656912 8.876044e-06
162 CH2 NZ 1 0.0042656912 8.876044e-06
163 CH2 NE 1 0.0042656912 8.876044e-06
164 CH2 C 1 0.0041809996 1.2949816e-05
165 CH2 CH0 1 0.0042311232 8.351524e-05
166 CH2 CH1 1 0.006732118 5.74058e-05
167 CH3 O 1 0.004663258 5.162e-06
168 CH3 OM 1 0.004663258 4.4449982e-06
169 CH3 OA 1 0.004663258 5.6782e-06
170 CH3 OE 1 0.004663258 5.6782e-06
171 CH3 OW 1 0.005016238 8.377926e-06
172 CH3 N 1 0.004839748 7.861726e-06
173 CH3 NT 1 0.004839748 7.861726e-06
174 CH3 NL 1 0.004839748 7.861726e-06
175 CH3 NR 1 0.004839748 7.861726e-06
176 CH3 NZ 1 0.004839748 7.861726e-06
177 CH3 NE 1 0.004839748 7.861726e-06
178 CH3 C 1 0.004743659 1.1469964e-05
179 CH3 CH0 1 0.004800528 7.397146e-05
180 CH3 CH1 1 0.007638095 5.08457e-05
181 CH3 CH2 1 0.008473481 3.0084136e-05
182 CH4 O 1 0.005459888 5.862e-06
183 CH4 OM 1 0.005459888 5.0477682e-06
184 CH4 OA 1 0.005459888 6.4482e-06
185 CH4 OE 1 0.005459888 6.4482e-06
186 CH4 OW 1 0.005873168 9.514026e-06
187 CH4 N 1 0.005666528 8.927826e-06
188 CH4 NT 1 0.005666528 8.927826e-06
189 CH4 NL 1 0.005666528 8.927826e-06
190 CH4 NR 1 0.005666528 8.927826e-06
191 CH4 NZ 1 0.005666528 8.927826e-06
192 CH4 NE 1 0.005666528 8.927826e-06
193 CH4 C 1 0.005554024 1.3025364e-05
194 CH4 CH0 1 0.005620608 8.400246e-05
195 CH4 CH1 1 0.00894292 5.77407e-05
196 CH4 CH2 1 0.009921016 3.4163736e-05
197 CH4 CH3 1 0.01125614 3.0259644e-05
198 CH2r O 1 0.0040730384 5.297e-06
199 CH2r OM 1 0.0040730384 4.5612467e-06
200 CH2r OA 1 0.0040730384 5.8267e-06
201 CH2r OE 1 0.0040730384 5.8267e-06
202 CH2r OW 1 0.0043813424 8.597031e-06
203 CH2r N 1 0.0042271904 8.067331e-06
204 CH2r NT 1 0.0042271904 8.067331e-06
205 CH2r NL 1 0.0042271904 8.067331e-06
206 CH2r NR 1 0.0042271904 8.067331e-06
207 CH2r NZ 1 0.0042271904 8.067331e-06
208 CH2r NE 1 0.0042271904 8.067331e-06
209 CH2r C 1 0.0041432632 1.1769934e-05
210 CH2r CH0 1 0.0041929344 7.590601e-05
211 CH2r CH1 1 0.006671356 5.217545e-05
212 CH2r CH2 1 0.0074010088 3.0870916e-05
213 CH2r CH3 1 0.008397002 2.7343114e-05
214 CH2r CH4 1 0.009831472 3.1051014e-05
215 CR1 O 1 0.00353133 3.888e-06
216 CR1 OM 1 0.00353133 3.3479568e-06
217 CR1 OA 1 0.00353133 4.2768e-06
218 CR1 OE 1 0.00353133 4.2768e-06
219 CR1 OW 1 0.00379863 6.310224e-06
220 CR1 N 1 0.00366498 5.921424e-06
221 CR1 NT 1 0.00366498 5.921424e-06
222 CR1 NL 1 0.00366498 5.921424e-06
223 CR1 NR 1 0.00366498 5.921424e-06
224 CR1 NZ 1 0.00366498 5.921424e-06
225 CR1 NE 1 0.00366498 5.921424e-06
226 CR1 C 1 0.003592215 8.639136e-06
227 CR1 CH0 1 0.00363528 5.571504e-05
228 CR1 CH1 1 0.005784075 3.82968e-05
229 CR1 CH2 1 0.006416685 2.2659264e-05
230 CR1 CH3 1 0.0072802125 2.0069856e-05
231 CR1 CH4 1 0.0085239 2.2791456e-05
232 CR1 CH2r 1 0.00635877 2.0594736e-05
233 HC O 1 0.000437552 1.23e-07
234 HC OM 1 0.000437552 1.059153e-07
235 HC OA 1 0.000437552 1.353e-07
236 HC OE 1 0.000437552 1.353e-07
237 HC OW 1 0.000470672 1.99629e-07
238 HC N 1 0.000454112 1.87329e-07
239 HC NT 1 0.000454112 1.87329e-07
240 HC NL 1 0.000454112 1.87329e-07
241 HC NR 1 0.000454112 1.87329e-07
242 HC NZ 1 0.000454112 1.87329e-07
243 HC NE 1 0.000454112 1.87329e-07
244 HC C 1 0.000445096 2.73306e-07
245 HC CH0 1 0.000450432 1.76259e-06
246 HC CH1 1 0.00071668 1.21155e-06
247 HC CH2 1 0.000795064 7.16844e-07
248 HC CH3 1 0.00090206 6.34926e-07
249 HC CH4 1 0.00105616 7.21026e-07
250 HC CH2r 1 0.000787888 6.51531e-07
251 HC CR1 1 0.0006831 4.78224e-07
252 H O 1 0 0
253 H OM 1 0 0
254 H OA 1 0 0
255 H OE 1 0 0
256 H OW 1 0 0
257 H N 1 0 0
258 H NT 1 0 0
259 H NL 1 0 0
260 H NR 1 0 0
261 H NZ 1 0 0
262 H NE 1 0 0
263 H C 1 0 0
264 H CH0 1 0 0
265 H CH1 1 0 0
266 H CH2 1 0 0
267 H CH3 1 0 0
268 H CH4 1 0 0
269 H CH2r 1 0 0
270 H CR1 1 0 0
271 H HC 1 0 0
272 DUM O 1 0 0
273 DUM OM 1 0 0
274 DUM OA 1 0 0
275 DUM OE 1 0 0
276 DUM OW 1 0 0
277 DUM N 1 0 0
278 DUM NT 1 0 0
279 DUM NL 1 0 0
280 DUM NR 1 0 0
281 DUM NZ 1 0 0
282 DUM NE 1 0 0
283 DUM C 1 0 0
284 DUM CH0 1 0 0
285 DUM CH1 1 0 0
286 DUM CH2 1 0 0
287 DUM CH3 1 0 0
288 DUM CH4 1 0 0
289 DUM CH2r 1 0 0
290 DUM CR1 1 0 0
291 DUM HC 1 0 0
292 DUM H 1 0 0
293 S O 1 0.0047521952 3.616e-06
294 S OM 1 0.0047521952 3.1137376e-06
295 S OA 1 0.0047521952 3.9776e-06
296 S OE 1 0.0047521952 3.9776e-06
297 S OW 1 0.0051119072 5.868768e-06
298 S N 1 0.0049320512 5.507168e-06
299 S NT 1 0.0049320512 5.507168e-06
300 S NL 1 0.0049320512 5.507168e-06
301 S NR 1 0.0049320512 5.507168e-06
302 S NZ 1 0.0049320512 5.507168e-06
303 S NE 1 0.0049320512 5.507168e-06
304 S C 1 0.0048341296 8.034752e-06
305 S CH0 1 0.0048920832 5.181728e-05
306 S CH1 1 0.007783768 3.56176e-05
307 S CH2 1 0.0086350864 2.1074048e-05
308 S CH3 1 0.009797156 1.8665792e-05
309 S CH4 1 0.011470816 2.1196992e-05
310 S CH2r 1 0.0085571488 1.9153952e-05
311 S CR1 1 0.00741906 1.4059008e-05
312 S HC 1 0.000919264 4.44768e-07
313 S H 1 0 0
314 S DUM 1 0 0
315 CU1+ O 1 0.000972602 2.5425e-07
316 CU1+ OM 1 0.000972602 6.903e-07
317 CU1+ OA 1 0.000972602 2.76075e-07
318 CU1+ OE 1 0.000972602 2.76075e-07
319 CU1+ OW 1 0.001046222 3.65175e-07
320 CU1+ N 1 0.001009412 1.0903157e-07
321 CU1+ NT 1 0.001009412 1.0903157e-07
322 CU1+ NL 1 0.001009412 1.0903157e-07
323 CU1+ NR 1 0.001009412 4.14225e-07
324 CU1+ NZ 1 0.001009412 1.0903157e-07
325 CU1+ NE 1 0.001009412 1.0903157e-07
326 CU1+ C 1 0.000989371 1.5907298e-07
327 CU1+ CH0 1 0.001001232 1.0258847e-06
328 CU1+ CH1 1 0.001593055 7.051615e-07
329 CU1+ CH2 1 0.001767289 4.1722652e-07
330 CU1+ CH3 1 0.0020051225 3.6954758e-07
331 CU1+ CH4 1 0.00234766 4.1966058e-07
332 CU1+ CH2r 1 0.001751338 3.7921223e-07
333 CU1+ CR1 1 0.0015184125 2.7834192e-07
334 CU1+ HC 1 0.00018814 8.80557e-09
335 CU1+ H 1 0 0
336 CU1+ DUM 1 0 0
337 CU1+ S 1 0.002043364 2.5886944e-07
338 CU2+ O 1 0.000972602 4.62283e-07
339 CU2+ OM 1 0.000972602 1.2551188e-06
340 CU2+ OA 1 0.000972602 5.019657e-07
341 CU2+ OE 1 0.000972602 5.019657e-07
342 CU2+ OW 1 0.001046222 6.639693e-07
343 CU2+ N 1 0.001009412 1.0903157e-07
344 CU2+ NT 1 0.001009412 1.0903157e-07
345 CU2+ NL 1 0.001009412 1.0903157e-07
346 CU2+ NR 1 0.001009412 7.531531e-07
347 CU2+ NZ 1 0.001009412 1.0903157e-07
348 CU2+ NE 1 0.001009412 1.0903157e-07
349 CU2+ C 1 0.000989371 1.5907298e-07
350 CU2+ CH0 1 0.001001232 1.0258847e-06
351 CU2+ CH1 1 0.001593055 7.051615e-07
352 CU2+ CH2 1 0.001767289 4.1722652e-07
353 CU2+ CH3 1 0.0020051225 3.6954758e-07
354 CU2+ CH4 1 0.00234766 4.1966058e-07
355 CU2+ CH2r 1 0.001751338 3.7921223e-07
356 CU2+ CR1 1 0.0015184125 2.7834192e-07
357 CU2+ HC 1 0.00018814 8.80557e-09
358 CU2+ H 1 0 0
359 CU2+ DUM 1 0 0
360 CU2+ S 1 0.002043364 2.5886944e-07
361 CU2+ CU1+ 1 0.0004182025 5.1251281e-09
362 FE O 1 0 0
363 FE OM 1 0 0
364 FE OA 1 0 0
365 FE OE 1 0 0
366 FE OW 1 0 0
367 FE N 1 0 0
368 FE NT 1 0 0
369 FE NL 1 0 0
370 FE NR 1 0 0
371 FE NZ 1 0 0
372 FE NE 1 0 0
373 FE C 1 0 0
374 FE CH0 1 0 0
375 FE CH1 1 0 0
376 FE CH2 1 0 0
377 FE CH3 1 0 0
378 FE CH4 1 0 0
379 FE CH2r 1 0 0
380 FE CR1 1 0 0
381 FE HC 1 0 0
382 FE H 1 0 0
383 FE DUM 1 0 0
384 FE S 1 0 0
385 FE CU1+ 1 0 0
386 FE CU2+ 1 0 0
387 ZN2+ O 1 0.000972602 1.097908e-07
388 ZN2+ OM 1 0.000972602 2.9808688e-07
389 ZN2+ OA 1 0.000972602 1.1921532e-07
390 ZN2+ OE 1 0.000972602 1.1921532e-07
391 ZN2+ OW 1 0.001046222 1.5769068e-07
392 ZN2+ N 1 0.001009412 1.4797468e-07
393 ZN2+ NT 1 0.001009412 1.4797468e-07
394 ZN2+ NL 1 0.001009412 1.4797468e-07
395 ZN2+ NR 1 0.001009412 1.7887156e-07
396 ZN2+ NZ 1 0.001009412 1.4797468e-07
397 ZN2+ NE 1 0.001009412 1.4797468e-07
398 ZN2+ C 1 0.000989371 2.1588952e-07
399 ZN2+ CH0 1 0.001001232 1.3923028e-06
400 ZN2+ CH1 1 0.001593055 9.57026e-07
401 ZN2+ CH2 1 0.001767289 5.6624848e-07
402 ZN2+ CH3 1 0.0020051225 5.0153992e-07
403 ZN2+ CH4 1 0.00234766 5.6955192e-07
404 ZN2+ CH2r 1 0.001751338 5.1465652e-07
405 ZN2+ CR1 1 0.0015184125 3.7775808e-07
406 ZN2+ HC 1 0.00018814 1.195068e-08
407 ZN2+ H 1 0 0
408 ZN2+ DUM 1 0 0
409 ZN2+ S 1 0.002043364 3.5133056e-07
410 ZN2+ CU1+ 1 0.0004182025 6.9556844e-09
411 ZN2+ CU2+ 1 0.0004182025 6.9556844e-09
412 ZN2+ FE 1 0 0
413 MG2+ O 1 0.0003842848 6.59694e-08
414 MG2+ OM 1 0.0003842848 1.7910984e-07
415 MG2+ OA 1 0.0003842848 7.163226e-08
416 MG2+ OE 1 0.0003842848 7.163226e-08
417 MG2+ OW 1 0.0004133728 9.475074e-08
418 MG2+ N 1 0.0003988288 8.891274e-08
419 MG2+ NT 1 0.0003988288 8.891274e-08
420 MG2+ NL 1 0.0003988288 8.891274e-08
421 MG2+ NR 1 0.0003988288 1.0747758e-07
422 MG2+ NZ 1 0.0003988288 8.891274e-08
423 MG2+ NE 1 0.0003988288 8.891274e-08
424 MG2+ C 1 0.0003909104 1.2972036e-07
425 MG2+ CH0 1 0.0003955968 8.365854e-07
426 MG2+ CH1 1 0.000629432 5.75043e-07
427 MG2+ CH2 1 0.0006982736 3.4023864e-07
428 MG2+ CH3 1 0.000792244 3.0135756e-07
429 MG2+ CH4 1 0.000927584 3.4222356e-07
430 MG2+ CH2r 1 0.0006919712 3.0923886e-07
431 MG2+ CR1 1 0.00059994 2.2698144e-07
432 MG2+ HC 1 7.4336e-05 7.18074e-09
433 MG2+ H 1 0 0
434 MG2+ DUM 1 0 0
435 MG2+ S 1 0.0008073536 2.1110208e-07
436 MG2+ CU1+ 1 0.000165236 4.1794242e-09
437 MG2+ CU2+ 1 0.000165236 4.1794242e-09
438 MG2+ FE 1 0 0
439 MG2+ ZN2+ 1 0.000165236 5.6722008e-09
440 CA2+ O 1 0.001507652 7.97441e-07
441 CA2+ OM 1 0.001507652 2.1650876e-06
442 CA2+ OA 1 0.001507652 8.658939e-07
443 CA2+ OE 1 0.001507652 8.658939e-07
444 CA2+ OW 1 0.001621772 1.1453511e-06
445 CA2+ N 1 0.001564712 1.0747811e-06
446 CA2+ NT 1 0.001564712 1.0747811e-06
447 CA2+ NL 1 0.001564712 1.0747811e-06
448 CA2+ NR 1 0.001564712 1.2991937e-06
449 CA2+ NZ 1 0.001564712 1.0747811e-06
450 CA2+ NE 1 0.001564712 1.0747811e-06
451 CA2+ C 1 0.001533646 1.5680654e-06
452 CA2+ CH0 1 0.001552032 1.0112681e-05
453 CA2+ CH1 1 0.00246943 6.951145e-06
454 CA2+ CH2 1 0.002739514 4.1128196e-06
455 CA2+ CH3 1 0.003108185 3.6428234e-06
456 CA2+ CH4 1 0.00363916 4.1368134e-06
457 CA2+ CH2r 1 0.002714788 3.7380929e-06
458 CA2+ CR1 1 0.002353725 2.7437616e-06
459 CA2+ HC 1 0.00029164 8.68011e-08
460 CA2+ H 1 0 0
461 CA2+ DUM 1 0 0
462 CA2+ S 1 0.003167464 2.5518112e-06
463 CA2+ CU1+ 1 0.000648265 5.0521063e-08
464 CA2+ CU2+ 1 0.000648265 5.0521063e-08
465 CA2+ FE 1 0 0
466 CA2+ ZN2+ 1 0.000648265 6.8565812e-08
467 CA2+ MG2+ 1 0.000256136 4.1198766e-08
468 P O 1 0.005773784 5.32343e-06
469 P OM 1 0.005773784 1.4453348e-05
470 P OA 1 0.005773784 5.780397e-06
471 P OE 1 0.005773784 5.780397e-06
472 P OW 1 0.006210824 7.645953e-06
473 P N 1 0.005992304 7.174853e-06
474 P NT 1 0.005992304 7.174853e-06
475 P NL 1 0.005992304 7.174853e-06
476 P NR 1 0.005992304 8.672951e-06
477 P NZ 1 0.005992304 7.174853e-06
478 P NE 1 0.005992304 7.174853e-06
479 P C 1 0.005873332 1.0467842e-05
480 P CH0 1 0.005943744 6.750863e-05
481 P CH1 1 0.00945706 4.640335e-05
482 P CH2 1 0.010491388 2.7455708e-05
483 P CH3 1 0.01190327 2.4318182e-05
484 P CH4 1 0.01393672 2.7615882e-05
485 P CH2r 1 0.010396696 2.4954167e-05
486 P CR1 1 0.00901395 1.8316368e-05
487 P HC 1 0.00111688 5.79453e-07
488 P H 1 0 0
489 P DUM 1 0 0
490 P S 1 0.012130288 1.7034976e-05
491 P CU1+ 1 0.00248263 3.3726049e-07
492 P CU2+ 1 0.00248263 3.3726049e-07
493 P FE 1 0 0
494 P ZN2+ 1 0.00248263 4.5772076e-07
495 P MG2+ 1 0.000980912 2.7502818e-07
496 P CA2+ 1 0.00384838 3.3245527e-06
497 AR O 1 0.003764374 3.138e-06
498 AR OM 1 0.003764374 2.7021318e-06
499 AR OA 1 0.003764374 3.4518e-06
500 AR OE 1 0.003764374 3.4518e-06
501 AR OW 1 0.004049314 5.092974e-06
502 AR N 1 0.003906844 4.779174e-06
503 AR NT 1 0.003906844 4.779174e-06
504 AR NL 1 0.003906844 4.779174e-06
505 AR NR 1 0.003906844 4.779174e-06
506 AR NZ 1 0.003906844 4.779174e-06
507 AR NE 1 0.003906844 4.779174e-06
508 AR C 1 0.003829277 6.972636e-06
509 AR CH0 1 0.003875184 4.496754e-05
510 AR CH1 1 0.006165785 3.09093e-05
511 AR CH2 1 0.006840143 1.8288264e-05
512 AR CH3 1 0.0077606575 1.6198356e-05
513 AR CH4 1 0.00908642 1.8394956e-05
514 AR CH2r 1 0.006778406 1.6621986e-05
515 AR CR1 1 0.0058768875 1.2200544e-05
516 AR HC 1 0.00072818 3.85974e-07
517 AR H 1 0 0
518 AR DUM 1 0 0
519 AR S 1 0.007908668 1.1347008e-05
520 AR CU1+ 1 0.0016186175 2.2464942e-07
521 AR CU2+ 1 0.0016186175 2.2464942e-07
522 AR FE 1 0 0
523 AR ZN2+ 1 0.0016186175 3.0488808e-07
524 AR MG2+ 1 0.000639532 1.8319644e-07
525 AR CA2+ 1 0.002509055 2.2144866e-06
526 AR P 1 0.00960881 1.4783118e-05
527 F O 1 0.0016322592 8.722e-07
528 F OM 1 0.0016322592 7.5105142e-07
529 F OA 1 0.0016322592 1.505529e-06
530 F OE 1 0.0016322592 9.5942e-07
531 F OW 1 0.0017558112 1.991421e-06
532 F N 1 0.0016940352 2.384061e-06
533 F NT 1 0.0016940352 2.76075e-06
534 F NL 1 0.0016940352 3.764436e-06
535 F NR 1 0.0016940352 2.258907e-06
536 F NZ 1 0.0016940352 2.635596e-06
537 F NE 1 0.0016940352 2.434368e-06
538 F C 1 0.0016604016 1.9380284e-06
539 F CH0 1 0.0016803072 1.2498626e-05
540 F CH1 1 0.002673528 8.59117e-06
541 F CH2 1 0.0029659344 5.0831816e-06
542 F CH3 1 0.003365076 4.5022964e-06
543 F CH4 1 0.003939936 5.1128364e-06
544 F CH2r 1 0.0029391648 4.6200434e-06
545 F CR1 1 0.00254826 3.3911136e-06
546 F HC 1 0.000315744 1.072806e-07
547 F H 1 0 0
548 F DUM 1 0 0
549 F S 1 0.0034292544 3.1538752e-06
550 F CU1+ 1 0.000701844 2.76075e-07
551 F CU2+ 1 0.000701844 5.019657e-07
552 F FE 1 0 0
553 F ZN2+ 1 0.000701844 1.1921532e-07
554 F MG2+ 1 0.0002773056 7.163226e-08
555 F CA2+ 1 0.001087944 8.658939e-07
556 F P 1 0.004166448 5.780397e-06
557 F AR 1 0.002716428 2.7369636e-06
558 CL O 1 0.0044525672 3.911e-06
559 CL OM 1 0.0044525672 3.3677621e-06
560 CL OA 1 0.0044525672 4.798797e-06
561 CL OE 1 0.0044525672 4.3021e-06
562 CL OW 1 0.0047895992 6.347553e-06
563 CL N 1 0.0046210832 7.599073e-06
564 CL NT 1 0.0046210832 8.79975e-06
565 CL NL 1 0.0046210832 1.1998948e-05
566 CL NR 1 0.0046210832 7.200151e-06
567 CL NZ 1 0.0046210832 8.400828e-06
568 CL NE 1 0.0046210832 7.759424e-06
569 CL C 1 0.0045293356 8.690242e-06
570 CL CH0 1 0.0045836352 5.604463e-05
571 CL CH1 1 0.007292998 3.852335e-05
572 CL CH2 1 0.0080906404 2.2793308e-05
573 CL CH3 1 0.009179441 2.0188582e-05
574 CL CH4 1 0.010747576 2.2926282e-05
575 CL CH2r 1 0.0080176168 2.0716567e-05
576 CL CR1 1 0.006951285 1.5205968e-05
577 CL HC 1 0.000861304 4.81053e-07
578 CL H 1 0 0
579 CL DUM 1 0 0
580 CL S 1 0.0093545104 1.4142176e-05
581 CL CU1+ 1 0.001914529 8.79975e-07
582 CL CU2+ 1 0.001914529 1.5999901e-06
583 CL FE 1 0 0
584 CL ZN2+ 1 0.001914529 3.7999276e-07
585 CL MG2+ 1 0.0007564496 2.2832418e-07
586 CL CA2+ 1 0.002967754 2.7599927e-06
587 CL P 1 0.011365468 1.8424721e-05
588 CL AR 1 0.007410023 1.2272718e-05
589 CL F 1 0.0032130384 3.4111742e-06
590 BR O 1 0.007909228 8.092e-06
591 BR OM 1 0.007909228 6.9680212e-06
592 BR OA 1 0.007909228 9.928884e-06
593 BR OE 1 0.007909228 8.9012e-06
594 BR OW 1 0.008507908 1.3133316e-05
595 BR N 1 0.008208568 1.5722756e-05
596 BR NT 1 0.008208568 1.8207e-05
597 BR NL 1 0.008208568 2.4826256e-05
598 BR NR 1 0.008208568 1.4897372e-05
599 BR NZ 1 0.008208568 1.7381616e-05
600 BR NE 1 0.008208568 1.6054528e-05
601 BR C 1 0.008045594 1.7980424e-05
602 BR CH0 1 0.008142048 0.00011595836
603 BR CH1 1 0.01295477 7.97062e-05
604 BR CH2 1 0.014371646 4.7160176e-05
605 BR CH3 1 0.016305715 4.1770904e-05
606 BR CH4 1 0.01909124 4.7435304e-05
607 BR CH2r 1 0.014241932 4.2863324e-05
608 BR CR1 1 0.012347775 3.1461696e-05
609 BR HC 1 0.00152996 9.95316e-07
610 BR H 1 0 0
611 BR DUM 1 0 0
612 BR S 1 0.016616696 2.9260672e-05
613 BR CU1+ 1 0.003400835 1.8207e-06
614 BR CU2+ 1 0.003400835 3.3104372e-06
615 BR FE 1 0 0
616 BR ZN2+ 1 0.003400835 7.8621872e-07
617 BR MG2+ 1 0.001343704 4.7241096e-07
618 BR CA2+ 1 0.00527171 5.7105244e-06
619 BR P 1 0.02018882 3.8121412e-05
620 BR AR 1 0.013162645 2.5392696e-05
621 BR F 1 0.005707416 7.0578424e-06
622 BR CL 1 0.015569006 3.1647812e-05
623 CMet O 1 0.0044806276 4.4e-06
624 CMet OM 1 0.0044806276 3.78884e-06
625 CMet OA 1 0.0044806276 4.84e-06
626 CMet OE 1 0.0044806276 4.84e-06
627 CMet OW 1 0.0048197836 7.1412e-06
628 CMet N 1 0.0046502056 6.7012e-06
629 CMet NT 1 0.0046502056 6.7012e-06
630 CMet NL 1 0.0046502056 6.7012e-06
631 CMet NR 1 0.0046502056 6.7012e-06
632 CMet NZ 1 0.0046502056 6.7012e-06
633 CMet NE 1 0.0046502056 6.7012e-06
634 CMet C 1 0.0045578798 9.7768e-06
635 CMet CH0 1 0.0046125216 6.3052e-05
636 CMet CH1 1 0.007338959 4.334e-05
637 CMet CH2 1 0.0081416282 2.56432e-05
638 CMet CH3 1 0.0092372905 2.27128e-05
639 CMet CH4 1 0.010815308 2.57928e-05
640 CMet CH2r 1 0.0080681444 2.33068e-05
641 CMet CR1 1 0.0069950925 1.71072e-05
642 CMet HC 1 0.000866732 5.412e-07
643 CMet H 1 0 0
644 CMet DUM 1 0 0
645 CMet S 1 0.0094134632 1.59104e-05
646 CMet CU1+ 1 0.0019265945 3.14996e-07
647 CMet CU2+ 1 0.0019265945 3.14996e-07
648 CMet FE 1 0 0
649 CMet ZN2+ 1 0.0019265945 4.27504e-07
650 CMet MG2+ 1 0.0007612168 2.56872e-07
651 CMet CA2+ 1 0.002986457 3.10508e-06
652 CMet P 1 0.011437094 2.07284e-05
653 CMet AR 1 0.0074567215 1.38072e-05
654 CMet F 1 0.0032332872 3.83768e-06
655 CMet CL 1 0.0088199402 1.72084e-05
656 CMet BR 1 0.015667123 3.56048e-05
657 OMet O 1 0.0022619536 1.72325e-06
658 OMet OM 1 0.0022619536 2.807525e-06
659 OMet OA 1 0.0022619536 1.871175e-06
660 OMet OE 1 0.0022619536 1.871175e-06
661 OMet OW 1 0.0024331696 2.475075e-06
662 OMet N 1 0.0023475616 2.963075e-06
663 OMet NT 1 0.0023475616 3.43125e-06
664 OMet NL 1 0.0023475616 4.6787e-06
665 OMet NR 1 0.0023475616 2.807525e-06
666 OMet NZ 1 0.0023475616 3.2757e-06
667 OMet NE 1 0.0023475616 3.0256e-06
668 OMet C 1 0.0023009528 3.38855e-06
669 OMet CH0 1 0.0023285376 2.185325e-05
670 OMet CH1 1 0.003704924 1.502125e-05
671 OMet CH2 1 0.0041101352 8.8877e-06
672 OMet CH3 1 0.004663258 7.87205e-06
673 OMet CH4 1 0.005459888 8.93955e-06
674 OMet CH2r 1 0.0040730384 8.077925e-06
675 OMet CR1 1 0.00353133 5.9292e-06
676 OMet HC 1 0.000437552 1.87575e-07
677 OMet H 1 0 0
678 OMet DUM 1 0 0
679 OMet S 1 0.0047521952 5.5144e-06
680 OMet CU1+ 1 0.000972602 3.43125e-07
681 OMet CU2+ 1 0.000972602 6.238775e-07
682 OMet FE 1 0 0
683 OMet ZN2+ 1 0.000972602 1.48169e-07
684 OMet MG2+ 1 0.0003842848 8.90295e-08
685 OMet CA2+ 1 0.001507652 1.0761925e-06
686 OMet P 1 0.005773784 7.184275e-06
687 OMet AR 1 0.003764374 4.78545e-06
688 OMet F 1 0.0016322592 1.871175e-06
689 OMet CL 1 0.0044525672 5.964275e-06
690 OMet BR 1 0.007909228 1.23403e-05
691 OMet CMet 1 0.0044806276 6.71e-06
692 NA+ O 1 0.00040373684 1.6385e-07
693 NA+ OM 1 0.00040373684 4.4486e-07
694 NA+ OA 1 0.00040373684 1.77915e-07
695 NA+ OE 1 0.00040373684 1.77915e-07
696 NA+ OW 1 0.00043429724 2.35335e-07
697 NA+ N 1 0.00041901704 2.20835e-07
698 NA+ NT 1 0.00041901704 2.20835e-07
699 NA+ NL 1 0.00041901704 2.20835e-07
700 NA+ NR 1 0.00041901704 2.66945e-07
701 NA+ NZ 1 0.00041901704 2.20835e-07
702 NA+ NE 1 0.00041901704 2.20835e-07
703 NA+ C 1 0.00041069782 3.2219e-07
704 NA+ CH0 1 0.00041562144 2.07785e-06
705 NA+ CH1 1 0.0006612931 1.42825e-06
706 NA+ CH2 1 0.00073361938 8.4506e-07
707 NA+ CH3 1 0.00083234645 7.4849e-07
708 NA+ CH4 1 0.0009745372 8.4999e-07
709 NA+ CH2r 1 0.00072699796 7.68065e-07
710 NA+ CR1 1 0.00063030825 5.6376e-07
711 NA+ HC 1 7.80988e-05 1.7835e-08
712 NA+ H 1 0 0
713 NA+ DUM 1 0 0
714 NA+ S 1 0.00084822088 5.2432e-07
715 NA+ CU1+ 1 0.00017360005 1.038055e-08
716 NA+ CU2+ 1 0.00017360005 1.038055e-08
717 NA+ FE 1 0 0
718 NA+ ZN2+ 1 0.00017360005 1.40882e-08
719 NA+ MG2+ 1 6.859112e-05 8.4651e-09
720 NA+ CA2+ 1 0.0002691013 1.023265e-07
721 NA+ P 1 0.0010305646 6.83095e-07
722 NA+ AR 1 0.00067190435 4.5501e-07
723 NA+ F 1 0.00029134248 1.77915e-07
724 NA+ CL 1 0.00079474018 5.67095e-07
725 NA+ BR 1 0.0014117207 1.17334e-06
726 NA+ CMet 1 0.00079974869 6.38e-07
727 NA+ OMet 1 0.00040373684 2.21125e-07
728 CL- O 1 0.0055883 1.034e-05
729 CL- OM 1 0.0055883 8.903774e-06
730 CL- OA 1 0.0055883 1.268718e-05
731 CL- OE 1 0.0055883 1.1374e-05
732 CL- OW 1 0.0060113 1.678182e-05
733 CL- N 1 0.0057998 2.009062e-05
734 CL- NT 1 0.0057998 2.3265e-05
735 CL- NL 1 0.0057998 3.172312e-05
736 CL- NR 1 0.0057998 1.903594e-05
737 CL- NZ 1 0.0057998 2.221032e-05
738 CL- NE 1 0.0057998 2.051456e-05
739 CL- C 1 0.00568465 2.297548e-05
740 CL- CH0 1 0.0057528 0.0001481722
741 CL- CH1 1 0.00915325 0.000101849
742 CL- CH2 1 0.01015435 6.026152e-05
743 CL- CH3 1 0.011520875 5.337508e-05
744 CL- CH4 1 0.013489 6.061308e-05
745 CL- CH2r 1 0.0100627 5.477098e-05
746 CL- CR1 1 0.008724375 4.020192e-05
747 CL- HC 1 0.001081 1.27182e-06
748 CL- H 1 0 0
749 CL- DUM 1 0 0
750 CL- S 1 0.0117406 3.738944e-05
751 CL- CU1+ 1 0.002402875 2.3265e-06
752 CL- CU2+ 1 0.002402875 4.230094e-06
753 CL- FE 1 0 0
754 CL- ZN2+ 1 0.002402875 1.0046344e-06
755 CL- MG2+ 1 0.0009494 6.036492e-07
756 CL- CA2+ 1 0.00372475 7.296938e-06
757 CL- P 1 0.0142645 4.871174e-05
758 CL- AR 1 0.009300125 3.244692e-05
759 CL- F 1 0.0040326 9.018548e-06
760 CL- CL 1 0.01100035 4.043974e-05
761 CL- BR 1 0.01954025 8.367128e-05
762 CL- CMet 1 0.011069675 4.5496e-05
763 CL- OMet 1 0.0055883 1.57685e-05
764 CL- NA+ 1 0.0009974575 1.4993e-06
765 CChl O 1 0.0024394475 2.016e-06
766 CChl OM 1 0.0024394475 1.7359776e-06
767 CChl OA 1 0.0024394475 2.2176e-06
768 CChl OE 1 0.0024394475 2.2176e-06
769 CChl OW 1 0.0026240987 3.271968e-06
770 CChl N 1 0.0025317731 3.070368e-06
771 CChl NT 1 0.0025317731 3.070368e-06
772 CChl NL 1 0.0025317731 3.070368e-06
773 CChl NR 1 0.0025317731 3.070368e-06
774 CChl NZ 1 0.0025317731 3.070368e-06
775 CChl NE 1 0.0025317731 3.070368e-06
776 CChl C 1 0.002481507 4.479552e-06
777 CChl CH0 1 0.0025112563 2.888928e-05
778 CChl CH1 1 0.0039956468 1.98576e-05
779 CChl CH2 1 0.0044326546 1.1749248e-05
780 CChl CH3 1 0.0050291806 1.0406592e-05
781 CChl CH4 1 0.0058883216 1.1817792e-05
782 CChl CH2r 1 0.0043926469 1.0678752e-05
783 CChl CR1 1 0.003808431 7.838208e-06
784 CChl HC 1 0.0004718864 2.47968e-07
785 CChl H 1 0 0
786 CChl DUM 1 0 0
787 CChl S 1 0.0051250966 7.289856e-06
788 CChl CU1+ 1 0.0010489214 1.4432544e-07
789 CChl CU2+ 1 0.0010489214 1.4432544e-07
790 CChl FE 1 0 0
791 CChl ZN2+ 1 0.0010489214 1.9587456e-07
792 CChl MG2+ 1 0.00041443936 1.1769408e-07
793 CChl CA2+ 1 0.0016259564 1.4226912e-06
794 CChl P 1 0.0062268488 9.497376e-06
795 CChl AR 1 0.0040597618 6.326208e-06
796 CChl F 1 0.0017603414 1.7583552e-06
797 CChl CL 1 0.004801957 7.884576e-06
798 CChl BR 1 0.0085298596 1.6313472e-05
799 CChl CMet 1 0.0048322193 8.8704e-06
800 CChl OMet 1 0.0024394475 3.0744e-06
801 CChl NA+ 1 0.00043541779 2.9232e-07
802 CChl CL- 1 0.00602681 2.084544e-05
803 CLChl O 1 0.004334666 3.7101e-06
804 CLChl OM 1 0.004334666 3.1947671e-06
805 CLChl OA 1 0.004334666 4.08111e-06
806 CLChl OE 1 0.004334666 4.08111e-06
807 CLChl OW 1 0.0046627736 6.0214923e-06
808 CLChl N 1 0.0044987198 5.6504823e-06
809 CLChl NT 1 0.0044987198 5.6504823e-06
810 CLChl NL 1 0.0044987198 5.6504823e-06
811 CLChl NR 1 0.0044987198 5.6504823e-06
812 CLChl NZ 1 0.0044987198 5.6504823e-06
813 CLChl NE 1 0.0044987198 5.6504823e-06
814 CLChl C 1 0.0044094016 8.2438422e-06
815 CLChl CH0 1 0.0044622634 5.3165733e-05
816 CLChl CH1 1 0.0070998839 3.6544485e-05
817 CLChl CH2 1 0.0078764052 2.1622463e-05
818 CLChl CH3 1 0.0089363751 1.9151536e-05
819 CLChl CH4 1 0.010462987 2.1748606e-05
820 CLChl CH2r 1 0.0078053152 1.96524e-05
821 CLChl CR1 1 0.0067672192 1.4424869e-05
822 CLChl HC 1 0.0008384972 4.563423e-07
823 CLChl H 1 0 0
824 CLChl DUM 1 0 0
825 CLChl S 1 0.0091068087 1.3415722e-05
826 CLChl CU1+ 1 0.0018638335 2.6560606e-07
827 CLChl CU2+ 1 0.0018638335 2.6560606e-07
828 CLChl FE 1 0 0
829 CLChl ZN2+ 1 0.0018638335 3.6047332e-07
830 CLChl MG2+ 1 0.00073641928 2.1659564e-07
831 CLChl CA2+ 1 0.0028891697 2.6182176e-06
832 CLChl P 1 0.011064517 1.7478281e-05
833 CLChl AR 1 0.0072138101 1.1642294e-05
834 CLChl F 1 0.0031279591 3.2359492e-06
835 CLChl CL 1 0.0085326204 1.4510201e-05
836 CLChl BR 1 0.015156748 3.0022129e-05
837 CLChl CMet 1 0.0085863936 1.632444e-05
838 CLChl OMet 1 0.004334666 5.6579025e-06
839 CLChl NA+ 1 0.00077369595 5.379645e-07
840 CLChl CL- 1 0.010709067 3.8362434e-05
841 CLChl CChl 1 0.0046754 7.4813e-06
842 HChl O 1 0.0002920184 6.5574e-08
843 HChl OM 1 0.0002920184 5.6465771e-08
844 HChl OA 1 0.0002920184 7.21314e-08
845 HChl OE 1 0.0002920184 7.21314e-08
846 HChl OW 1 0.0003141224 1.064266e-07
847 HChl N 1 0.0003030704 9.9869202e-08
848 HChl NT 1 0.0003030704 9.9869202e-08
849 HChl NL 1 0.0003030704 9.9869202e-08
850 HChl NR 1 0.0003030704 9.9869202e-08
851 HChl NZ 1 0.0003030704 9.9869202e-08
852 HChl NE 1 0.0003030704 9.9869202e-08
853 HChl C 1 0.0002970532 1.4570543e-07
854 HChl CH0 1 0.0003006144 9.3967542e-07
855 HChl CH1 1 0.000478306 6.459039e-07
856 HChl CH2 1 0.0005306188 3.8216527e-07
857 HChl CH3 1 0.000602027 3.3849299e-07
858 HChl CH4 1 0.000704872 3.8439479e-07
859 HChl CH2r 1 0.0005258296 3.4734548e-07
860 HChl CR1 1 0.000455895 2.5495171e-07
861 HChl HC 1 5.6488e-05 8.065602e-09
862 HChl H 1 0 0
863 HChl DUM 1 0 0
864 HChl S 1 0.0006135088 2.3711558e-07
865 HChl CU1+ 1 0.000125563 4.6944427e-09
866 HChl CU2+ 1 0.000125563 4.6944427e-09
867 HChl FE 1 0 0
868 HChl ZN2+ 1 0.000125563 6.3711698e-09
869 HChl MG2+ 1 4.96112e-05 3.8282101e-09
870 HChl CA2+ 1 0.000194638 4.6275572e-08
871 HChl P 1 0.000745396 3.0891911e-07
872 HChl AR 1 0.000485981 2.0577121e-07
873 HChl F 1 0.0002107248 5.7193643e-08
874 HChl CL 1 0.0005748268 2.5645991e-07
875 HChl BR 1 0.001021082 5.3062481e-07
876 HChl CMet 1 0.0005784494 2.885256e-07
877 HChl OMet 1 0.0002920184 1.0000035e-07
878 HChl NA+ 1 5.212246e-05 9.50823e-09
879 HChl CL- 1 0.00072145 6.7803516e-07
880 HChl CChl 1 0.0003622 0.1745e-06
881 HChl CLChl 1 0.0006493 0.3266e-06
882 SDmso O 1 0.0048877412 4.6366e-06
883 SDmso OM 1 0.0048877412 3.9925763e-06
884 SDmso OA 1 0.0048877412 5.10026e-06
885 SDmso OE 1 0.0048877412 5.10026e-06
886 SDmso OW 1 0.0052577132 7.5252018e-06
887 SDmso N 1 0.0050727272 7.0615418e-06
888 SDmso NT 1 0.0050727272 7.0615418e-06
889 SDmso NL 1 0.0050727272 7.0615418e-06
890 SDmso NR 1 0.0050727272 7.0615418e-06
891 SDmso NZ 1 0.0050727272 7.0615418e-06
892 SDmso NE 1 0.0050727272 7.0615418e-06
893 SDmso C 1 0.0049720126 1.0302525e-05
894 SDmso CH0 1 0.0050316192 6.6442478e-05
895 SDmso CH1 1 0.008005783 4.567051e-05
896 SDmso CH2 1 0.0088813834 2.7022105e-05
897 SDmso CH3 1 0.010076599 2.3934129e-05
898 SDmso CH4 1 0.011797996 2.7179749e-05
899 SDmso CH2r 1 0.0088012228 2.456007e-05
900 SDmso CR1 1 0.0076306725 1.8027101e-05
901 SDmso HC 1 0.000945484 5.703018e-07
902 SDmso H 1 0 0
903 SDmso DUM 1 0 0
904 SDmso S 1 0.010268778 1.6765946e-05
905 SDmso CU1+ 1 0.0021016465 3.3193419e-07
906 SDmso CU2+ 1 0.0021016465 3.3193419e-07
907 SDmso FE 1 0 0
908 SDmso ZN2+ 1 0.0021016465 4.5049206e-07
909 SDmso MG2+ 1 0.0008303816 2.7068471e-07
910 SDmso CA2+ 1 0.003257809 3.2720486e-06
911 SDmso P 1 0.012476278 2.1843023e-05
912 SDmso AR 1 0.0081342455 1.4549651e-05
913 SDmso F 1 0.0035270664 4.0440425e-06
914 SDmso CL 1 0.0096213274 1.8133743e-05
915 SDmso BR 1 0.017090651 3.7519367e-05
916 SDmso CMet 1 0.0096819617 2.040104e-05
917 SDmso OMet 1 0.0048877412 7.070815e-06
918 SDmso NA+ 1 0.00087241453 6.72307e-07
919 SDmso CL- 1 0.012075475 4.7942444e-05
920 SDmso CChl 1 0.0052712788 9.3473856e-06
921 SDmso CLChl 1 0.0093665606 1.720225e-05
922 SDmso HChl 1 0.0006310078 3.0404041e-07
923 CDmso O 1 0.004663258 5.162e-06
924 CDmso OM 1 0.004663258 4.4449982e-06
925 CDmso OA 1 0.004663258 5.6782e-06
926 CDmso OE 1 0.004663258 5.6782e-06
927 CDmso OW 1 0.005016238 8.377926e-06
928 CDmso N 1 0.004839748 7.861726e-06
929 CDmso NT 1 0.004839748 7.861726e-06
930 CDmso NL 1 0.004839748 7.861726e-06
931 CDmso NR 1 0.004839748 7.861726e-06
932 CDmso NZ 1 0.004839748 7.861726e-06
933 CDmso NE 1 0.004839748 7.861726e-06
934 CDmso C 1 0.004743659 1.1469964e-05
935 CDmso CH0 1 0.004800528 7.397146e-05
936 CDmso CH1 1 0.007638095 5.08457e-05
937 CDmso CH2 1 0.008473481 3.0084136e-05
938 CDmso CH3 1 0.0096138025 2.6646244e-05
939 CDmso CH4 1 0.01125614 3.0259644e-05
940 CDmso CH2r 1 0.008397002 2.7343114e-05
941 CDmso CR1 1 0.0072802125 2.0069856e-05
942 CDmso HC 1 0.00090206 6.34926e-07
943 CDmso H 1 0 0
944 CDmso DUM 1 0 0
945 CDmso S 1 0.009797156 1.8665792e-05
946 CDmso CU1+ 1 0.0020051225 3.6954758e-07
947 CDmso CU2+ 1 0.0020051225 3.6954758e-07
948 CDmso FE 1 0 0
949 CDmso ZN2+ 1 0.0020051225 5.0153992e-07
950 CDmso MG2+ 1 0.000792244 3.0135756e-07
951 CDmso CA2+ 1 0.003108185 3.6428234e-06
952 CDmso P 1 0.01190327 2.4318182e-05
953 CDmso AR 1 0.0077606575 1.6198356e-05
954 CDmso F 1 0.003365076 4.5022964e-06
955 CDmso CL 1 0.009179441 2.0188582e-05
956 CDmso BR 1 0.016305715 4.1770904e-05
957 CDmso CMet 1 0.0092372905 2.27128e-05
958 CDmso OMet 1 0.004663258 7.87205e-06
959 CDmso NA+ 1 0.00083234645 7.4849e-07
960 CDmso CL- 1 0.011520875 5.337508e-05
961 CDmso CChl 1 0.0050291806 1.0406592e-05
962 CDmso CLChl 1 0.0089363751 1.9151536e-05
963 CDmso HChl 1 0.000602027 3.3849299e-07
964 CDmso SDmso 1 0.010076599 2.3934129e-05
965 ODmso O 1 0.0022663291 8.6686e-07
966 ODmso OM 1 0.0022663291 7.4645315e-07
967 ODmso OA 1 0.0022663291 1.380375e-06
968 ODmso OE 1 0.0022663291 9.53546e-07
969 ODmso OW 1 0.0024378763 1.825875e-06
970 ODmso N 1 0.0023521027 2.185875e-06
971 ODmso NT 1 0.0023521027 2.53125e-06
972 ODmso NL 1 0.0023521027 3.4515e-06
973 ODmso NR 1 0.0023521027 2.071125e-06
974 ODmso NZ 1 0.0023521027 2.4165e-06
975 ODmso NE 1 0.0023521027 2.232e-06
976 ODmso C 1 0.0023054038 1.9261629e-06
977 ODmso CH0 1 0.0023330419 1.2422104e-05
978 ODmso CH1 1 0.0037120908 8.538571e-06
979 ODmso CH2 1 0.0041180858 5.0520601e-06
980 ODmso CH3 1 0.0046722786 4.4747313e-06
981 ODmso CH4 1 0.0054704496 5.0815333e-06
982 ODmso CH2r 1 0.0040809173 4.5917574e-06
983 ODmso CR1 1 0.003538161 3.3703517e-06
984 ODmso HC 1 0.0004383984 1.0662378e-07
985 ODmso H 1 0 0
986 ODmso DUM 1 0 0
987 ODmso S 1 0.0047613878 3.1345658e-06
988 ODmso CU1+ 1 0.0009744834 2.53125e-07
989 ODmso CU2+ 1 0.0009744834 4.602375e-07
990 ODmso FE 1 0 0
991 ODmso ZN2+ 1 0.0009744834 1.09305e-07
992 ODmso MG2+ 1 0.00038502816 6.56775e-08
993 ODmso CA2+ 1 0.0015105684 7.939125e-07
994 ODmso P 1 0.0057849528 5.299875e-06
995 ODmso AR 1 0.0037716558 2.7202067e-06
996 ODmso F 1 0.0016354166 7.5607529e-07
997 ODmso CL 1 0.0044611802 3.3902895e-06
998 ODmso BR 1 0.0079245276 7.0146311e-06
999 ODmso CMet 1 0.0044892949 3.814184e-06
1000 ODmso OMet 1 0.0022663291 1.715625e-06
1001 ODmso NA+ 1 0.00040451783 1.63125e-07
1002 ODmso CL- 1 0.00559911 8.9633324e-06
1003 ODmso CChl 1 0.0024441664 1.7475898e-06
1004 ODmso CLChl 1 0.0043430509 3.2161373e-06
1005 ODmso HChl 1 0.00029258328 5.6843478e-08
1006 ODmso SDmso 1 0.004897196 4.0192831e-06
1007 ODmso CDmso 1 0.0046722786 4.4747313e-06
1008 CCl4 O 1 0.0024394475 2.7568e-06
1009 CCl4 OM 1 0.0024394475 2.3738805e-06
1010 CCl4 OA 1 0.0024394475 3.03248e-06
1011 CCl4 OE 1 0.0024394475 3.03248e-06
1012 CCl4 OW 1 0.0026240987 4.4742864e-06
1013 CCl4 N 1 0.0025317731 4.1986064e-06
1014 CCl4 NT 1 0.0025317731 4.1986064e-06
1015 CCl4 NL 1 0.0025317731 4.1986064e-06
1016 CCl4 NR 1 0.0025317731 4.1986064e-06
1017 CCl4 NZ 1 0.0025317731 4.1986064e-06
1018 CCl4 NE 1 0.0025317731 4.1986064e-06
1019 CCl4 C 1 0.002481507 6.1256096e-06
1020 CCl4 CH0 1 0.0025112563 3.9504944e-05
1021 CCl4 CH1 1 0.0039956468 2.715448e-05
1022 CCl4 CH2 1 0.0044326546 1.606663e-05
1023 CCl4 CH3 1 0.0050291806 1.4230602e-05
1024 CCl4 CH4 1 0.0058883216 1.6160362e-05
1025 CCl4 CH2r 1 0.0043926469 1.460277e-05
1026 CCl4 CR1 1 0.003808431 1.0718438e-05
1027 CCl4 HC 1 0.0004718864 3.390864e-07
1028 CCl4 H 1 0 0
1029 CCl4 DUM 1 0 0
1030 CCl4 S 1 0.0051250966 9.9685888e-06
1031 CCl4 CU1+ 1 0.0010489214 1.9735931e-07
1032 CCl4 CU2+ 1 0.0010489214 1.9735931e-07
1033 CCl4 FE 1 0 0
1034 CCl4 ZN2+ 1 0.0010489214 2.6785069e-07
1035 CCl4 MG2+ 1 0.00041443936 1.6094198e-07
1036 CCl4 CA2+ 1 0.0016259564 1.9454738e-06
1037 CCl4 P 1 0.0062268488 1.2987285e-05
1038 CCl4 AR 1 0.0040597618 8.6508384e-06
1039 CCl4 F 1 0.0017603414 2.404481e-06
1040 CCl4 CL 1 0.004801957 1.0781845e-05
1041 CCl4 BR 1 0.0085298596 2.2308026e-05
1042 CCl4 CMet 1 0.0048322193 1.212992e-05
1043 CCl4 OMet 1 0.0024394475 4.20412e-06
1044 CCl4 NA+ 1 0.00043541779 3.99736e-07
1045 CCl4 CL- 1 0.00602681 2.8505312e-05
1046 CCl4 CChl 1 0.0026308693 5.5577088e-06
1047 CCl4 CLChl 1 0.0046748042 1.0228004e-05
1048 CCl4 HChl 1 0.00031493288 1.807744e-07
1049 CCl4 SDmso 1 0.0052712788 1.2782179e-05
1050 CCl4 CDmso 1 0.0050291806 1.4230602e-05
1051 CCl4 ODmso 1 0.0024441664 2.3897596e-06
1052 CLCl4 O 1 0.0041472796 3.5732e-06
1053 CLCl4 OM 1 0.0041472796 3.0768825e-06
1054 CLCl4 OA 1 0.0041472796 3.93052e-06
1055 CLCl4 OE 1 0.0041472796 3.93052e-06
1056 CLCl4 OW 1 0.0044612032 5.7993036e-06
1057 CLCl4 N 1 0.0043042414 5.4419836e-06
1058 CLCl4 NT 1 0.0043042414 5.4419836e-06
1059 CLCl4 NL 1 0.0043042414 5.4419836e-06
1060 CLCl4 NR 1 0.0043042414 5.4419836e-06
1061 CLCl4 NZ 1 0.0043042414 5.4419836e-06
1062 CLCl4 NE 1 0.0043042414 5.4419836e-06
1063 CLCl4 C 1 0.0042187844 7.9396504e-06
1064 CLCl4 CH0 1 0.004269361 5.1203956e-05
1065 CLCl4 CH1 1 0.0067929579 3.519602e-05
1066 CLCl4 CH2 1 0.0075359104 2.082461e-05
1067 CLCl4 CH3 1 0.008550058 1.8444858e-05
1068 CLCl4 CH4 1 0.010010675 2.0946098e-05
1069 CLCl4 CH2r 1 0.0074678936 1.892724e-05
1070 CLCl4 CR1 1 0.0064746742 1.3892602e-05
1071 CLCl4 HC 1 0.0008022492 4.395036e-07
1072 CLCl4 H 1 0 0
1073 CLCl4 DUM 1 0 0
1074 CLCl4 S 1 0.0087131239 1.2920691e-05
1075 CLCl4 CU1+ 1 0.0017832604 2.5580539e-07
1076 CLCl4 CU2+ 1 0.0017832604 2.5580539e-07
1077 CLCl4 FE 1 0 0
1078 CLCl4 ZN2+ 1 0.0017832604 3.4717211e-07
1079 CLCl4 MG2+ 1 0.00070458408 2.0860342e-07
1080 CLCl4 CA2+ 1 0.0027642717 2.5216072e-06
1081 CLCl4 P 1 0.010586201 1.6833345e-05
1082 CLCl4 AR 1 0.0069019592 1.1212702e-05
1083 CLCl4 F 1 0.0029927383 3.116545e-06
1084 CLCl4 CL 1 0.0081637576 1.3974785e-05
1085 CLCl4 BR 1 0.014501526 2.8914334e-05
1086 CLCl4 CMet 1 0.0082152062 1.572208e-05
1087 CLCl4 OMet 1 0.0041472796 5.44913e-06
1088 CLCl4 NA+ 1 0.00074024929 5.18114e-07
1089 CLCl4 CL- 1 0.010246117 3.6946888e-05
1090 CLCl4 CChl 1 0.0044727137 7.2035712e-06
1091 CLCl4 CLChl 1 0.0079475863 1.3256929e-05
1092 CLCl4 HChl 1 0.00053541414 2.3430902e-07
1093 CLCl4 SDmso 1 0.0089616468 1.6567499e-05
1094 CLCl4 CDmso 1 0.008550058 1.8444858e-05
1095 CLCl4 ODmso 1 0.0041553021 3.0974642e-06
1096 CLCl4 CCl4 1 0.0044727137 9.8505978e-06
1097 FTFE O 1 0.0016322592 1e-06
1098 FTFE OM 1 0.0016322592 8.611e-07
1099 FTFE OA 1 0.0016322592 1.227e-06
1100 FTFE OE 1 0.0016322592 1.1e-06
1101 FTFE OW 1 0.0017558112 1.623e-06
1102 FTFE N 1 0.0016940352 1.943e-06
1103 FTFE NT 1 0.0016940352 2.25e-06
1104 FTFE NL 1 0.0016940352 3.068e-06
1105 FTFE NR 1 0.0016940352 1.841e-06
1106 FTFE NZ 1 0.0016940352 2.148e-06
1107 FTFE NE 1 0.0016940352 1.984e-06
1108 FTFE C 1 0.0016604016 2.222e-06
1109 FTFE CH0 1 0.0016803072 1.433e-05
1110 FTFE CH1 1 0.002673528 9.85e-06
1111 FTFE CH2 1 0.0029659344 5.828e-06
1112 FTFE CH3 1 0.003365076 5.162e-06
1113 FTFE CH4 1 0.003939936 5.862e-06
1114 FTFE CH2r 1 0.0029391648 5.297e-06
1115 FTFE CR1 1 0.00254826 3.888e-06
1116 FTFE HC 1 0.000315744 1.23e-07
1117 FTFE H 1 0 0
1118 FTFE DUM 1 0 0
1119 FTFE S 1 0.0034292544 3.616e-06
1120 FTFE CU1+ 1 0.000701844 2.25e-07
1121 FTFE CU2+ 1 0.000701844 4.091e-07
1122 FTFE FE 1 0 0
1123 FTFE ZN2+ 1 0.000701844 9.716e-08
1124 FTFE MG2+ 1 0.0002773056 5.838e-08
1125 FTFE CA2+ 1 0.001087944 7.057e-07
1126 FTFE P 1 0.004166448 4.711e-06
1127 FTFE AR 1 0.002716428 3.138e-06
1128 FTFE F 1 0.0011778624 8.722e-07
1129 FTFE CL 1 0.0032130384 3.911e-06
1130 FTFE BR 1 0.005707416 8.092e-06
1131 FTFE CMet 1 0.0032332872 4.4e-06
1132 FTFE OMet 1 0.0016322592 1.525e-06
1133 FTFE NA+ 1 0.00029134248 1.45e-07
1134 FTFE CL- 1 0.0040326 1.034e-05
1135 FTFE CChl 1 0.0017603414 2.016e-06
1136 FTFE CLChl 1 0.0031279591 3.7101e-06
1137 FTFE HChl 1 0.0002107248 6.5574e-08
1138 FTFE SDmso 1 0.0035270664 4.6366e-06
1139 FTFE CDmso 1 0.003365076 5.162e-06
1140 FTFE ODmso 1 0.0016354166 8.6686e-07
1141 FTFE CCl4 1 0.0017603414 2.7568e-06
1142 FTFE CLCl4 1 0.0029927383 3.5732e-06
1143 CTFE O 1 0.0023009528 1.837e-06
1144 CTFE OM 1 0.0023009528 1.5818407e-06
1145 CTFE OA 1 0.0023009528 2.0207e-06
1146 CTFE OE 1 0.0023009528 2.0207e-06
1147 CTFE OW 1 0.0024751208 2.981451e-06
1148 CTFE N 1 0.0023880368 2.797751e-06
1149 CTFE NT 1 0.0023880368 2.797751e-06
1150 CTFE NL 1 0.0023880368 2.797751e-06
1151 CTFE NR 1 0.0023880368 2.797751e-06
1152 CTFE NZ 1 0.0023880368 2.797751e-06
1153 CTFE NE 1 0.0023880368 2.797751e-06
1154 CTFE C 1 0.0023406244 4.081814e-06
1155 CTFE CH0 1 0.0023686848 2.632421e-05
1156 CTFE CH1 1 0.003768802 1.809445e-05
1157 CTFE CH2 1 0.0041809996 1.0706036e-05
1158 CTFE CH3 1 0.004743659 9.482594e-06
1159 CTFE CH4 1 0.005554024 1.0768494e-05
1160 CTFE CH2r 1 0.0041432632 9.730589e-06
1161 CTFE CR1 1 0.003592215 7.142256e-06
1162 CTFE HC 1 0.000445096 2.25951e-07
1163 CTFE H 1 0 0
1164 CTFE DUM 1 0 0
1165 CTFE S 1 0.0048341296 6.642592e-06
1166 CTFE CU1+ 1 0.000989371 1.3151083e-07
1167 CTFE CU2+ 1 0.000989371 1.3151083e-07
1168 CTFE FE 1 0 0
1169 CTFE ZN2+ 1 0.000989371 1.7848292e-07
1170 CTFE MG2+ 1 0.0003909104 1.0724406e-07
1171 CTFE CA2+ 1 0.001533646 1.2963709e-06
1172 CTFE P 1 0.005873332 8.654107e-06
1173 CTFE AR 1 0.003829277 5.764506e-06
1174 CTFE F 1 0.0016604016 1.6022314e-06
1175 CTFE CL 1 0.0045293356 7.184507e-06
1176 CTFE BR 1 0.008045594 1.4865004e-05
1177 CTFE CMet 1 0.0045578798 8.0828e-06
1178 CTFE OMet 1 0.0023009528 2.801425e-06
1179 CTFE NA+ 1 0.00041069782 2.66365e-07
1180 CTFE CL- 1 0.00568465 1.899458e-05
1181 CTFE CChl 1 0.002481507 3.703392e-06
1182 CTFE CLChl 1 0.0044094016 6.8154537e-06
1183 CTFE HChl 1 0.0002970532 1.2045944e-07
1184 CTFE SDmso 1 0.0049720126 8.5174342e-06
1185 CTFE CDmso 1 0.004743659 9.482594e-06
1186 CTFE ODmso 1 0.0023054038 1.5924218e-06
1187 CTFE CCl4 1 0.002481507 5.0642416e-06
1188 CTFE CLCl4 1 0.0042187844 6.5639684e-06
1189 CTFE FTFE 1 0.0016604016 1.837e-06
1190 CHTFE O 1 0.0040088324 5.077e-06
1191 CHTFE OM 1 0.0040088324 4.3718047e-06
1192 CHTFE OA 1 0.0040088324 5.5847e-06
1193 CHTFE OE 1 0.0040088324 5.5847e-06
1194 CHTFE OW 1 0.0043122764 8.239971e-06
1195 CHTFE N 1 0.0041605544 7.732271e-06
1196 CHTFE NT 1 0.0041605544 7.732271e-06
1197 CHTFE NL 1 0.0041605544 7.732271e-06
1198 CHTFE NR 1 0.0041605544 7.732271e-06
1199 CHTFE NZ 1 0.0041605544 7.732271e-06
1200 CHTFE NE 1 0.0041605544 7.732271e-06
1201 CHTFE C 1 0.0040779502 1.1281094e-05
1202 CHTFE CH0 1 0.0041268384 7.275341e-05
1203 CHTFE CH1 1 0.006566191 5.000845e-05
1204 CHTFE CH2 1 0.0072843418 2.9588756e-05
1205 CHTFE CH3 1 0.0082646345 2.6207474e-05
1206 CHTFE CH4 1 0.009676492 2.9761374e-05
1207 CHTFE CH2r 1 0.0072185956 2.6892869e-05
1208 CHTFE CR1 1 0.0062585325 1.9739376e-05
1209 CHTFE HC 1 0.000775468 6.24471e-07
1210 CHTFE H 1 0 0
1211 CHTFE DUM 1 0 0
1212 CHTFE S 1 0.0084222568 1.8358432e-05
1213 CHTFE CU1+ 1 0.0017237305 3.6346243e-07
1214 CHTFE CU2+ 1 0.0017237305 3.6346243e-07
1215 CHTFE FE 1 0 0
1216 CHTFE ZN2+ 1 0.0017237305 4.9328132e-07
1217 CHTFE MG2+ 1 0.0006810632 2.9639526e-07
1218 CHTFE CA2+ 1 0.002671993 3.5828389e-06
1219 CHTFE P 1 0.010232806 2.3917747e-05
1220 CHTFE AR 1 0.0066715535 1.5931626e-05
1221 CHTFE F 1 0.0028928328 4.4281594e-06
1222 CHTFE CL 1 0.0078912298 1.9856147e-05
1223 CHTFE BR 1 0.014017427 4.1083084e-05
1224 CHTFE CMet 1 0.0079409609 2.23388e-05
1225 CHTFE OMet 1 0.0040088324 7.742425e-06
1226 CHTFE NA+ 1 0.00071553781 7.36165e-07
1227 CHTFE CL- 1 0.009904075 5.249618e-05
1228 CHTFE CChl 1 0.0043234027 1.0235232e-05
1229 CHTFE CLChl 1 0.0076822749 1.8836178e-05
1230 CHTFE HChl 1 0.0005175406 3.329192e-07
1231 CHTFE SDmso 1 0.0086624833 2.3540018e-05
1232 CHTFE CDmso 1 0.0082646345 2.6207474e-05
1233 CHTFE ODmso 1 0.0040165871 4.4010482e-06
1234 CHTFE CCl4 1 0.0043234027 1.3996274e-05
1235 CHTFE CLCl4 1 0.0073501723 1.8141136e-05
1236 CHTFE FTFE 1 0.0028928328 5.077e-06
1237 CHTFE CTFE 1 0.0040779502 9.326449e-06
1238 OTFE O 1 0.0022619536 1.227e-06
1239 OTFE OM 1 0.0022619536 1.0565697e-06
1240 OTFE OA 1 0.0022619536 1.505529e-06
1241 OTFE OE 1 0.0022619536 1.3497e-06
1242 OTFE OW 1 0.0024331696 1.991421e-06
1243 OTFE N 1 0.0023475616 1.868721e-06
1244 OTFE NT 1 0.0023475616 2.76075e-06
1245 OTFE NL 1 0.0023475616 1.868721e-06
1246 OTFE NR 1 0.0023475616 2.258907e-06
1247 OTFE NZ 1 0.0023475616 1.868721e-06
1248 OTFE NE 1 0.0023475616 1.868721e-06
1249 OTFE C 1 0.0023009528 2.726394e-06
1250 OTFE CH0 1 0.0023285376 1.758291e-05
1251 OTFE CH1 1 0.003704924 1.208595e-05
1252 OTFE CH2 1 0.0041101352 7.150956e-06
1253 OTFE CH3 1 0.004663258 6.333774e-06
1254 OTFE CH4 1 0.005459888 7.192674e-06
1255 OTFE CH2r 1 0.0040730384 6.499419e-06
1256 OTFE CR1 1 0.00353133 4.770576e-06
1257 OTFE HC 1 0.000437552 1.50921e-07
1258 OTFE H 1 0 0
1259 OTFE DUM 1 0 0
1260 OTFE S 1 0.0047521952 4.436832e-06
1261 OTFE CU1+ 1 0.000972602 8.784093e-08
1262 OTFE CU2+ 1 0.000972602 8.784093e-08
1263 OTFE FE 1 0 0
1264 OTFE ZN2+ 1 0.000972602 1.1921532e-07
1265 OTFE MG2+ 1 0.0003842848 7.163226e-08
1266 OTFE CA2+ 1 0.001507652 8.658939e-07
1267 OTFE P 1 0.005773784 5.780397e-06
1268 OTFE AR 1 0.003764374 3.850326e-06
1269 OTFE F 1 0.0016322592 1.0701894e-06
1270 OTFE CL 1 0.0044525672 4.798797e-06
1271 OTFE BR 1 0.007909228 9.928884e-06
1272 OTFE CMet 1 0.0044806276 5.3988e-06
1273 OTFE OMet 1 0.0022619536 1.871175e-06
1274 OTFE NA+ 1 0.00040373684 1.77915e-07
1275 OTFE CL- 1 0.0055883 1.268718e-05
1276 OTFE CChl 1 0.0024394475 2.473632e-06
1277 OTFE CLChl 1 0.004334666 4.5522927e-06
1278 OTFE HChl 1 0.0002920184 8.0459298e-08
1279 OTFE SDmso 1 0.0048877412 5.6891082e-06
1280 OTFE CDmso 1 0.004663258 6.333774e-06
1281 OTFE ODmso 1 0.0022663291 1.380375e-06
1282 OTFE CCl4 1 0.0024394475 3.3825936e-06
1283 OTFE CLCl4 1 0.0041472796 4.3843164e-06
1284 OTFE FTFE 1 0.0016322592 1.227e-06
1285 OTFE CTFE 1 0.0023009528 2.253999e-06
1286 OTFE CHTFE 1 0.0040088324 6.229479e-06
1287 CUrea O 1 0.0033247294 3.6864e-06
1288 CUrea OM 1 0.0033247294 3.174359e-06
1289 CUrea OA 1 0.0033247294 4.05504e-06
1290 CUrea OE 1 0.0033247294 4.05504e-06
1291 CUrea OW 1 0.003576391 5.9830272e-06
1292 CUrea N 1 0.0034505602 5.6143872e-06
1293 CUrea NT 1 0.0034505602 5.6143872e-06
1294 CUrea NL 1 0.0034505602 5.6143872e-06
1295 CUrea NR 1 0.0034505602 5.6143872e-06
1296 CUrea NZ 1 0.0034505602 5.6143872e-06
1297 CUrea NE 1 0.0034505602 5.6143872e-06
1298 CUrea C 1 0.0033820523 8.1911808e-06
1299 CUrea CH0 1 0.0034225978 5.2826112e-05
1300 CUrea CH1 1 0.0054456774 3.631104e-05
1301 CUrea CH2 1 0.0060412765 2.1484339e-05
1302 CUrea CH3 1 0.0068542833 1.9029197e-05
1303 CUrea CH4 1 0.0080252088 2.1609677e-05
1304 CUrea CH2r 1 0.0059867498 1.9526861e-05
1305 CUrea CR1 1 0.0051905205 1.4332723e-05
1306 CUrea HC 1 0.0006431352 4.534272e-07
1307 CUrea H 1 0 0
1308 CUrea DUM 1 0 0
1309 CUrea S 1 0.0069850075 1.3330022e-05
1310 CUrea CU1+ 1 0.0014295777 2.6390938e-07
1311 CUrea CU2+ 1 0.0014295777 2.6390938e-07
1312 CUrea FE 1 0 0
1313 CUrea ZN2+ 1 0.0014295777 3.5817062e-07
1314 CUrea MG2+ 1 0.00056484048 2.1521203e-07
1315 CUrea CA2+ 1 0.0022160202 2.6014925e-06
1316 CUrea P 1 0.0084865884 1.736663e-05
1317 CUrea AR 1 0.0055330599 1.1567923e-05
1318 CUrea F 1 0.0023991739 3.2152781e-06
1319 CUrea CL 1 0.0065445997 1.441751e-05
1320 CUrea BR 1 0.011625368 2.9830349e-05
1321 CUrea CMet 1 0.0065858443 1.622016e-05
1322 CUrea OMet 1 0.0033247294 5.62176e-06
1323 CUrea NA+ 1 0.00059343203 5.34528e-07
1324 CUrea CL- 1 0.008213955 3.8117376e-05
1325 CUrea CChl 1 0.0035856186 7.4317824e-06
1326 CUrea CLChl 1 0.0063713027 1.3676913e-05
1327 CUrea HChl 1 0.00042922284 2.4173199e-07
1328 CUrea SDmso 1 0.0071842396 1.7092362e-05
1329 CUrea CDmso 1 0.0068542833 1.9029197e-05
1330 CUrea ODmso 1 0.0033311607 3.1955927e-06
1331 CUrea CCl4 1 0.0035856186 1.0162668e-05
1332 CUrea CLCl4 1 0.0060958731 1.3172244e-05
1333 CUrea FTFE 1 0.0023991739 3.6864e-06
1334 CUrea CTFE 1 0.0033820523 6.7719168e-06
1335 CUrea CHTFE 1 0.0058923767 1.8715853e-05
1336 CUrea OTFE 1 0.0033247294 4.5232128e-06
1337 OUrea O 1 0.0023123672 1.2609e-06
1338 OUrea OM 1 0.0023123672 1.085761e-06
1339 OUrea OA 1 0.0023123672 1.5471243e-06
1340 OUrea OE 1 0.0023123672 1.38699e-06
1341 OUrea OW 1 0.0024873992 2.0464407e-06
1342 OUrea N 1 0.0023998832 2.4499287e-06
1343 OUrea NT 1 0.0023998832 2.837025e-06
1344 OUrea NL 1 0.0023998832 3.8684412e-06
1345 OUrea NR 1 0.0023998832 2.3213169e-06
1346 OUrea NZ 1 0.0023998832 2.7084132e-06
1347 OUrea NE 1 0.0023998832 2.5016256e-06
1348 OUrea C 1 0.0023522356 2.8017198e-06
1349 OUrea CH0 1 0.0023804352 1.8068697e-05
1350 OUrea CH1 1 0.003787498 1.2419865e-05
1351 OUrea CH2 1 0.0042017404 7.3485252e-06
1352 OUrea CH3 1 0.004767191 6.5087658e-06
1353 OUrea CH4 1 0.005581576 7.3913958e-06
1354 OUrea CH2r 1 0.0041638168 6.6789873e-06
1355 OUrea CR1 1 0.003610035 4.9023792e-06
1356 OUrea HC 1 0.000447304 1.550907e-07
1357 OUrea H 1 0 0
1358 OUrea DUM 1 0 0
1359 OUrea S 1 0.0048581104 4.5594144e-06
1360 OUrea CU1+ 1 0.000994279 2.837025e-07
1361 OUrea CU2+ 1 0.000994279 5.1583419e-07
1362 OUrea FE 1 0 0
1363 OUrea ZN2+ 1 0.000994279 1.2250904e-07
1364 OUrea MG2+ 1 0.0003928496 7.3611342e-08
1365 OUrea CA2+ 1 0.001541254 8.8981713e-07
1366 OUrea P 1 0.005902468 5.9400999e-06
1367 OUrea AR 1 0.003848273 3.9567042e-06
1368 OUrea F 1 0.0016686384 1.099757e-06
1369 OUrea CL 1 0.0045518044 4.9313799e-06
1370 OUrea BR 1 0.008085506 1.0203203e-05
1371 OUrea CMet 1 0.0045804902 5.54796e-06
1372 OUrea OMet 1 0.0023123672 1.9228725e-06
1373 OUrea NA+ 1 0.00041273518 1.828305e-07
1374 OUrea CL- 1 0.00571285 1.3037706e-05
1375 OUrea CChl 1 0.002493817 2.5419744e-06
1376 OUrea CLChl 1 0.0044312754 4.6780651e-06
1377 OUrea HChl 1 0.0002985268 8.2682257e-08
1378 OUrea SDmso 1 0.0049966774 5.8462889e-06
1379 OUrea CDmso 1 0.004767191 6.5087658e-06
1380 OUrea ODmso 1 0.0023168402 1.0930238e-06
1381 OUrea CCl4 1 0.002493817 3.4760491e-06
1382 OUrea CLCl4 1 0.0042397126 4.5054479e-06
1383 OUrea FTFE 1 0.0016686384 1.2609e-06
1384 OUrea CTFE 1 0.0023522356 2.3162733e-06
1385 OUrea CHTFE 1 0.0040981798 6.4015893e-06
1386 OUrea OTFE 1 0.0023123672 1.5471243e-06
1387 OUrea CUrea 1 0.0033988297 4.6481818e-06
1388 NUrea O 1 0.0027538667 2.246101e-06
1389 NUrea OM 1 0.0027538667 3.6593557e-06
1390 NUrea OA 1 0.0027538667 2.4389079e-06
1391 NUrea OE 1 0.0027538667 2.4389079e-06
1392 NUrea OW 1 0.0029623175 3.2260371e-06
1393 NUrea N 1 0.0028580921 3.8621011e-06
1394 NUrea NT 1 0.0028580921 4.472325e-06
1395 NUrea NL 1 0.0028580921 6.0982636e-06
1396 NUrea NR 1 0.0028580921 3.6593557e-06
1397 NUrea NZ 1 0.0028580921 4.2695796e-06
1398 NUrea NE 1 0.0028580921 3.9435968e-06
1399 NUrea C 1 0.0028013471 4.4166694e-06
1400 NUrea CH0 1 0.0028349309 2.8483741e-05
1401 NUrea CH1 1 0.0045106437 1.9578845e-05
1402 NUrea CH2 1 0.0050039773 1.1584316e-05
1403 NUrea CH3 1 0.0056773891 1.0260507e-05
1404 NUrea CH4 1 0.0066472644 1.1651897e-05
1405 NUrea CH2r 1 0.0049588129 1.0528847e-05
1406 NUrea CR1 1 0.0042992978 7.7281776e-06
1407 NUrea HC 1 0.0005327076 2.444871e-07
1408 NUrea H 1 0 0
1409 NUrea DUM 1 0 0
1410 NUrea S 1 0.0057856678 7.1875232e-06
1411 NUrea CU1+ 1 0.0011841163 1.4229944e-07
1412 NUrea CU2+ 1 0.0011841163 1.4229944e-07
1413 NUrea FE 1 0 0
1414 NUrea ZN2+ 1 0.0011841163 1.9312493e-07
1415 NUrea MG2+ 1 0.00046785624 1.1604193e-07
1416 NUrea CA2+ 1 0.0018355251 1.4027199e-06
1417 NUrea P 1 0.0070294242 9.3640547e-06
1418 NUrea AR 1 0.0045830224 6.2374026e-06
1419 NUrea F 1 0.001987231 2.4389079e-06
1420 NUrea CL 1 0.0054208789 7.7738947e-06
1421 NUrea BR 1 0.0096292689 1.6084468e-05
1422 NUrea CMet 1 0.0054550416 8.74588e-06
1423 NUrea OMet 1 0.0027538667 3.0312425e-06
1424 NUrea NA+ 1 0.00049153857 2.882165e-07
1425 NUrea CL- 1 0.0068036025 2.0552818e-05
1426 NUrea CChl 1 0.0029699607 4.0072032e-06
1427 NUrea CLChl 1 0.0052773373 7.3745658e-06
1428 NUrea HChl 1 0.00035552442 1.3034144e-07
1429 NUrea SDmso 1 0.0059506913 9.2161698e-06
1430 NUrea CDmso 1 0.0056773891 1.0260507e-05
1431 NUrea ODmso 1 0.0027591938 2.2361625e-06
1432 NUrea CCl4 1 0.0029699607 5.4796914e-06
1433 NUrea CLCl4 1 0.0050491995 7.1024496e-06
1434 NUrea FTFE 1 0.001987231 1.9877e-06
1435 NUrea CTFE 1 0.0028013471 3.6514049e-06
1436 NUrea CHTFE 1 0.0048806439 1.0091553e-05
1437 NUrea OTFE 1 0.0027538667 2.4389079e-06
1438 NUrea CUrea 1 0.0040477671 7.3274573e-06
1439 NUrea OUrea 1 0.0028152439 2.5062909e-06
1440 SI O 1 0.005773784 5.32343e-06
1441 SI OM 1 0.005773784 1.4453348e-05
1442 SI OA 1 0.005773784 5.780397e-06
1443 SI OE 1 0.005773784 5.780397e-06
1444 SI OW 1 0.006210824 7.645953e-06
1445 SI N 1 0.005992304 7.174853e-06
1446 SI NT 1 0.005992304 7.174853e-06
1447 SI NL 1 0.005992304 7.174853e-06
1448 SI NR 1 0.005992304 8.672951e-06
1449 SI NZ 1 0.005992304 7.174853e-06
1450 SI NE 1 0.005992304 7.174853e-06
1451 SI C 1 0.005873332 1.0467842e-05
1452 SI CH0 1 0.005943744 6.750863e-05
1453 SI CH1 1 0.00945706 4.640335e-05
1454 SI CH2 1 0.010491388 2.7455708e-05
1455 SI CH3 1 0.01190327 2.4318182e-05
1456 SI CH4 1 0.01393672 2.7615882e-05
1457 SI CH2r 1 0.010396696 2.4954167e-05
1458 SI CR1 1 0.00901395 1.8316368e-05
1459 SI HC 1 0.00111688 5.79453e-07
1460 SI H 1 0 0
1461 SI DUM 1 0 0
1462 SI S 1 0.012130288 1.7034976e-05
1463 SI CU1+ 1 0.00248263 3.3726049e-07
1464 SI CU2+ 1 0.00248263 3.3726049e-07
1465 SI FE 1 0 0
1466 SI ZN2+ 1 0.00248263 4.5772076e-07
1467 SI MG2+ 1 0.000980912 2.7502818e-07
1468 SI CA2+ 1 0.00384838 3.3245527e-06
1469 SI P 1 0.01473796 2.2193521e-05
1470 SI AR 1 0.00960881 1.4783118e-05
1471 SI F 1 0.004166448 5.780397e-06
1472 SI CL 1 0.011365468 1.8424721e-05
1473 SI BR 1 0.02018882 3.8121412e-05
1474 SI CMet 1 0.011437094 2.07284e-05
1475 SI OMet 1 0.005773784 7.184275e-06
1476 SI NA+ 1 0.0010305646 6.83095e-07
1477 SI CL- 1 0.0142645 4.871174e-05
1478 SI CChl 1 0.0062268488 9.497376e-06
1479 SI CLChl 1 0.011064517 1.7478281e-05
1480 SI HChl 1 0.000745396 3.0891911e-07
1481 SI SDmso 1 0.012476278 2.1843023e-05
1482 SI CDmso 1 0.01190327 2.4318182e-05
1483 SI ODmso 1 0.0057849528 5.299875e-06
1484 SI CCl4 1 0.0062268488 1.2987285e-05
1485 SI CLCl4 1 0.010586201 1.6833345e-05
1486 SI FTFE 1 0.004166448 4.711e-06
1487 SI CTFE 1 0.005873332 8.654107e-06
1488 SI CHTFE 1 0.010232806 2.3917747e-05
1489 SI OTFE 1 0.005773784 5.780397e-06
1490 SI CUrea 1 0.0084865884 1.736663e-05
1491 SI OUrea 1 0.005902468 5.9400999e-06
1492 SI NUrea 1 0.0070294242 9.3640547e-06
1494 [ pairtypes ]
1495 ; i j func c6 c12
1496 O O 1 0.0022619536 7.4149321e-07
1497 OM O 1 0.0022619536 7.4149321e-07
1498 OM OM 1 0.0022619536 7.4149321e-07
1499 OA O 1 0.0022619536 9.687375e-07
1500 OA OM 1 0.0022619536 9.687375e-07
1501 OA OA 1 0.0022619536 1.265625e-06
1502 OE O 1 0.0022619536 9.687375e-07
1503 OE OM 1 0.0022619536 9.687375e-07
1504 OE OA 1 0.0022619536 1.265625e-06
1505 OE OE 1 0.0022619536 1.265625e-06
1506 OW O 1 0.0024331696 1.3975653e-06
1507 OW OM 1 0.0024331696 1.3975653e-06
1508 OW OA 1 0.0024331696 1.825875e-06
1509 OW OE 1 0.0024331696 1.825875e-06
1510 OW OW 1 0.0026173456 2.634129e-06
1511 N O 1 0.0023475616 1.1202911e-06
1512 N OM 1 0.0023475616 1.1202911e-06
1513 N OA 1 0.0023475616 1.463625e-06
1514 N OE 1 0.0023475616 1.463625e-06
1515 N OW 1 0.0025252576 2.111523e-06
1516 N N 1 0.0024364096 1.692601e-06
1517 NT O 1 0.0023475616 1.1202911e-06
1518 NT OM 1 0.0023475616 1.1202911e-06
1519 NT OA 1 0.0023475616 1.463625e-06
1520 NT OE 1 0.0023475616 1.463625e-06
1521 NT OW 1 0.0025252576 2.111523e-06
1522 NT N 1 0.0024364096 1.692601e-06
1523 NT NT 1 0.0024364096 1.692601e-06
1524 NL O 1 0.0023475616 1.1202911e-06
1525 NL OM 1 0.0023475616 1.1202911e-06
1526 NL OA 1 0.0023475616 1.463625e-06
1527 NL OE 1 0.0023475616 1.463625e-06
1528 NL OW 1 0.0025252576 2.111523e-06
1529 NL N 1 0.0024364096 1.692601e-06
1530 NL NT 1 0.0024364096 1.692601e-06
1531 NL NL 1 0.0024364096 1.692601e-06
1532 NR O 1 0.0023475616 1.1202911e-06
1533 NR OM 1 0.0023475616 1.1202911e-06
1534 NR OA 1 0.0023475616 1.463625e-06
1535 NR OE 1 0.0023475616 1.463625e-06
1536 NR OW 1 0.0025252576 2.111523e-06
1537 NR N 1 0.0024364096 1.692601e-06
1538 NR NT 1 0.0024364096 1.692601e-06
1539 NR NL 1 0.0024364096 1.692601e-06
1540 NR NR 1 0.0024364096 1.692601e-06
1541 NZ O 1 0.0023475616 1.1202911e-06
1542 NZ OM 1 0.0023475616 1.1202911e-06
1543 NZ OA 1 0.0023475616 1.463625e-06
1544 NZ OE 1 0.0023475616 1.463625e-06
1545 NZ OW 1 0.0025252576 2.111523e-06
1546 NZ N 1 0.0024364096 1.692601e-06
1547 NZ NT 1 0.0024364096 1.692601e-06
1548 NZ NL 1 0.0024364096 1.692601e-06
1549 NZ NR 1 0.0024364096 1.692601e-06
1550 NZ NZ 1 0.0024364096 1.692601e-06
1551 NE O 1 0.0023475616 1.1202911e-06
1552 NE OM 1 0.0023475616 1.1202911e-06
1553 NE OA 1 0.0023475616 1.463625e-06
1554 NE OE 1 0.0023475616 1.463625e-06
1555 NE OW 1 0.0025252576 2.111523e-06
1556 NE N 1 0.0024364096 1.692601e-06
1557 NE NT 1 0.0024364096 1.692601e-06
1558 NE NL 1 0.0024364096 1.692601e-06
1559 NE NR 1 0.0024364096 1.692601e-06
1560 NE NZ 1 0.0024364096 1.692601e-06
1561 NE NE 1 0.0024364096 1.692601e-06
1562 C O 1 0.0023009528 1.5818407e-06
1563 C OM 1 0.0023009528 1.5818407e-06
1564 C OA 1 0.0023009528 2.066625e-06
1565 C OE 1 0.0023009528 2.066625e-06
1566 C OW 1 0.0024751208 2.981451e-06
1567 C N 1 0.0023880368 2.389937e-06
1568 C NT 1 0.0023880368 2.389937e-06
1569 C NL 1 0.0023880368 2.389937e-06
1570 C NR 1 0.0023880368 2.389937e-06
1571 C NZ 1 0.0023880368 2.389937e-06
1572 C NE 1 0.0023880368 2.389937e-06
1573 C C 1 0.0023406244 3.374569e-06
1574 CH0 O 1 0.0023009528 1.5818407e-06
1575 CH0 OM 1 0.0023009528 1.5818407e-06
1576 CH0 OA 1 0.0023009528 2.066625e-06
1577 CH0 OE 1 0.0023009528 2.066625e-06
1578 CH0 OW 1 0.0024751208 2.981451e-06
1579 CH0 N 1 0.0023880368 2.389937e-06
1580 CH0 NT 1 0.0023880368 2.389937e-06
1581 CH0 NL 1 0.0023880368 2.389937e-06
1582 CH0 NR 1 0.0023880368 2.389937e-06
1583 CH0 NZ 1 0.0023880368 2.389937e-06
1584 CH0 NE 1 0.0023880368 2.389937e-06
1585 CH0 C 1 0.0023406244 3.374569e-06
1586 CH0 CH0 1 0.0023406244 3.374569e-06
1587 CH1 O 1 0.0025663376 1.6645063e-06
1588 CH1 OM 1 0.0025663376 1.6645063e-06
1589 CH1 OA 1 0.0025663376 2.174625e-06
1590 CH1 OE 1 0.0025663376 2.174625e-06
1591 CH1 OW 1 0.0027605936 3.137259e-06
1592 CH1 N 1 0.0026634656 2.514833e-06
1593 CH1 NT 1 0.0026634656 2.514833e-06
1594 CH1 NL 1 0.0026634656 2.514833e-06
1595 CH1 NR 1 0.0026634656 2.514833e-06
1596 CH1 NZ 1 0.0026634656 2.514833e-06
1597 CH1 NE 1 0.0026634656 2.514833e-06
1598 CH1 C 1 0.0026105848 3.550921e-06
1599 CH1 CH0 1 0.0026105848 3.550921e-06
1600 CH1 CH1 1 0.0029116816 3.736489e-06
1601 CH2 O 1 0.0032687988 1.8751283e-06
1602 CH2 OM 1 0.0032687988 1.8751283e-06
1603 CH2 OA 1 0.0032687988 2.4497959e-06
1604 CH2 OE 1 0.0032687988 2.4497959e-06
1605 CH2 OW 1 0.0035162268 3.534239e-06
1606 CH2 N 1 0.0033925128 2.8330529e-06
1607 CH2 NT 1 0.0033925128 2.8330529e-06
1608 CH2 NL 1 0.0033925128 2.8330529e-06
1609 CH2 NR 1 0.0033925128 2.8330529e-06
1610 CH2 NZ 1 0.0033925128 2.8330529e-06
1611 CH2 NE 1 0.0033925128 2.8330529e-06
1612 CH2 C 1 0.0033251574 4.0002446e-06
1613 CH2 CH0 1 0.0033251574 4.0002446e-06
1614 CH2 CH1 1 0.0037086708 4.2092938e-06
1615 CH2 CH2 1 0.0047238129 4.7419261e-06
1616 CH3 O 1 0.0039370168 2.1146739e-06
1617 CH3 OM 1 0.0039370168 2.1146739e-06
1618 CH3 OA 1 0.0039370168 2.7627548e-06
1619 CH3 OE 1 0.0039370168 2.7627548e-06
1620 CH3 OW 1 0.0042350248 3.9857342e-06
1621 CH3 N 1 0.0040860208 3.1949724e-06
1622 CH3 NT 1 0.0040860208 3.1949724e-06
1623 CH3 NL 1 0.0040860208 3.1949724e-06
1624 CH3 NR 1 0.0040860208 3.1949724e-06
1625 CH3 NZ 1 0.0040860208 3.1949724e-06
1626 CH3 NE 1 0.0040860208 3.1949724e-06
1627 CH3 C 1 0.0040048964 4.5112715e-06
1628 CH3 CH0 1 0.0040048964 4.5112715e-06
1629 CH3 CH1 1 0.0044668088 4.7470266e-06
1630 CH3 CH2 1 0.0056894694 5.347702e-06
1631 CH3 CH3 1 0.0068525284 6.0308652e-06
1632 CH4 O 1 0.005459888 5.0477682e-06
1633 CH4 OM 1 0.005459888 5.0477682e-06
1634 CH4 OA 1 0.005459888 6.59475e-06
1635 CH4 OE 1 0.005459888 6.59475e-06
1636 CH4 OW 1 0.005873168 9.514026e-06
1637 CH4 N 1 0.005666528 7.626462e-06
1638 CH4 NT 1 0.005666528 7.626462e-06
1639 CH4 NL 1 0.005666528 7.626462e-06
1640 CH4 NR 1 0.005666528 7.626462e-06
1641 CH4 NZ 1 0.005666528 7.626462e-06
1642 CH4 NE 1 0.005666528 7.626462e-06
1643 CH4 C 1 0.005554024 1.0768494e-05
1644 CH4 CH0 1 0.005554024 1.0768494e-05
1645 CH4 CH1 1 0.006194608 1.1331246e-05
1646 CH4 CH2 1 0.007890204 1.276507e-05
1647 CH4 CH3 1 0.009503144 1.4395794e-05
1648 CH4 CH4 1 0.01317904 3.4363044e-05
1649 CH2r O 1 0.0032687988 1.8751283e-06
1650 CH2r OM 1 0.0032687988 1.8751283e-06
1651 CH2r OA 1 0.0032687988 2.4497959e-06
1652 CH2r OE 1 0.0032687988 2.4497959e-06
1653 CH2r OW 1 0.0035162268 3.534239e-06
1654 CH2r N 1 0.0033925128 2.8330529e-06
1655 CH2r NT 1 0.0033925128 2.8330529e-06
1656 CH2r NL 1 0.0033925128 2.8330529e-06
1657 CH2r NR 1 0.0033925128 2.8330529e-06
1658 CH2r NZ 1 0.0033925128 2.8330529e-06
1659 CH2r NE 1 0.0033925128 2.8330529e-06
1660 CH2r C 1 0.0033251574 4.0002446e-06
1661 CH2r CH0 1 0.0033251574 4.0002446e-06
1662 CH2r CH1 1 0.0037086708 4.2092938e-06
1663 CH2r CH2 1 0.0047238129 4.7419261e-06
1664 CH2r CH3 1 0.0056894694 5.347702e-06
1665 CH2r CH4 1 0.007890204 1.276507e-05
1666 CH2r CH2r 1 0.0047238129 4.7419261e-06
1667 CR1 O 1 0.003536086 2.4851346e-06
1668 CR1 OM 1 0.003536086 2.4851346e-06
1669 CR1 OA 1 0.003536086 3.24675e-06
1670 CR1 OE 1 0.003536086 3.24675e-06
1671 CR1 OW 1 0.003803746 4.683978e-06
1672 CR1 N 1 0.003669916 3.754686e-06
1673 CR1 NT 1 0.003669916 3.754686e-06
1674 CR1 NL 1 0.003669916 3.754686e-06
1675 CR1 NR 1 0.003669916 3.754686e-06
1676 CR1 NZ 1 0.003669916 3.754686e-06
1677 CR1 NE 1 0.003669916 3.754686e-06
1678 CR1 C 1 0.003597053 5.301582e-06
1679 CR1 CH0 1 0.003597053 5.301582e-06
1680 CR1 CH1 1 0.004011926 5.578638e-06
1681 CR1 CH2 1 0.0051100755 6.2845432e-06
1682 CR1 CH3 1 0.006154693 7.0873869e-06
1683 CR1 CH4 1 0.00853538 1.6917732e-05
1684 CR1 CH2r 1 0.0051100755 6.2845432e-06
1685 CR1 CR1 1 0.0055279225 8.328996e-06
1686 HC O 1 0.000437552 1.059153e-07
1687 HC OM 1 0.000437552 1.059153e-07
1688 HC OA 1 0.000437552 1.38375e-07
1689 HC OE 1 0.000437552 1.38375e-07
1690 HC OW 1 0.000470672 1.99629e-07
1691 HC N 1 0.000454112 1.60023e-07
1692 HC NT 1 0.000454112 1.60023e-07
1693 HC NL 1 0.000454112 1.60023e-07
1694 HC NR 1 0.000454112 1.60023e-07
1695 HC NZ 1 0.000454112 1.60023e-07
1696 HC NE 1 0.000454112 1.60023e-07
1697 HC C 1 0.000445096 2.25951e-07
1698 HC CH0 1 0.000445096 2.25951e-07
1699 HC CH1 1 0.000496432 2.37759e-07
1700 HC CH2 1 0.000632316 2.6784436e-07
1701 HC CH3 1 0.000761576 3.0206119e-07
1702 HC CH4 1 0.00105616 7.21026e-07
1703 HC CH2r 1 0.000632316 2.6784436e-07
1704 HC CR1 1 0.00068402 3.54978e-07
1705 HC HC 1 8.464e-05 1.5129e-08
1706 H O 1 0 0
1707 H OM 1 0 0
1708 H OA 1 0 0
1709 H OE 1 0 0
1710 H OW 1 0 0
1711 H N 1 0 0
1712 H NT 1 0 0
1713 H NL 1 0 0
1714 H NR 1 0 0
1715 H NZ 1 0 0
1716 H NE 1 0 0
1717 H C 1 0 0
1718 H CH0 1 0 0
1719 H CH1 1 0 0
1720 H CH2 1 0 0
1721 H CH3 1 0 0
1722 H CH4 1 0 0
1723 H CH2r 1 0 0
1724 H CR1 1 0 0
1725 H HC 1 0 0
1726 H H 1 0 0
1727 DUM O 1 0 0
1728 DUM OM 1 0 0
1729 DUM OA 1 0 0
1730 DUM OE 1 0 0
1731 DUM OW 1 0 0
1732 DUM N 1 0 0
1733 DUM NT 1 0 0
1734 DUM NL 1 0 0
1735 DUM NR 1 0 0
1736 DUM NZ 1 0 0
1737 DUM NE 1 0 0
1738 DUM C 1 0 0
1739 DUM CH0 1 0 0
1740 DUM CH1 1 0 0
1741 DUM CH2 1 0 0
1742 DUM CH3 1 0 0
1743 DUM CH4 1 0 0
1744 DUM CH2r 1 0 0
1745 DUM CR1 1 0 0
1746 DUM HC 1 0 0
1747 DUM H 1 0 0
1748 DUM DUM 1 0 0
1749 S O 1 0.0047521952 3.1137376e-06
1750 S OM 1 0.0047521952 3.1137376e-06
1751 S OA 1 0.0047521952 4.068e-06
1752 S OE 1 0.0047521952 4.068e-06
1753 S OW 1 0.0051119072 5.868768e-06
1754 S N 1 0.0049320512 4.704416e-06
1755 S NT 1 0.0049320512 4.704416e-06
1756 S NL 1 0.0049320512 4.704416e-06
1757 S NR 1 0.0049320512 4.704416e-06
1758 S NZ 1 0.0049320512 4.704416e-06
1759 S NE 1 0.0049320512 4.704416e-06
1760 S C 1 0.0048341296 6.642592e-06
1761 S CH0 1 0.0048341296 6.642592e-06
1762 S CH1 1 0.0053916832 6.989728e-06
1763 S CH2 1 0.0068675016 7.8741886e-06
1764 S CH3 1 0.0082713776 8.8801077e-06
1765 S CH4 1 0.011470816 2.1196992e-05
1766 S CH2r 1 0.0068675016 7.8741886e-06
1767 S CR1 1 0.007429052 1.0435776e-05
1768 S HC 1 0.000919264 4.44768e-07
1769 S H 1 0 0
1770 S DUM 1 0 0
1771 S S 1 0.0099840064 1.3075456e-05
1772 CU1+ O 1 0.000972602 6.1646149e-08
1773 CU1+ OM 1 0.000972602 6.1646149e-08
1774 CU1+ OA 1 0.000972602 8.053875e-08
1775 CU1+ OE 1 0.000972602 8.053875e-08
1776 CU1+ OW 1 0.001046222 1.1619057e-07
1777 CU1+ N 1 0.001009412 9.313859e-08
1778 CU1+ NT 1 0.001009412 9.313859e-08
1779 CU1+ NL 1 0.001009412 9.313859e-08
1780 CU1+ NR 1 0.001009412 9.313859e-08
1781 CU1+ NZ 1 0.001009412 9.313859e-08
1782 CU1+ NE 1 0.001009412 9.313859e-08
1783 CU1+ C 1 0.000989371 1.3151083e-07
1784 CU1+ CH0 1 0.000989371 1.3151083e-07
1785 CU1+ CH1 1 0.001103482 1.3838347e-07
1786 CU1+ CH2 1 0.0014055285 1.5589413e-07
1787 CU1+ CH3 1 0.001692851 1.7580943e-07
1788 CU1+ CH4 1 0.00234766 4.1966058e-07
1789 CU1+ CH2r 1 0.0014055285 1.5589413e-07
1790 CU1+ CR1 1 0.0015204575 2.0660874e-07
1791 CU1+ HC 1 0.00018814 8.80557e-09
1792 CU1+ H 1 0 0
1793 CU1+ DUM 1 0 0
1794 CU1+ S 1 0.002043364 2.5886944e-07
1795 CU1+ CU1+ 1 0.0004182025 5.1251281e-09
1796 CU2+ O 1 0.000972602 6.1646149e-08
1797 CU2+ OM 1 0.000972602 6.1646149e-08
1798 CU2+ OA 1 0.000972602 8.053875e-08
1799 CU2+ OE 1 0.000972602 8.053875e-08
1800 CU2+ OW 1 0.001046222 1.1619057e-07
1801 CU2+ N 1 0.001009412 9.313859e-08
1802 CU2+ NT 1 0.001009412 9.313859e-08
1803 CU2+ NL 1 0.001009412 9.313859e-08
1804 CU2+ NR 1 0.001009412 9.313859e-08
1805 CU2+ NZ 1 0.001009412 9.313859e-08
1806 CU2+ NE 1 0.001009412 9.313859e-08
1807 CU2+ C 1 0.000989371 1.3151083e-07
1808 CU2+ CH0 1 0.000989371 1.3151083e-07
1809 CU2+ CH1 1 0.001103482 1.3838347e-07
1810 CU2+ CH2 1 0.0014055285 1.5589413e-07
1811 CU2+ CH3 1 0.001692851 1.7580943e-07
1812 CU2+ CH4 1 0.00234766 4.1966058e-07
1813 CU2+ CH2r 1 0.0014055285 1.5589413e-07
1814 CU2+ CR1 1 0.0015204575 2.0660874e-07
1815 CU2+ HC 1 0.00018814 8.80557e-09
1816 CU2+ H 1 0 0
1817 CU2+ DUM 1 0 0
1818 CU2+ S 1 0.002043364 2.5886944e-07
1819 CU2+ CU1+ 1 0.0004182025 5.1251281e-09
1820 CU2+ CU2+ 1 0.0004182025 5.1251281e-09
1821 FE O 1 0 0
1822 FE OM 1 0 0
1823 FE OA 1 0 0
1824 FE OE 1 0 0
1825 FE OW 1 0 0
1826 FE N 1 0 0
1827 FE NT 1 0 0
1828 FE NL 1 0 0
1829 FE NR 1 0 0
1830 FE NZ 1 0 0
1831 FE NE 1 0 0
1832 FE C 1 0 0
1833 FE CH0 1 0 0
1834 FE CH1 1 0 0
1835 FE CH2 1 0 0
1836 FE CH3 1 0 0
1837 FE CH4 1 0 0
1838 FE CH2r 1 0 0
1839 FE CR1 1 0 0
1840 FE HC 1 0 0
1841 FE H 1 0 0
1842 FE DUM 1 0 0
1843 FE S 1 0 0
1844 FE CU1+ 1 0 0
1845 FE CU2+ 1 0 0
1846 FE FE 1 0 0
1847 ZN2+ O 1 0.000972602 8.3664476e-08
1848 ZN2+ OM 1 0.000972602 8.3664476e-08
1849 ZN2+ OA 1 0.000972602 1.09305e-07
1850 ZN2+ OE 1 0.000972602 1.09305e-07
1851 ZN2+ OW 1 0.001046222 1.5769068e-07
1852 ZN2+ N 1 0.001009412 1.2640516e-07
1853 ZN2+ NT 1 0.001009412 1.2640516e-07
1854 ZN2+ NL 1 0.001009412 1.2640516e-07
1855 ZN2+ NR 1 0.001009412 1.2640516e-07
1856 ZN2+ NZ 1 0.001009412 1.2640516e-07
1857 ZN2+ NE 1 0.001009412 1.2640516e-07
1858 ZN2+ C 1 0.000989371 1.7848292e-07
1859 ZN2+ CH0 1 0.000989371 1.7848292e-07
1860 ZN2+ CH1 1 0.001103482 1.8781028e-07
1861 ZN2+ CH2 1 0.0014055285 2.1157527e-07
1862 ZN2+ CH3 1 0.001692851 2.3860378e-07
1863 ZN2+ CH4 1 0.00234766 5.6955192e-07
1864 ZN2+ CH2r 1 0.0014055285 2.1157527e-07
1865 ZN2+ CR1 1 0.0015204575 2.8040376e-07
1866 ZN2+ HC 1 0.00018814 1.195068e-08
1867 ZN2+ H 1 0 0
1868 ZN2+ DUM 1 0 0
1869 ZN2+ S 1 0.002043364 3.5133056e-07
1870 ZN2+ CU1+ 1 0.0004182025 6.9556844e-09
1871 ZN2+ CU2+ 1 0.0004182025 6.9556844e-09
1872 ZN2+ FE 1 0 0
1873 ZN2+ ZN2+ 1 0.0004182025 9.4400656e-09
1874 MG2+ O 1 0.0003842848 5.0271018e-08
1875 MG2+ OM 1 0.0003842848 5.0271018e-08
1876 MG2+ OA 1 0.0003842848 6.56775e-08
1877 MG2+ OE 1 0.0003842848 6.56775e-08
1878 MG2+ OW 1 0.0004133728 9.475074e-08
1879 MG2+ N 1 0.0003988288 7.595238e-08
1880 MG2+ NT 1 0.0003988288 7.595238e-08
1881 MG2+ NL 1 0.0003988288 7.595238e-08
1882 MG2+ NR 1 0.0003988288 7.595238e-08
1883 MG2+ NZ 1 0.0003988288 7.595238e-08
1884 MG2+ NE 1 0.0003988288 7.595238e-08
1885 MG2+ C 1 0.0003909104 1.0724406e-07
1886 MG2+ CH0 1 0.0003909104 1.0724406e-07
1887 MG2+ CH1 1 0.0004359968 1.1284854e-07
1888 MG2+ CH2 1 0.0005553384 1.2712808e-07
1889 MG2+ CH3 1 0.0006688624 1.4336855e-07
1890 MG2+ CH4 1 0.000927584 3.4222356e-07
1891 MG2+ CH2r 1 0.0005553384 1.2712808e-07
1892 MG2+ CR1 1 0.000600748 1.6848468e-07
1893 MG2+ HC 1 7.4336e-05 7.18074e-09
1894 MG2+ H 1 0 0
1895 MG2+ DUM 1 0 0
1896 MG2+ S 1 0.0008073536 2.1110208e-07
1897 MG2+ CU1+ 1 0.000165236 4.1794242e-09
1898 MG2+ CU2+ 1 0.000165236 4.1794242e-09
1899 MG2+ FE 1 0 0
1900 MG2+ ZN2+ 1 0.000165236 5.6722008e-09
1901 MG2+ MG2+ 1 6.52864e-05 3.4082244e-09
1902 CA2+ O 1 0.001507652 6.0767827e-07
1903 CA2+ OM 1 0.001507652 6.0767827e-07
1904 CA2+ OA 1 0.001507652 7.939125e-07
1905 CA2+ OE 1 0.001507652 7.939125e-07
1906 CA2+ OW 1 0.001621772 1.1453511e-06
1907 CA2+ N 1 0.001564712 9.181157e-07
1908 CA2+ NT 1 0.001564712 9.181157e-07
1909 CA2+ NL 1 0.001564712 9.181157e-07
1910 CA2+ NR 1 0.001564712 9.181157e-07
1911 CA2+ NZ 1 0.001564712 9.181157e-07
1912 CA2+ NE 1 0.001564712 9.181157e-07
1913 CA2+ C 1 0.001533646 1.2963709e-06
1914 CA2+ CH0 1 0.001533646 1.2963709e-06
1915 CA2+ CH1 1 0.001710532 1.3641181e-06
1916 CA2+ CH2 1 0.002178741 1.5367298e-06
1917 CA2+ CH3 1 0.002624126 1.7330454e-06
1918 CA2+ CH4 1 0.00363916 4.1368134e-06
1919 CA2+ CH2r 1 0.002178741 1.5367298e-06
1920 CA2+ CR1 1 0.002356895 2.0366502e-06
1921 CA2+ HC 1 0.00029164 8.68011e-08
1922 CA2+ H 1 0 0
1923 CA2+ DUM 1 0 0
1924 CA2+ S 1 0.003167464 2.5518112e-06
1925 CA2+ CU1+ 1 0.000648265 5.0521063e-08
1926 CA2+ CU2+ 1 0.000648265 5.0521063e-08
1927 CA2+ FE 1 0 0
1928 CA2+ ZN2+ 1 0.000648265 6.8565812e-08
1929 CA2+ MG2+ 1 0.000256136 4.1198766e-08
1930 CA2+ CA2+ 1 0.00100489 4.9801249e-07
1931 P O 1 0.005773784 4.0566421e-06
1932 P OM 1 0.005773784 4.0566421e-06
1933 P OA 1 0.005773784 5.299875e-06
1934 P OE 1 0.005773784 5.299875e-06
1935 P OW 1 0.006210824 7.645953e-06
1936 P N 1 0.005992304 6.129011e-06
1937 P NT 1 0.005992304 6.129011e-06
1938 P NL 1 0.005992304 6.129011e-06
1939 P NR 1 0.005992304 6.129011e-06
1940 P NZ 1 0.005992304 6.129011e-06
1941 P NE 1 0.005992304 6.129011e-06
1942 P C 1 0.005873332 8.654107e-06
1943 P CH0 1 0.005873332 8.654107e-06
1944 P CH1 1 0.006550744 9.106363e-06
1945 P CH2 1 0.008343822 1.0258657e-05
1946 P CH3 1 0.010049492 1.1569189e-05
1947 P CH4 1 0.01393672 2.7615882e-05
1948 P CH2r 1 0.008343822 1.0258657e-05
1949 P CR1 1 0.00902609 1.3595946e-05
1950 P HC 1 0.00111688 5.79453e-07
1951 P H 1 0 0
1952 P DUM 1 0 0
1953 P S 1 0.012130288 1.7034976e-05
1954 P CU1+ 1 0.00248263 3.3726049e-07
1955 P CU2+ 1 0.00248263 3.3726049e-07
1956 P FE 1 0 0
1957 P ZN2+ 1 0.00248263 4.5772076e-07
1958 P MG2+ 1 0.000980912 2.7502818e-07
1959 P CA2+ 1 0.00384838 3.3245527e-06
1960 P P 1 0.01473796 2.2193521e-05
1961 AR O 1 0.003764374 2.7021318e-06
1962 AR OM 1 0.003764374 2.7021318e-06
1963 AR OA 1 0.003764374 3.53025e-06
1964 AR OE 1 0.003764374 3.53025e-06
1965 AR OW 1 0.004049314 5.092974e-06
1966 AR N 1 0.003906844 4.082538e-06
1967 AR NT 1 0.003906844 4.082538e-06
1968 AR NL 1 0.003906844 4.082538e-06
1969 AR NR 1 0.003906844 4.082538e-06
1970 AR NZ 1 0.003906844 4.082538e-06
1971 AR NE 1 0.003906844 4.082538e-06
1972 AR C 1 0.003829277 5.764506e-06
1973 AR CH0 1 0.003829277 5.764506e-06
1974 AR CH1 1 0.004270934 6.065754e-06
1975 AR CH2 1 0.0054399795 6.8332975e-06
1976 AR CH3 1 0.006552037 7.7062439e-06
1977 AR CH4 1 0.00908642 1.8394956e-05
1978 AR CH2r 1 0.0054399795 6.8332975e-06
1979 AR CR1 1 0.0058848025 9.056268e-06
1980 AR HC 1 0.00072818 3.85974e-07
1981 AR H 1 0 0
1982 AR DUM 1 0 0
1983 AR S 1 0.007908668 1.1347008e-05
1984 AR CU1+ 1 0.0016186175 2.2464942e-07
1985 AR CU2+ 1 0.0016186175 2.2464942e-07
1986 AR FE 1 0 0
1987 AR ZN2+ 1 0.0016186175 3.0488808e-07
1988 AR MG2+ 1 0.000639532 1.8319644e-07
1989 AR CA2+ 1 0.002509055 2.2144866e-06
1990 AR P 1 0.00960881 1.4783118e-05
1991 AR AR 1 0.0062647225 9.847044e-06
1992 F O 1 0.0016322592 7.5105142e-07
1993 F OM 1 0.0016322592 7.5105142e-07
1994 F OA 1 0.0016322592 9.81225e-07
1995 F OE 1 0.0016322592 9.81225e-07
1996 F OW 1 0.0017558112 1.4155806e-06
1997 F N 1 0.0016940352 1.1347322e-06
1998 F NT 1 0.0016940352 1.1347322e-06
1999 F NL 1 0.0016940352 1.1347322e-06
2000 F NR 1 0.0016940352 1.1347322e-06
2001 F NZ 1 0.0016940352 1.1347322e-06
2002 F NE 1 0.0016940352 1.1347322e-06
2003 F C 1 0.0016604016 1.6022314e-06
2004 F CH0 1 0.0016604016 1.6022314e-06
2005 F CH1 1 0.0018519072 1.6859626e-06
2006 F CH2 1 0.0023588136 1.8992996e-06
2007 F CH3 1 0.0028410096 2.1419331e-06
2008 F CH4 1 0.003939936 5.1128364e-06
2009 F CH2r 1 0.0023588136 1.8992996e-06
2010 F CR1 1 0.002551692 2.5171692e-06
2011 F HC 1 0.000315744 1.072806e-07
2012 F H 1 0 0
2013 F DUM 1 0 0
2014 F S 1 0.0034292544 3.1538752e-06
2015 F CU1+ 1 0.000701844 6.2440798e-08
2016 F CU2+ 1 0.000701844 6.2440798e-08
2017 F FE 1 0 0
2018 F ZN2+ 1 0.000701844 8.4742952e-08
2019 F MG2+ 1 0.0002773056 5.0919036e-08
2020 F CA2+ 1 0.001087944 6.1551154e-07
2021 F P 1 0.004166448 4.1089342e-06
2022 F AR 1 0.002716428 2.7369636e-06
2023 F F 1 0.0011778624 7.6073284e-07
2024 CL O 1 0.0044525672 3.3677621e-06
2025 CL OM 1 0.0044525672 3.3677621e-06
2026 CL OA 1 0.0044525672 4.399875e-06
2027 CL OE 1 0.0044525672 4.399875e-06
2028 CL OW 1 0.0047895992 6.347553e-06
2029 CL N 1 0.0046210832 5.088211e-06
2030 CL NT 1 0.0046210832 5.088211e-06
2031 CL NL 1 0.0046210832 5.088211e-06
2032 CL NR 1 0.0046210832 5.088211e-06
2033 CL NZ 1 0.0046210832 5.088211e-06
2034 CL NE 1 0.0046210832 5.088211e-06
2035 CL C 1 0.0045293356 7.184507e-06
2036 CL CH0 1 0.0045293356 7.184507e-06
2037 CL CH1 1 0.0050517352 7.559963e-06
2038 CL CH2 1 0.0064345026 8.5165795e-06
2039 CL CH3 1 0.0077498636 9.6045634e-06
2040 CL CH4 1 0.010747576 2.2926282e-05
2041 CL CH2r 1 0.0064345026 8.5165795e-06
2042 CL CR1 1 0.006960647 1.1287146e-05
2043 CL HC 1 0.000861304 4.81053e-07
2044 CL H 1 0 0
2045 CL DUM 1 0 0
2046 CL S 1 0.0093545104 1.4142176e-05
2047 CL CU1+ 1 0.001914529 2.7998849e-07
2048 CL CU2+ 1 0.001914529 2.7998849e-07
2049 CL FE 1 0 0
2050 CL ZN2+ 1 0.001914529 3.7999276e-07
2051 CL MG2+ 1 0.0007564496 2.2832418e-07
2052 CL CA2+ 1 0.002967754 2.7599927e-06
2053 CL P 1 0.011365468 1.8424721e-05
2054 CL AR 1 0.007410023 1.2272718e-05
2055 CL F 1 0.0032130384 3.4111742e-06
2056 CL CL 1 0.0087647044 1.5295921e-05
2057 BR O 1 0.007909228 6.9680212e-06
2058 BR OM 1 0.007909228 6.9680212e-06
2059 BR OA 1 0.007909228 9.1035e-06
2060 BR OE 1 0.007909228 9.1035e-06
2061 BR OW 1 0.008507908 1.3133316e-05
2062 BR N 1 0.008208568 1.0527692e-05
2063 BR NT 1 0.008208568 1.0527692e-05
2064 BR NL 1 0.008208568 1.0527692e-05
2065 BR NR 1 0.008208568 1.0527692e-05
2066 BR NZ 1 0.008208568 1.0527692e-05
2067 BR NE 1 0.008208568 1.0527692e-05
2068 BR C 1 0.008045594 1.4865004e-05
2069 BR CH0 1 0.008045594 1.4865004e-05
2070 BR CH1 1 0.008973548 1.5641836e-05
2071 BR CH2 1 0.011429799 1.762111e-05
2072 BR CH3 1 0.013766314 1.9872188e-05
2073 BR CH4 1 0.01909124 4.7435304e-05
2074 BR CH2r 1 0.011429799 1.762111e-05
2075 BR CR1 1 0.012364405 2.3353512e-05
2076 BR HC 1 0.00152996 9.95316e-07
2077 BR H 1 0 0
2078 BR DUM 1 0 0
2079 BR S 1 0.016616696 2.9260672e-05
2080 BR CU1+ 1 0.003400835 5.7930628e-07
2081 BR CU2+ 1 0.003400835 5.7930628e-07
2082 BR FE 1 0 0
2083 BR ZN2+ 1 0.003400835 7.8621872e-07
2084 BR MG2+ 1 0.001343704 4.7241096e-07
2085 BR CA2+ 1 0.00527171 5.7105244e-06
2086 BR P 1 0.02018882 3.8121412e-05
2087 BR AR 1 0.013162645 2.5392696e-05
2088 BR F 1 0.005707416 7.0578424e-06
2089 BR CL 1 0.015569006 3.1647812e-05
2090 BR BR 1 0.02765569 6.5480464e-05
2091 CMet O 1 0.0044806276 3.78884e-06
2092 CMet OM 1 0.0044806276 3.78884e-06
2093 CMet OA 1 0.0044806276 4.95e-06
2094 CMet OE 1 0.0044806276 4.95e-06
2095 CMet OW 1 0.0048197836 7.1412e-06
2096 CMet N 1 0.0046502056 5.7244e-06
2097 CMet NT 1 0.0046502056 5.7244e-06
2098 CMet NL 1 0.0046502056 5.7244e-06
2099 CMet NR 1 0.0046502056 5.7244e-06
2100 CMet NZ 1 0.0046502056 5.7244e-06
2101 CMet NE 1 0.0046502056 5.7244e-06
2102 CMet C 1 0.0045578798 8.0828e-06
2103 CMet CH0 1 0.0045578798 8.0828e-06
2104 CMet CH1 1 0.0050835716 8.5052e-06
2105 CMet CH2 1 0.0064750533 9.5814242e-06
2106 CMet CH3 1 0.0077987038 1.0805441e-05
2107 CMet CH4 1 0.010815308 2.57928e-05
2108 CMet CH2r 1 0.0064750533 9.5814242e-06
2109 CMet CR1 1 0.0070045135 1.26984e-05
2110 CMet HC 1 0.000866732 5.412e-07
2111 CMet H 1 0 0
2112 CMet DUM 1 0 0
2113 CMet S 1 0.0094134632 1.59104e-05
2114 CMet CU1+ 1 0.0019265945 3.14996e-07
2115 CMet CU2+ 1 0.0019265945 3.14996e-07
2116 CMet FE 1 0 0
2117 CMet ZN2+ 1 0.0019265945 4.27504e-07
2118 CMet MG2+ 1 0.0007612168 2.56872e-07
2119 CMet CA2+ 1 0.002986457 3.10508e-06
2120 CMet P 1 0.011437094 2.07284e-05
2121 CMet AR 1 0.0074567215 1.38072e-05
2122 CMet F 1 0.0032332872 3.83768e-06
2123 CMet CL 1 0.0088199402 1.72084e-05
2124 CMet BR 1 0.015667123 3.56048e-05
2125 CMet CMet 1 0.0088755241 1.936e-05
2126 OMet O 1 0.0022619536 1.3131775e-06
2127 OMet OM 1 0.0022619536 1.3131775e-06
2128 OMet OA 1 0.0022619536 1.715625e-06
2129 OMet OE 1 0.0022619536 1.715625e-06
2130 OMet OW 1 0.0024331696 2.475075e-06
2131 OMet N 1 0.0023475616 1.984025e-06
2132 OMet NT 1 0.0023475616 1.984025e-06
2133 OMet NL 1 0.0023475616 1.984025e-06
2134 OMet NR 1 0.0023475616 1.984025e-06
2135 OMet NZ 1 0.0023475616 1.984025e-06
2136 OMet NE 1 0.0023475616 1.984025e-06
2137 OMet C 1 0.0023009528 2.801425e-06
2138 OMet CH0 1 0.0023009528 2.801425e-06
2139 OMet CH1 1 0.0025663376 2.947825e-06
2140 OMet CH2 1 0.0032687988 3.3208345e-06
2141 OMet CH3 1 0.0039370168 3.7450676e-06
2142 OMet CH4 1 0.005459888 8.93955e-06
2143 OMet CH2r 1 0.0032687988 3.3208345e-06
2144 OMet CR1 1 0.003536086 4.40115e-06
2145 OMet HC 1 0.000437552 1.87575e-07
2146 OMet H 1 0 0
2147 OMet DUM 1 0 0
2148 OMet S 1 0.0047521952 5.5144e-06
2149 OMet CU1+ 1 0.000972602 1.0917475e-07
2150 OMet CU2+ 1 0.000972602 1.0917475e-07
2151 OMet FE 1 0 0
2152 OMet ZN2+ 1 0.000972602 1.48169e-07
2153 OMet MG2+ 1 0.0003842848 8.90295e-08
2154 OMet CA2+ 1 0.001507652 1.0761925e-06
2155 OMet P 1 0.005773784 7.184275e-06
2156 OMet AR 1 0.003764374 4.78545e-06
2157 OMet F 1 0.0016322592 1.330105e-06
2158 OMet CL 1 0.0044525672 5.964275e-06
2159 OMet BR 1 0.007909228 1.23403e-05
2160 OMet CMet 1 0.0044806276 6.71e-06
2161 OMet OMet 1 0.0022619536 2.325625e-06
2162 NA+ O 1 0.00040373684 1.248595e-07
2163 NA+ OM 1 0.00040373684 1.248595e-07
2164 NA+ OA 1 0.00040373684 1.63125e-07
2165 NA+ OE 1 0.00040373684 1.63125e-07
2166 NA+ OW 1 0.00043429724 2.35335e-07
2167 NA+ N 1 0.00041901704 1.88645e-07
2168 NA+ NT 1 0.00041901704 1.88645e-07
2169 NA+ NL 1 0.00041901704 1.88645e-07
2170 NA+ NR 1 0.00041901704 1.88645e-07
2171 NA+ NZ 1 0.00041901704 1.88645e-07
2172 NA+ NE 1 0.00041901704 1.88645e-07
2173 NA+ C 1 0.00041069782 2.66365e-07
2174 NA+ CH0 1 0.00041069782 2.66365e-07
2175 NA+ CH1 1 0.00045806644 2.80285e-07
2176 NA+ CH2 1 0.00058344897 3.1575148e-07
2177 NA+ CH3 1 0.00070271942 3.5608839e-07
2178 NA+ CH4 1 0.0009745372 8.4999e-07
2179 NA+ CH2r 1 0.00058344897 3.1575148e-07
2180 NA+ CR1 1 0.00063115715 4.1847e-07
2181 NA+ HC 1 7.80988e-05 1.7835e-08
2182 NA+ H 1 0 0
2183 NA+ DUM 1 0 0
2184 NA+ S 1 0.00084822088 5.2432e-07
2185 NA+ CU1+ 1 0.00017360005 1.038055e-08
2186 NA+ CU2+ 1 0.00017360005 1.038055e-08
2187 NA+ FE 1 0 0
2188 NA+ ZN2+ 1 0.00017360005 1.40882e-08
2189 NA+ MG2+ 1 6.859112e-05 8.4651e-09
2190 NA+ CA2+ 1 0.0002691013 1.023265e-07
2191 NA+ P 1 0.0010305646 6.83095e-07
2192 NA+ AR 1 0.00067190435 4.5501e-07
2193 NA+ F 1 0.00029134248 1.26469e-07
2194 NA+ CL 1 0.00079474018 5.67095e-07
2195 NA+ BR 1 0.0014117207 1.17334e-06
2196 NA+ CMet 1 0.00079974869 6.38e-07
2197 NA+ OMet 1 0.00040373684 2.21125e-07
2198 NA+ NA+ 1 7.2063121e-05 2.1025e-08
2199 CL- O 1 0.0055883 8.903774e-06
2200 CL- OM 1 0.0055883 8.903774e-06
2201 CL- OA 1 0.0055883 1.16325e-05
2202 CL- OE 1 0.0055883 1.16325e-05
2203 CL- OW 1 0.0060113 1.678182e-05
2204 CL- N 1 0.0057998 1.345234e-05
2205 CL- NT 1 0.0057998 1.345234e-05
2206 CL- NL 1 0.0057998 1.345234e-05
2207 CL- NR 1 0.0057998 1.345234e-05
2208 CL- NZ 1 0.0057998 1.345234e-05
2209 CL- NE 1 0.0057998 1.345234e-05
2210 CL- C 1 0.00568465 1.899458e-05
2211 CL- CH0 1 0.00568465 1.899458e-05
2212 CL- CH1 1 0.0063403 1.998722e-05
2213 CL- CH2 1 0.008075775 2.2516347e-05
2214 CL- CH3 1 0.00972665 2.5392786e-05
2215 CL- CH4 1 0.013489 6.061308e-05
2216 CL- CH2r 1 0.008075775 2.2516347e-05
2217 CL- CR1 1 0.008736125 2.984124e-05
2218 CL- HC 1 0.001081 1.27182e-06
2219 CL- H 1 0 0
2220 CL- DUM 1 0 0
2221 CL- S 1 0.0117406 3.738944e-05
2222 CL- CU1+ 1 0.002402875 7.402406e-07
2223 CL- CU2+ 1 0.002402875 7.402406e-07
2224 CL- FE 1 0 0
2225 CL- ZN2+ 1 0.002402875 1.0046344e-06
2226 CL- MG2+ 1 0.0009494 6.036492e-07
2227 CL- CA2+ 1 0.00372475 7.296938e-06
2228 CL- P 1 0.0142645 4.871174e-05
2229 CL- AR 1 0.009300125 3.244692e-05
2230 CL- F 1 0.0040326 9.018548e-06
2231 CL- CL 1 0.01100035 4.043974e-05
2232 CL- BR 1 0.01954025 8.367128e-05
2233 CL- CMet 1 0.011069675 4.5496e-05
2234 CL- OMet 1 0.0055883 1.57685e-05
2235 CL- NA+ 1 0.0009974575 1.4993e-06
2236 CL- CL- 1 0.01380625 0.0001069156
2237 CChl O 1 0.0024394475 1.7359776e-06
2238 CChl OM 1 0.0024394475 1.7359776e-06
2239 CChl OA 1 0.0024394475 2.268e-06
2240 CChl OE 1 0.0024394475 2.268e-06
2241 CChl OW 1 0.0026240987 3.271968e-06
2242 CChl N 1 0.0025317731 2.622816e-06
2243 CChl NT 1 0.0025317731 2.622816e-06
2244 CChl NL 1 0.0025317731 2.622816e-06
2245 CChl NR 1 0.0025317731 2.622816e-06
2246 CChl NZ 1 0.0025317731 2.622816e-06
2247 CChl NE 1 0.0025317731 2.622816e-06
2248 CChl C 1 0.002481507 3.703392e-06
2249 CChl CH0 1 0.002481507 3.703392e-06
2250 CChl CH1 1 0.0027677163 3.896928e-06
2251 CChl CH2 1 0.0035252992 4.3900343e-06
2252 CChl CH3 1 0.0042459518 4.9508565e-06
2253 CChl CH4 1 0.0058883216 1.1817792e-05
2254 CChl CH2r 1 0.0035252992 4.3900343e-06
2255 CChl CR1 1 0.0038135602 5.818176e-06
2256 CChl HC 1 0.0004718864 2.47968e-07
2257 CChl H 1 0 0
2258 CChl DUM 1 0 0
2259 CChl S 1 0.0051250966 7.289856e-06
2260 CChl CU1+ 1 0.0010489214 1.4432544e-07
2261 CChl CU2+ 1 0.0010489214 1.4432544e-07
2262 CChl FE 1 0 0
2263 CChl ZN2+ 1 0.0010489214 1.9587456e-07
2264 CChl MG2+ 1 0.00041443936 1.1769408e-07
2265 CChl CA2+ 1 0.0016259564 1.4226912e-06
2266 CChl P 1 0.0062268488 9.497376e-06
2267 CChl AR 1 0.0040597618 6.326208e-06
2268 CChl F 1 0.0017603414 1.7583552e-06
2269 CChl CL 1 0.004801957 7.884576e-06
2270 CChl BR 1 0.0085298596 1.6313472e-05
2271 CChl CMet 1 0.0048322193 8.8704e-06
2272 CChl OMet 1 0.0024394475 3.0744e-06
2273 CChl NA+ 1 0.00043541779 2.9232e-07
2274 CChl CL- 1 0.00602681 2.084544e-05
2275 CChl CChl 1 0.0026308693 4.064256e-06
2276 CLChl O 1 0.004334666 3.1947671e-06
2277 CLChl OM 1 0.004334666 3.1947671e-06
2278 CLChl OA 1 0.004334666 4.1738625e-06
2279 CLChl OE 1 0.004334666 4.1738625e-06
2280 CLChl OW 1 0.0046627736 6.0214923e-06
2281 CLChl N 1 0.0044987198 4.8268401e-06
2282 CLChl NT 1 0.0044987198 4.8268401e-06
2283 CLChl NL 1 0.0044987198 4.8268401e-06
2284 CLChl NR 1 0.0044987198 4.8268401e-06
2285 CLChl NZ 1 0.0044987198 4.8268401e-06
2286 CLChl NE 1 0.0044987198 4.8268401e-06
2287 CLChl C 1 0.0044094016 6.8154537e-06
2288 CLChl CH0 1 0.0044094016 6.8154537e-06
2289 CLChl CH1 1 0.0049179684 7.1716233e-06
2290 CLChl CH2 1 0.0062641209 8.0791004e-06
2291 CLChl CH3 1 0.007544652 9.1111968e-06
2292 CLChl CH4 1 0.010462987 2.1748606e-05
2293 CLChl CH2r 1 0.0062641209 8.0791004e-06
2294 CLChl CR1 1 0.0067763334 1.0707349e-05
2295 CLChl HC 1 0.0008384972 4.563423e-07
2296 CLChl H 1 0 0
2297 CLChl DUM 1 0 0
2298 CLChl S 1 0.0091068087 1.3415722e-05
2299 CLChl CU1+ 1 0.0018638335 2.6560606e-07
2300 CLChl CU2+ 1 0.0018638335 2.6560606e-07
2301 CLChl FE 1 0 0
2302 CLChl ZN2+ 1 0.0018638335 3.6047332e-07
2303 CLChl MG2+ 1 0.00073641928 2.1659564e-07
2304 CLChl CA2+ 1 0.0028891697 2.6182176e-06
2305 CLChl P 1 0.011064517 1.7478281e-05
2306 CLChl AR 1 0.0072138101 1.1642294e-05
2307 CLChl F 1 0.0031279591 3.2359492e-06
2308 CLChl CL 1 0.0085326204 1.4510201e-05
2309 CLChl BR 1 0.015156748 3.0022129e-05
2310 CLChl CMet 1 0.0085863936 1.632444e-05
2311 CLChl OMet 1 0.004334666 5.6579025e-06
2312 CLChl NA+ 1 0.00077369595 5.379645e-07
2313 CLChl CL- 1 0.010709067 3.8362434e-05
2314 CLChl CChl 1 0.0046754 7.4813e-06
2315 CLChl CLChl 1 0.0083066819 1.3764842e-05
2316 HChl O 1 0.0002920184 5.6465771e-08
2317 HChl OM 1 0.0002920184 5.6465771e-08
2318 HChl OA 1 0.0002920184 7.377075e-08
2319 HChl OE 1 0.0002920184 7.377075e-08
2320 HChl OW 1 0.0003141224 1.064266e-07
2321 HChl N 1 0.0003030704 8.5311774e-08
2322 HChl NT 1 0.0003030704 8.5311774e-08
2323 HChl NL 1 0.0003030704 8.5311774e-08
2324 HChl NR 1 0.0003030704 8.5311774e-08
2325 HChl NZ 1 0.0003030704 8.5311774e-08
2326 HChl NE 1 0.0003030704 8.5311774e-08
2327 HChl C 1 0.0002970532 1.2045944e-07
2328 HChl CH0 1 0.0002970532 1.2045944e-07
2329 HChl CH1 1 0.0003313144 1.2675454e-07
2330 HChl CH2 1 0.0004220022 1.4279371e-07
2331 HChl CH3 1 0.0005082692 1.6103545e-07
2332 HChl CH4 1 0.000704872 3.8439479e-07
2333 HChl CH2r 1 0.0004220022 1.4279371e-07
2334 HChl CR1 1 0.000456509 1.8924656e-07
2335 HChl HC 1 5.6488e-05 8.065602e-09
2336 HChl H 1 0 0
2337 HChl DUM 1 0 0
2338 HChl S 1 0.0006135088 2.3711558e-07
2339 HChl CU1+ 1 0.000125563 4.6944427e-09
2340 HChl CU2+ 1 0.000125563 4.6944427e-09
2341 HChl FE 1 0 0
2342 HChl ZN2+ 1 0.000125563 6.3711698e-09
2343 HChl MG2+ 1 4.96112e-05 3.8282101e-09
2344 HChl CA2+ 1 0.000194638 4.6275572e-08
2345 HChl P 1 0.000745396 3.0891911e-07
2346 HChl AR 1 0.000485981 2.0577121e-07
2347 HChl F 1 0.0002107248 5.7193643e-08
2348 HChl CL 1 0.0005748268 2.5645991e-07
2349 HChl BR 1 0.001021082 5.3062481e-07
2350 HChl CMet 1 0.0005784494 2.885256e-07
2351 HChl OMet 1 0.0002920184 1.0000035e-07
2352 HChl NA+ 1 5.212246e-05 9.50823e-09
2353 HChl CL- 1 0.00072145 6.7803516e-07
2354 HChl CChl 1 0.0003622 0.1745e-06
2355 HChl CLChl 1 0.0006493 0.3266e-06
2356 HChl HChl 1 3.76996e-05 4.2999495e-09
2357 SDmso O 1 0.0048877412 3.9925763e-06
2358 SDmso OM 1 0.0048877412 3.9925763e-06
2359 SDmso OA 1 0.0048877412 5.216175e-06
2360 SDmso OE 1 0.0048877412 5.216175e-06
2361 SDmso OW 1 0.0052577132 7.5252018e-06
2362 SDmso N 1 0.0050727272 6.0322166e-06
2363 SDmso NT 1 0.0050727272 6.0322166e-06
2364 SDmso NL 1 0.0050727272 6.0322166e-06
2365 SDmso NR 1 0.0050727272 6.0322166e-06
2366 SDmso NZ 1 0.0050727272 6.0322166e-06
2367 SDmso NE 1 0.0050727272 6.0322166e-06
2368 SDmso C 1 0.0049720126 8.5174342e-06
2369 SDmso CH0 1 0.0049720126 8.5174342e-06
2370 SDmso CH1 1 0.0055454692 8.9625478e-06
2371 SDmso CH2 1 0.0070633821 1.0096643e-05
2372 SDmso CH3 1 0.0085073006 1.1386479e-05
2373 SDmso CH4 1 0.011797996 2.7179749e-05
2374 SDmso CH2r 1 0.0070633821 1.0096643e-05
2375 SDmso CR1 1 0.0076409495 1.3381228e-05
2376 SDmso HC 1 0.000945484 5.703018e-07
2377 SDmso H 1 0 0
2378 SDmso DUM 1 0 0
2379 SDmso S 1 0.010268778 1.6765946e-05
2380 SDmso CU1+ 1 0.0021016465 3.3193419e-07
2381 SDmso CU2+ 1 0.0021016465 3.3193419e-07
2382 SDmso FE 1 0 0
2383 SDmso ZN2+ 1 0.0021016465 4.5049206e-07
2384 SDmso MG2+ 1 0.0008303816 2.7068471e-07
2385 SDmso CA2+ 1 0.003257809 3.2720486e-06
2386 SDmso P 1 0.012476278 2.1843023e-05
2387 SDmso AR 1 0.0081342455 1.4549651e-05
2388 SDmso F 1 0.0035270664 4.0440425e-06
2389 SDmso CL 1 0.0096213274 1.8133743e-05
2390 SDmso BR 1 0.017090651 3.7519367e-05
2391 SDmso CMet 1 0.0096819617 2.040104e-05
2392 SDmso OMet 1 0.0048877412 7.070815e-06
2393 SDmso NA+ 1 0.00087241453 6.72307e-07
2394 SDmso CL- 1 0.012075475 4.7942444e-05
2395 SDmso CChl 1 0.0052712788 9.3473856e-06
2396 SDmso CLChl 1 0.0093665606 1.720225e-05
2397 SDmso HChl 1 0.0006310078 3.0404041e-07
2398 SDmso SDmso 1 0.010561673 2.149806e-05
2399 CDmso O 1 0.004663258 4.4449982e-06
2400 CDmso OM 1 0.004663258 4.4449982e-06
2401 CDmso OA 1 0.004663258 5.80725e-06
2402 CDmso OE 1 0.004663258 5.80725e-06
2403 CDmso OW 1 0.005016238 8.377926e-06
2404 CDmso N 1 0.004839748 6.715762e-06
2405 CDmso NT 1 0.004839748 6.715762e-06
2406 CDmso NL 1 0.004839748 6.715762e-06
2407 CDmso NR 1 0.004839748 6.715762e-06
2408 CDmso NZ 1 0.004839748 6.715762e-06
2409 CDmso NE 1 0.004839748 6.715762e-06
2410 CDmso C 1 0.004743659 9.482594e-06
2411 CDmso CH0 1 0.004743659 9.482594e-06
2412 CDmso CH1 1 0.005290778 9.978146e-06
2413 CDmso CH2 1 0.0067389765 1.1240753e-05
2414 CDmso CH3 1 0.008116579 1.2676747e-05
2415 CDmso CH4 1 0.01125614 3.0259644e-05
2416 CDmso CH2r 1 0.0067389765 1.1240753e-05
2417 CDmso CR1 1 0.0072900175 1.4897532e-05
2418 CDmso HC 1 0.00090206 6.34926e-07
2419 CDmso H 1 0 0
2420 CDmso DUM 1 0 0
2421 CDmso S 1 0.009797156 1.8665792e-05
2422 CDmso CU1+ 1 0.0020051225 3.6954758e-07
2423 CDmso CU2+ 1 0.0020051225 3.6954758e-07
2424 CDmso FE 1 0 0
2425 CDmso ZN2+ 1 0.0020051225 5.0153992e-07
2426 CDmso MG2+ 1 0.000792244 3.0135756e-07
2427 CDmso CA2+ 1 0.003108185 3.6428234e-06
2428 CDmso P 1 0.01190327 2.4318182e-05
2429 CDmso AR 1 0.0077606575 1.6198356e-05
2430 CDmso F 1 0.003365076 4.5022964e-06
2431 CDmso CL 1 0.009179441 2.0188582e-05
2432 CDmso BR 1 0.016305715 4.1770904e-05
2433 CDmso CMet 1 0.0092372905 2.27128e-05
2434 CDmso OMet 1 0.004663258 7.87205e-06
2435 CDmso NA+ 1 0.00083234645 7.4849e-07
2436 CDmso CL- 1 0.011520875 5.337508e-05
2437 CDmso CChl 1 0.0050291806 1.0406592e-05
2438 CDmso CLChl 1 0.0089363751 1.9151536e-05
2439 CDmso HChl 1 0.000602027 3.3849299e-07
2440 CDmso SDmso 1 0.010076599 2.3934129e-05
2441 CDmso CDmso 1 0.0096138025 2.6646244e-05
2442 ODmso O 1 0.0022663291 7.4645315e-07
2443 ODmso OM 1 0.0022663291 7.4645315e-07
2444 ODmso OA 1 0.0022663291 9.752175e-07
2445 ODmso OE 1 0.0022663291 9.752175e-07
2446 ODmso OW 1 0.0024378763 1.4069138e-06
2447 ODmso N 1 0.0023521027 1.1277849e-06
2448 ODmso NT 1 0.0023521027 1.1277849e-06
2449 ODmso NL 1 0.0023521027 1.1277849e-06
2450 ODmso NR 1 0.0023521027 1.1277849e-06
2451 ODmso NZ 1 0.0023521027 1.1277849e-06
2452 ODmso NE 1 0.0023521027 1.1277849e-06
2453 ODmso C 1 0.0023054038 1.5924218e-06
2454 ODmso CH0 1 0.0023054038 1.5924218e-06
2455 ODmso CH1 1 0.0025713019 1.6756404e-06
2456 ODmso CH2 1 0.003275122 1.8876712e-06
2457 ODmso CH3 1 0.0039446326 2.1288192e-06
2458 ODmso CH4 1 0.0054704496 5.0815333e-06
2459 ODmso CH2r 1 0.003275122 1.8876712e-06
2460 ODmso CR1 1 0.0035429262 2.501758e-06
2461 ODmso HC 1 0.0004383984 1.0662378e-07
2462 ODmso H 1 0 0
2463 ODmso DUM 1 0 0
2464 ODmso S 1 0.0047613878 3.1345658e-06
2465 ODmso CU1+ 1 0.0009744834 6.2058507e-08
2466 ODmso CU2+ 1 0.0009744834 6.2058507e-08
2467 ODmso FE 1 0 0
2468 ODmso ZN2+ 1 0.0009744834 8.4224118e-08
2469 ODmso MG2+ 1 0.00038502816 5.0607287e-08
2470 ODmso CA2+ 1 0.0015105684 6.117431e-07
2471 ODmso P 1 0.0057849528 4.0837775e-06
2472 ODmso AR 1 0.0037716558 2.7202067e-06
2473 ODmso F 1 0.0016354166 7.5607529e-07
2474 ODmso CL 1 0.0044611802 3.3902895e-06
2475 ODmso BR 1 0.0079245276 7.0146311e-06
2476 ODmso CMet 1 0.0044892949 3.814184e-06
2477 ODmso OMet 1 0.0022663291 1.3219615e-06
2478 ODmso NA+ 1 0.00040451783 1.256947e-07
2479 ODmso CL- 1 0.00559911 8.9633324e-06
2480 ODmso CChl 1 0.0024441664 1.7475898e-06
2481 ODmso CLChl 1 0.0043430509 3.2161373e-06
2482 ODmso HChl 1 0.00029258328 5.6843478e-08
2483 ODmso SDmso 1 0.004897196 4.0192831e-06
2484 ODmso CDmso 1 0.0046722786 4.4747313e-06
2485 ODmso ODmso 1 0.0022707131 7.5144626e-07
2486 CCl4 O 1 0.0024394475 2.3738805e-06
2487 CCl4 OM 1 0.0024394475 2.3738805e-06
2488 CCl4 OA 1 0.0024394475 3.1014e-06
2489 CCl4 OE 1 0.0024394475 3.1014e-06
2490 CCl4 OW 1 0.0026240987 4.4742864e-06
2491 CCl4 N 1 0.0025317731 3.5865968e-06
2492 CCl4 NT 1 0.0025317731 3.5865968e-06
2493 CCl4 NL 1 0.0025317731 3.5865968e-06
2494 CCl4 NR 1 0.0025317731 3.5865968e-06
2495 CCl4 NZ 1 0.0025317731 3.5865968e-06
2496 CCl4 NE 1 0.0025317731 3.5865968e-06
2497 CCl4 C 1 0.002481507 5.0642416e-06
2498 CCl4 CH0 1 0.002481507 5.0642416e-06
2499 CCl4 CH1 1 0.0027677163 5.3288944e-06
2500 CCl4 CH2 1 0.0035252992 6.0031978e-06
2501 CCl4 CH3 1 0.0042459518 6.7700998e-06
2502 CCl4 CH4 1 0.0058883216 1.6160362e-05
2503 CCl4 CH2r 1 0.0035252992 6.0031978e-06
2504 CCl4 CR1 1 0.0038135602 7.9561248e-06
2505 CCl4 HC 1 0.0004718864 3.390864e-07
2506 CCl4 H 1 0 0
2507 CCl4 DUM 1 0 0
2508 CCl4 S 1 0.0051250966 9.9685888e-06
2509 CCl4 CU1+ 1 0.0010489214 1.9735931e-07
2510 CCl4 CU2+ 1 0.0010489214 1.9735931e-07
2511 CCl4 FE 1 0 0
2512 CCl4 ZN2+ 1 0.0010489214 2.6785069e-07
2513 CCl4 MG2+ 1 0.00041443936 1.6094198e-07
2514 CCl4 CA2+ 1 0.0016259564 1.9454738e-06
2515 CCl4 P 1 0.0062268488 1.2987285e-05
2516 CCl4 AR 1 0.0040597618 8.6508384e-06
2517 CCl4 F 1 0.0017603414 2.404481e-06
2518 CCl4 CL 1 0.004801957 1.0781845e-05
2519 CCl4 BR 1 0.0085298596 2.2308026e-05
2520 CCl4 CMet 1 0.0048322193 1.212992e-05
2521 CCl4 OMet 1 0.0024394475 4.20412e-06
2522 CCl4 NA+ 1 0.00043541779 3.99736e-07
2523 CCl4 CL- 1 0.00602681 2.8505312e-05
2524 CCl4 CChl 1 0.0026308693 5.5577088e-06
2525 CCl4 CLChl 1 0.0046748042 1.0228004e-05
2526 CCl4 HChl 1 0.00031493288 1.807744e-07
2527 CCl4 SDmso 1 0.0052712788 1.2782179e-05
2528 CCl4 CDmso 1 0.0050291806 1.4230602e-05
2529 CCl4 ODmso 1 0.0024441664 2.3897596e-06
2530 CCl4 CCl4 1 0.0026308693 7.5999462e-06
2531 CLCl4 O 1 0.0041472796 3.0768825e-06
2532 CLCl4 OM 1 0.0041472796 3.0768825e-06
2533 CLCl4 OA 1 0.0041472796 4.01985e-06
2534 CLCl4 OE 1 0.0041472796 4.01985e-06
2535 CLCl4 OW 1 0.0044612032 5.7993036e-06
2536 CLCl4 N 1 0.0043042414 4.6487332e-06
2537 CLCl4 NT 1 0.0043042414 4.6487332e-06
2538 CLCl4 NL 1 0.0043042414 4.6487332e-06
2539 CLCl4 NR 1 0.0043042414 4.6487332e-06
2540 CLCl4 NZ 1 0.0043042414 4.6487332e-06
2541 CLCl4 NE 1 0.0043042414 4.6487332e-06
2542 CLCl4 C 1 0.0042187844 6.5639684e-06
2543 CLCl4 CH0 1 0.0042187844 6.5639684e-06
2544 CLCl4 CH1 1 0.004705366 6.9069956e-06
2545 CLCl4 CH2 1 0.0059933247 7.7809875e-06
2546 CLCl4 CH3 1 0.0072184988 8.7750002e-06
2547 CLCl4 CH4 1 0.010010675 2.0946098e-05
2548 CLCl4 CH2r 1 0.0059933247 7.7809875e-06
2549 CLCl4 CR1 1 0.0064833944 1.0312255e-05
2550 CLCl4 HC 1 0.0008022492 4.395036e-07
2551 CLCl4 H 1 0 0
2552 CLCl4 DUM 1 0 0
2553 CLCl4 S 1 0.0087131239 1.2920691e-05
2554 CLCl4 CU1+ 1 0.0017832604 2.5580539e-07
2555 CLCl4 CU2+ 1 0.0017832604 2.5580539e-07
2556 CLCl4 FE 1 0 0
2557 CLCl4 ZN2+ 1 0.0017832604 3.4717211e-07
2558 CLCl4 MG2+ 1 0.00070458408 2.0860342e-07
2559 CLCl4 CA2+ 1 0.0027642717 2.5216072e-06
2560 CLCl4 P 1 0.010586201 1.6833345e-05
2561 CLCl4 AR 1 0.0069019592 1.1212702e-05
2562 CLCl4 F 1 0.0029927383 3.116545e-06
2563 CLCl4 CL 1 0.0081637576 1.3974785e-05
2564 CLCl4 BR 1 0.014501526 2.8914334e-05
2565 CLCl4 CMet 1 0.0082152062 1.572208e-05
2566 CLCl4 OMet 1 0.0041472796 5.44913e-06
2567 CLCl4 NA+ 1 0.00074024929 5.18114e-07
2568 CLCl4 CL- 1 0.010246117 3.6946888e-05
2569 CLCl4 CChl 1 0.0044727137 7.2035712e-06
2570 CLCl4 CLChl 1 0.0079475863 1.3256929e-05
2571 CLCl4 HChl 1 0.00053541414 2.3430902e-07
2572 CLCl4 SDmso 1 0.0089616468 1.6567499e-05
2573 CLCl4 CDmso 1 0.008550058 1.8444858e-05
2574 CLCl4 ODmso 1 0.0041553021 3.0974642e-06
2575 CLCl4 CCl4 1 0.0044727137 9.8505978e-06
2576 CLCl4 CLCl4 1 0.0076040144 1.2767758e-05
2577 FTFE O 1 0.0016322592 8.611e-07
2578 FTFE OM 1 0.0016322592 8.611e-07
2579 FTFE OA 1 0.0016322592 1.125e-06
2580 FTFE OE 1 0.0016322592 1.125e-06
2581 FTFE OW 1 0.0017558112 1.623e-06
2582 FTFE N 1 0.0016940352 1.301e-06
2583 FTFE NT 1 0.0016940352 1.301e-06
2584 FTFE NL 1 0.0016940352 1.301e-06
2585 FTFE NR 1 0.0016940352 1.301e-06
2586 FTFE NZ 1 0.0016940352 1.301e-06
2587 FTFE NE 1 0.0016940352 1.301e-06
2588 FTFE C 1 0.0016604016 1.837e-06
2589 FTFE CH0 1 0.0016604016 1.837e-06
2590 FTFE CH1 1 0.0018519072 1.933e-06
2591 FTFE CH2 1 0.0023588136 2.1775964e-06
2592 FTFE CH3 1 0.0028410096 2.455782e-06
2593 FTFE CH4 1 0.003939936 5.862e-06
2594 FTFE CH2r 1 0.0023588136 2.1775964e-06
2595 FTFE CR1 1 0.002551692 2.886e-06
2596 FTFE HC 1 0.000315744 1.23e-07
2597 FTFE H 1 0 0
2598 FTFE DUM 1 0 0
2599 FTFE S 1 0.0034292544 3.616e-06
2600 FTFE CU1+ 1 0.000701844 7.159e-08
2601 FTFE CU2+ 1 0.000701844 7.159e-08
2602 FTFE FE 1 0 0
2603 FTFE ZN2+ 1 0.000701844 9.716e-08
2604 FTFE MG2+ 1 0.0002773056 5.838e-08
2605 FTFE CA2+ 1 0.001087944 7.057e-07
2606 FTFE P 1 0.004166448 4.711e-06
2607 FTFE AR 1 0.002716428 3.138e-06
2608 FTFE F 1 0.0011778624 8.722e-07
2609 FTFE CL 1 0.0032130384 3.911e-06
2610 FTFE BR 1 0.005707416 8.092e-06
2611 FTFE CMet 1 0.0032332872 4.4e-06
2612 FTFE OMet 1 0.0016322592 1.525e-06
2613 FTFE NA+ 1 0.00029134248 1.45e-07
2614 FTFE CL- 1 0.0040326 1.034e-05
2615 FTFE CChl 1 0.0017603414 2.016e-06
2616 FTFE CLChl 1 0.0031279591 3.7101e-06
2617 FTFE HChl 1 0.0002107248 6.5574e-08
2618 FTFE SDmso 1 0.0035270664 4.6366e-06
2619 FTFE CDmso 1 0.003365076 5.162e-06
2620 FTFE ODmso 1 0.0016354166 8.6686e-07
2621 FTFE CCl4 1 0.0017603414 2.7568e-06
2622 FTFE CLCl4 1 0.0029927383 3.5732e-06
2623 FTFE FTFE 1 0.0011778624 1e-06
2624 CTFE O 1 0.0023009528 1.5818407e-06
2625 CTFE OM 1 0.0023009528 1.5818407e-06
2626 CTFE OA 1 0.0023009528 2.066625e-06
2627 CTFE OE 1 0.0023009528 2.066625e-06
2628 CTFE OW 1 0.0024751208 2.981451e-06
2629 CTFE N 1 0.0023880368 2.389937e-06
2630 CTFE NT 1 0.0023880368 2.389937e-06
2631 CTFE NL 1 0.0023880368 2.389937e-06
2632 CTFE NR 1 0.0023880368 2.389937e-06
2633 CTFE NZ 1 0.0023880368 2.389937e-06
2634 CTFE NE 1 0.0023880368 2.389937e-06
2635 CTFE C 1 0.0023406244 3.374569e-06
2636 CTFE CH0 1 0.0023406244 3.374569e-06
2637 CTFE CH1 1 0.0026105848 3.550921e-06
2638 CTFE CH2 1 0.0033251574 4.0002446e-06
2639 CTFE CH3 1 0.0040048964 4.5112715e-06
2640 CTFE CH4 1 0.005554024 1.0768494e-05
2641 CTFE CH2r 1 0.0033251574 4.0002446e-06
2642 CTFE CR1 1 0.003597053 5.301582e-06
2643 CTFE HC 1 0.000445096 2.25951e-07
2644 CTFE H 1 0 0
2645 CTFE DUM 1 0 0
2646 CTFE S 1 0.0048341296 6.642592e-06
2647 CTFE CU1+ 1 0.000989371 1.3151083e-07
2648 CTFE CU2+ 1 0.000989371 1.3151083e-07
2649 CTFE FE 1 0 0
2650 CTFE ZN2+ 1 0.000989371 1.7848292e-07
2651 CTFE MG2+ 1 0.0003909104 1.0724406e-07
2652 CTFE CA2+ 1 0.001533646 1.2963709e-06
2653 CTFE P 1 0.005873332 8.654107e-06
2654 CTFE AR 1 0.003829277 5.764506e-06
2655 CTFE F 1 0.0016604016 1.6022314e-06
2656 CTFE CL 1 0.0045293356 7.184507e-06
2657 CTFE BR 1 0.008045594 1.4865004e-05
2658 CTFE CMet 1 0.0045578798 8.0828e-06
2659 CTFE OMet 1 0.0023009528 2.801425e-06
2660 CTFE NA+ 1 0.00041069782 2.66365e-07
2661 CTFE CL- 1 0.00568465 1.899458e-05
2662 CTFE CChl 1 0.002481507 3.703392e-06
2663 CTFE CLChl 1 0.0044094016 6.8154537e-06
2664 CTFE HChl 1 0.0002970532 1.2045944e-07
2665 CTFE SDmso 1 0.0049720126 8.5174342e-06
2666 CTFE CDmso 1 0.004743659 9.482594e-06
2667 CTFE ODmso 1 0.0023054038 1.5924218e-06
2668 CTFE CCl4 1 0.002481507 5.0642416e-06
2669 CTFE CLCl4 1 0.0042187844 6.5639684e-06
2670 CTFE FTFE 1 0.0016604016 1.837e-06
2671 CTFE CTFE 1 0.0023406244 3.374569e-06
2672 CHTFE O 1 0.0040088324 4.3718047e-06
2673 CHTFE OM 1 0.0040088324 4.3718047e-06
2674 CHTFE OA 1 0.0040088324 5.711625e-06
2675 CHTFE OE 1 0.0040088324 5.711625e-06
2676 CHTFE OW 1 0.0043122764 8.239971e-06
2677 CHTFE N 1 0.0041605544 6.605177e-06
2678 CHTFE NT 1 0.0041605544 6.605177e-06
2679 CHTFE NL 1 0.0041605544 6.605177e-06
2680 CHTFE NR 1 0.0041605544 6.605177e-06
2681 CHTFE NZ 1 0.0041605544 6.605177e-06
2682 CHTFE NE 1 0.0041605544 6.605177e-06
2683 CHTFE C 1 0.0040779502 9.326449e-06
2684 CHTFE CH0 1 0.0040779502 9.326449e-06
2685 CHTFE CH1 1 0.0045482884 9.813841e-06
2686 CHTFE CH2 1 0.0057932517 1.1055657e-05
2687 CHTFE CH3 1 0.0069775262 1.2468005e-05
2688 CHTFE CH4 1 0.009676492 2.9761374e-05
2689 CHTFE CH2r 1 0.0057932517 1.1055657e-05
2690 CHTFE CR1 1 0.0062669615 1.4652222e-05
2691 CHTFE HC 1 0.000775468 6.24471e-07
2692 CHTFE H 1 0 0
2693 CHTFE DUM 1 0 0
2694 CHTFE S 1 0.0084222568 1.8358432e-05
2695 CHTFE CU1+ 1 0.0017237305 3.6346243e-07
2696 CHTFE CU2+ 1 0.0017237305 3.6346243e-07
2697 CHTFE FE 1 0 0
2698 CHTFE ZN2+ 1 0.0017237305 4.9328132e-07
2699 CHTFE MG2+ 1 0.0006810632 2.9639526e-07
2700 CHTFE CA2+ 1 0.002671993 3.5828389e-06
2701 CHTFE P 1 0.010232806 2.3917747e-05
2702 CHTFE AR 1 0.0066715535 1.5931626e-05
2703 CHTFE F 1 0.0028928328 4.4281594e-06
2704 CHTFE CL 1 0.0078912298 1.9856147e-05
2705 CHTFE BR 1 0.014017427 4.1083084e-05
2706 CHTFE CMet 1 0.0079409609 2.23388e-05
2707 CHTFE OMet 1 0.0040088324 7.742425e-06
2708 CHTFE NA+ 1 0.00071553781 7.36165e-07
2709 CHTFE CL- 1 0.009904075 5.249618e-05
2710 CHTFE CChl 1 0.0043234027 1.0235232e-05
2711 CHTFE CLChl 1 0.0076822749 1.8836178e-05
2712 CHTFE HChl 1 0.0005175406 3.329192e-07
2713 CHTFE SDmso 1 0.0086624833 2.3540018e-05
2714 CHTFE CDmso 1 0.0082646345 2.6207474e-05
2715 CHTFE ODmso 1 0.0040165871 4.4010482e-06
2716 CHTFE CCl4 1 0.0043234027 1.3996274e-05
2717 CHTFE CLCl4 1 0.0073501723 1.8141136e-05
2718 CHTFE FTFE 1 0.0028928328 5.077e-06
2719 CHTFE CTFE 1 0.0040779502 9.326449e-06
2720 CHTFE CHTFE 1 0.0071048041 2.5775929e-05
2721 OTFE O 1 0.0022619536 1.0565697e-06
2722 OTFE OM 1 0.0022619536 1.0565697e-06
2723 OTFE OA 1 0.0022619536 1.380375e-06
2724 OTFE OE 1 0.0022619536 1.380375e-06
2725 OTFE OW 1 0.0024331696 1.991421e-06
2726 OTFE N 1 0.0023475616 1.596327e-06
2727 OTFE NT 1 0.0023475616 1.596327e-06
2728 OTFE NL 1 0.0023475616 1.596327e-06
2729 OTFE NR 1 0.0023475616 1.596327e-06
2730 OTFE NZ 1 0.0023475616 1.596327e-06
2731 OTFE NE 1 0.0023475616 1.596327e-06
2732 OTFE C 1 0.0023009528 2.253999e-06
2733 OTFE CH0 1 0.0023009528 2.253999e-06
2734 OTFE CH1 1 0.0025663376 2.371791e-06
2735 OTFE CH2 1 0.0032687988 2.6719108e-06
2736 OTFE CH3 1 0.0039370168 3.0132445e-06
2737 OTFE CH4 1 0.005459888 7.192674e-06
2738 OTFE CH2r 1 0.0032687988 2.6719108e-06
2739 OTFE CR1 1 0.003536086 3.541122e-06
2740 OTFE HC 1 0.000437552 1.50921e-07
2741 OTFE H 1 0 0
2742 OTFE DUM 1 0 0
2743 OTFE S 1 0.0047521952 4.436832e-06
2744 OTFE CU1+ 1 0.000972602 8.784093e-08
2745 OTFE CU2+ 1 0.000972602 8.784093e-08
2746 OTFE FE 1 0 0
2747 OTFE ZN2+ 1 0.000972602 1.1921532e-07
2748 OTFE MG2+ 1 0.0003842848 7.163226e-08
2749 OTFE CA2+ 1 0.001507652 8.658939e-07
2750 OTFE P 1 0.005773784 5.780397e-06
2751 OTFE AR 1 0.003764374 3.850326e-06
2752 OTFE F 1 0.0016322592 1.0701894e-06
2753 OTFE CL 1 0.0044525672 4.798797e-06
2754 OTFE BR 1 0.007909228 9.928884e-06
2755 OTFE CMet 1 0.0044806276 5.3988e-06
2756 OTFE OMet 1 0.0022619536 1.871175e-06
2757 OTFE NA+ 1 0.00040373684 1.77915e-07
2758 OTFE CL- 1 0.0055883 1.268718e-05
2759 OTFE CChl 1 0.0024394475 2.473632e-06
2760 OTFE CLChl 1 0.004334666 4.5522927e-06
2761 OTFE HChl 1 0.0002920184 8.0459298e-08
2762 OTFE SDmso 1 0.0048877412 5.6891082e-06
2763 OTFE CDmso 1 0.004663258 6.333774e-06
2764 OTFE ODmso 1 0.0022663291 1.0636372e-06
2765 OTFE CCl4 1 0.0024394475 3.3825936e-06
2766 OTFE CLCl4 1 0.0041472796 4.3843164e-06
2767 OTFE FTFE 1 0.0016322592 1.227e-06
2768 OTFE CTFE 1 0.0023009528 2.253999e-06
2769 OTFE CHTFE 1 0.0040088324 6.229479e-06
2770 OTFE OTFE 1 0.0022619536 1.505529e-06
2771 CUrea O 1 0.0033247294 3.174359e-06
2772 CUrea OM 1 0.0033247294 3.174359e-06
2773 CUrea OA 1 0.0033247294 4.1472e-06
2774 CUrea OE 1 0.0033247294 4.1472e-06
2775 CUrea OW 1 0.003576391 5.9830272e-06
2776 CUrea N 1 0.0034505602 4.7960064e-06
2777 CUrea NT 1 0.0034505602 4.7960064e-06
2778 CUrea NL 1 0.0034505602 4.7960064e-06
2779 CUrea NR 1 0.0034505602 4.7960064e-06
2780 CUrea NZ 1 0.0034505602 4.7960064e-06
2781 CUrea NE 1 0.0034505602 4.7960064e-06
2782 CUrea C 1 0.0033820523 6.7719168e-06
2783 CUrea CH0 1 0.0033820523 6.7719168e-06
2784 CUrea CH1 1 0.0037721278 7.1258112e-06
2785 CUrea CH2 1 0.0048046394 8.0274914e-06
2786 CUrea CH3 1 0.0057868187 9.0529948e-06
2787 CUrea CH4 1 0.0080252088 2.1609677e-05
2788 CUrea CH2r 1 0.0048046394 8.0274914e-06
2789 CUrea CR1 1 0.0051975111 1.063895e-05
2790 CUrea HC 1 0.0006431352 4.534272e-07
2791 CUrea H 1 0 0
2792 CUrea DUM 1 0 0
2793 CUrea S 1 0.0069850075 1.3330022e-05
2794 CUrea CU1+ 1 0.0014295777 2.6390938e-07
2795 CUrea CU2+ 1 0.0014295777 2.6390938e-07
2796 CUrea FE 1 0 0
2797 CUrea ZN2+ 1 0.0014295777 3.5817062e-07
2798 CUrea MG2+ 1 0.00056484048 2.1521203e-07
2799 CUrea CA2+ 1 0.0022160202 2.6014925e-06
2800 CUrea P 1 0.0084865884 1.736663e-05
2801 CUrea AR 1 0.0055330599 1.1567923e-05
2802 CUrea F 1 0.0023991739 3.2152781e-06
2803 CUrea CL 1 0.0065445997 1.441751e-05
2804 CUrea BR 1 0.011625368 2.9830349e-05
2805 CUrea CMet 1 0.0065858443 1.622016e-05
2806 CUrea OMet 1 0.0033247294 5.62176e-06
2807 CUrea NA+ 1 0.00059343203 5.34528e-07
2808 CUrea CL- 1 0.008213955 3.8117376e-05
2809 CUrea CChl 1 0.0035856186 7.4317824e-06
2810 CUrea CLChl 1 0.0063713027 1.3676913e-05
2811 CUrea HChl 1 0.00042922284 2.4173199e-07
2812 CUrea SDmso 1 0.0071842396 1.7092362e-05
2813 CUrea CDmso 1 0.0068542833 1.9029197e-05
2814 CUrea ODmso 1 0.0033311607 3.1955927e-06
2815 CUrea CCl4 1 0.0035856186 1.0162668e-05
2816 CUrea CLCl4 1 0.0060958731 1.3172244e-05
2817 CUrea FTFE 1 0.0023991739 3.6864e-06
2818 CUrea CTFE 1 0.0033820523 6.7719168e-06
2819 CUrea CHTFE 1 0.0058923767 1.8715853e-05
2820 CUrea OTFE 1 0.0033247294 4.5232128e-06
2821 CUrea CUrea 1 0.0048868488 1.3589545e-05
2822 OUrea O 1 0.0023123672 1.085761e-06
2823 OUrea OM 1 0.0023123672 1.085761e-06
2824 OUrea OA 1 0.0023123672 1.4185125e-06
2825 OUrea OE 1 0.0023123672 1.4185125e-06
2826 OUrea OW 1 0.0024873992 2.0464407e-06
2827 OUrea N 1 0.0023998832 1.6404309e-06
2828 OUrea NT 1 0.0023998832 1.6404309e-06
2829 OUrea NL 1 0.0023998832 1.6404309e-06
2830 OUrea NR 1 0.0023998832 1.6404309e-06
2831 OUrea NZ 1 0.0023998832 1.6404309e-06
2832 OUrea NE 1 0.0023998832 1.6404309e-06
2833 OUrea C 1 0.0023522356 2.3162733e-06
2834 OUrea CH0 1 0.0023522356 2.3162733e-06
2835 OUrea CH1 1 0.0026235352 2.4373197e-06
2836 OUrea CH2 1 0.0033416526 2.7457313e-06
2837 OUrea CH3 1 0.0040247636 3.0964955e-06
2838 OUrea CH4 1 0.005581576 7.3913958e-06
2839 OUrea CH2r 1 0.0033416526 2.7457313e-06
2840 OUrea CR1 1 0.003614897 3.6389574e-06
2841 OUrea HC 1 0.000447304 1.550907e-07
2842 OUrea H 1 0 0
2843 OUrea DUM 1 0 0
2844 OUrea S 1 0.0048581104 4.5594144e-06
2845 OUrea CU1+ 1 0.000994279 9.0267831e-08
2846 OUrea CU2+ 1 0.000994279 9.0267831e-08
2847 OUrea FE 1 0 0
2848 OUrea ZN2+ 1 0.000994279 1.2250904e-07
2849 OUrea MG2+ 1 0.0003928496 7.3611342e-08
2850 OUrea CA2+ 1 0.001541254 8.8981713e-07
2851 OUrea P 1 0.005902468 5.9400999e-06
2852 OUrea AR 1 0.003848273 3.9567042e-06
2853 OUrea F 1 0.0016686384 1.099757e-06
2854 OUrea CL 1 0.0045518044 4.9313799e-06
2855 OUrea BR 1 0.008085506 1.0203203e-05
2856 OUrea CMet 1 0.0045804902 5.54796e-06
2857 OUrea OMet 1 0.0023123672 1.9228725e-06
2858 OUrea NA+ 1 0.00041273518 1.828305e-07
2859 OUrea CL- 1 0.00571285 1.3037706e-05
2860 OUrea CChl 1 0.002493817 2.5419744e-06
2861 OUrea CLChl 1 0.0044312754 4.6780651e-06
2862 OUrea HChl 1 0.0002985268 8.2682257e-08
2863 OUrea SDmso 1 0.0049966774 5.8462889e-06
2864 OUrea CDmso 1 0.004767191 6.5087658e-06
2865 OUrea ODmso 1 0.0023168402 1.0930238e-06
2866 OUrea CCl4 1 0.002493817 3.4760491e-06
2867 OUrea CLCl4 1 0.0042397126 4.5054479e-06
2868 OUrea FTFE 1 0.0016686384 1.2609e-06
2869 OUrea CTFE 1 0.0023522356 2.3162733e-06
2870 OUrea CHTFE 1 0.0040981798 6.4015893e-06
2871 OUrea OTFE 1 0.0023123672 1.5471243e-06
2872 OUrea CUrea 1 0.0033988297 4.6481818e-06
2873 OUrea OUrea 1 0.0023639044 1.5898688e-06
2874 NUrea O 1 0.0027538667 1.7116085e-06
2875 NUrea OM 1 0.0027538667 1.7116085e-06
2876 NUrea OA 1 0.0027538667 2.2361625e-06
2877 NUrea OE 1 0.0027538667 2.2361625e-06
2878 NUrea OW 1 0.0029623175 3.2260371e-06
2879 NUrea N 1 0.0028580921 2.5859977e-06
2880 NUrea NT 1 0.0028580921 2.5859977e-06
2881 NUrea NL 1 0.0028580921 2.5859977e-06
2882 NUrea NR 1 0.0028580921 2.5859977e-06
2883 NUrea NZ 1 0.0028580921 2.5859977e-06
2884 NUrea NE 1 0.0028580921 2.5859977e-06
2885 NUrea C 1 0.0028013471 3.6514049e-06
2886 NUrea CH0 1 0.0028013471 3.6514049e-06
2887 NUrea CH1 1 0.0031244459 3.8422241e-06
2888 NUrea CH2 1 0.0039796732 4.3284084e-06
2889 NUrea CH3 1 0.0047932103 4.8813579e-06
2890 NUrea CH4 1 0.0066472644 1.1651897e-05
2891 NUrea CH2r 1 0.0039796732 4.3284084e-06
2892 NUrea CR1 1 0.0043050881 5.7365022e-06
2893 NUrea HC 1 0.0005327076 2.444871e-07
2894 NUrea H 1 0 0
2895 NUrea DUM 1 0 0
2896 NUrea S 1 0.0057856678 7.1875232e-06
2897 NUrea CU1+ 1 0.0011841163 1.4229944e-07
2898 NUrea CU2+ 1 0.0011841163 1.4229944e-07
2899 NUrea FE 1 0 0
2900 NUrea ZN2+ 1 0.0011841163 1.9312493e-07
2901 NUrea MG2+ 1 0.00046785624 1.1604193e-07
2902 NUrea CA2+ 1 0.0018355251 1.4027199e-06
2903 NUrea P 1 0.0070294242 9.3640547e-06
2904 NUrea AR 1 0.0045830224 6.2374026e-06
2905 NUrea F 1 0.001987231 1.7336719e-06
2906 NUrea CL 1 0.0054208789 7.7738947e-06
2907 NUrea BR 1 0.0096292689 1.6084468e-05
2908 NUrea CMet 1 0.0054550416 8.74588e-06
2909 NUrea OMet 1 0.0027538667 3.0312425e-06
2910 NUrea NA+ 1 0.00049153857 2.882165e-07
2911 NUrea CL- 1 0.0068036025 2.0552818e-05
2912 NUrea CChl 1 0.0029699607 4.0072032e-06
2913 NUrea CLChl 1 0.0052773373 7.3745658e-06
2914 NUrea HChl 1 0.00035552442 1.3034144e-07
2915 NUrea SDmso 1 0.0059506913 9.2161698e-06
2916 NUrea CDmso 1 0.0056773891 1.0260507e-05
2917 NUrea ODmso 1 0.0027591938 1.7230576e-06
2918 NUrea CCl4 1 0.0029699607 5.4796914e-06
2919 NUrea CLCl4 1 0.0050491995 7.1024496e-06
2920 NUrea FTFE 1 0.001987231 1.9877e-06
2921 NUrea CTFE 1 0.0028013471 3.6514049e-06
2922 NUrea CHTFE 1 0.0048806439 1.0091553e-05
2923 NUrea OTFE 1 0.0027538667 2.4389079e-06
2924 NUrea CUrea 1 0.0040477671 7.3274573e-06
2925 NUrea OUrea 1 0.0028152439 2.5062909e-06
2926 NUrea NUrea 1 0.0033527574 3.9509513e-06
2927 SI O 1 0.005773784 4.0566421e-06
2928 SI OM 1 0.005773784 4.0566421e-06
2929 SI OA 1 0.005773784 5.299875e-06
2930 SI OE 1 0.005773784 5.299875e-06
2931 SI OW 1 0.006210824 7.645953e-06
2932 SI N 1 0.005992304 6.129011e-06
2933 SI NT 1 0.005992304 6.129011e-06
2934 SI NL 1 0.005992304 6.129011e-06
2935 SI NR 1 0.005992304 6.129011e-06
2936 SI NZ 1 0.005992304 6.129011e-06
2937 SI NE 1 0.005992304 6.129011e-06
2938 SI C 1 0.005873332 8.654107e-06
2939 SI CH0 1 0.005873332 8.654107e-06
2940 SI CH1 1 0.006550744 9.106363e-06
2941 SI CH2 1 0.008343822 1.0258657e-05
2942 SI CH3 1 0.010049492 1.1569189e-05
2943 SI CH4 1 0.01393672 2.7615882e-05
2944 SI CH2r 1 0.008343822 1.0258657e-05
2945 SI CR1 1 0.00902609 1.3595946e-05
2946 SI HC 1 0.00111688 5.79453e-07
2947 SI H 1 0 0
2948 SI DUM 1 0 0
2949 SI S 1 0.012130288 1.7034976e-05
2950 SI CU1+ 1 0.00248263 3.3726049e-07
2951 SI CU2+ 1 0.00248263 3.3726049e-07
2952 SI FE 1 0 0
2953 SI ZN2+ 1 0.00248263 4.5772076e-07
2954 SI MG2+ 1 0.000980912 2.7502818e-07
2955 SI CA2+ 1 0.00384838 3.3245527e-06
2956 SI P 1 0.01473796 2.2193521e-05
2957 SI AR 1 0.00960881 1.4783118e-05
2958 SI F 1 0.004166448 4.1089342e-06
2959 SI CL 1 0.011365468 1.8424721e-05
2960 SI BR 1 0.02018882 3.8121412e-05
2961 SI CMet 1 0.011437094 2.07284e-05
2962 SI OMet 1 0.005773784 7.184275e-06
2963 SI NA+ 1 0.0010305646 6.83095e-07
2964 SI CL- 1 0.0142645 4.871174e-05
2965 SI CChl 1 0.0062268488 9.497376e-06
2966 SI CLChl 1 0.011064517 1.7478281e-05
2967 SI HChl 1 0.000745396 3.0891911e-07
2968 SI SDmso 1 0.012476278 2.1843023e-05
2969 SI CDmso 1 0.01190327 2.4318182e-05
2970 SI ODmso 1 0.0057849528 4.0837775e-06
2971 SI CCl4 1 0.0062268488 1.2987285e-05
2972 SI CLCl4 1 0.010586201 1.6833345e-05
2973 SI FTFE 1 0.004166448 4.711e-06
2974 SI CTFE 1 0.005873332 8.654107e-06
2975 SI CHTFE 1 0.010232806 2.3917747e-05
2976 SI OTFE 1 0.005773784 5.780397e-06
2977 SI CUrea 1 0.0084865884 1.736663e-05
2978 SI OUrea 1 0.005902468 5.9400999e-06
2979 SI NUrea 1 0.0070294242 9.3640547e-06
2980 SI SI 1 0.01473796 2.2193521e-05