| blob | 9f29886a5324aad8fe714c801a7f8d6fb17b73f5 |
1 HEADER Pure Methanol - Yummie!
2 REMARK THIS IS A SIMULATION BOX
3 CRYST1 23.619 23.619 23.619 90.00 90.00 90.00 P 1 1
4 MODEL 1
5 ATOM 1 Me1 MeO 1 10.900 13.740 8.940 1.00 0.00
6 ATOM 2 O2 MeO 1 12.050 14.390 8.630 1.00 0.00
7 ATOM 3 H3 MeO 1 11.740 15.330 8.510 1.00 0.00
8 ATOM 4 Me1 MeO 2 8.800 22.170 21.070 1.00 0.00
9 ATOM 5 O2 MeO 2 9.420 23.380 21.010 1.00 0.00
10 ATOM 6 H3 MeO 2 10.410 23.310 20.890 1.00 0.00
11 ATOM 7 Me1 MeO 3 0.540 2.700 5.830 1.00 0.00
12 ATOM 8 O2 MeO 3 1.060 1.560 6.370 1.00 0.00
13 ATOM 9 H3 MeO 3 0.280 1.240 6.910 1.00 0.00
14 ATOM 10 Me1 MeO 4 11.530 20.540 12.090 1.00 0.00
15 ATOM 11 O2 MeO 4 12.470 20.870 11.150 1.00 0.00
16 ATOM 12 H3 MeO 4 12.960 20.140 10.690 1.00 0.00
17 ATOM 13 Me1 MeO 5 8.650 0.580 14.510 1.00 0.00
18 ATOM 14 O2 MeO 5 8.120 1.470 13.630 1.00 0.00
19 ATOM 15 H3 MeO 5 8.430 1.240 12.710 1.00 0.00
20 ATOM 16 Me1 MeO 6 8.270 19.060 9.950 1.00 0.00
21 ATOM 17 O2 MeO 6 8.850 18.050 9.240 1.00 0.00
22 ATOM 18 H3 MeO 6 8.270 17.230 9.310 1.00 0.00
23 ATOM 19 Me1 MeO 7 11.160 20.720 4.870 1.00 0.00
24 ATOM 20 O2 MeO 7 10.030 21.450 4.750 1.00 0.00
25 ATOM 21 H3 MeO 7 9.870 21.790 3.820 1.00 0.00
26 ATOM 22 Me1 MeO 8 8.560 11.920 19.510 1.00 0.00
27 ATOM 23 O2 MeO 8 7.740 12.940 19.130 1.00 0.00
28 ATOM 24 H3 MeO 8 6.830 12.910 19.530 1.00 0.00
29 ATOM 25 Me1 MeO 9 3.570 19.730 3.820 1.00 0.00
30 ATOM 26 O2 MeO 9 3.410 19.040 2.660 1.00 0.00
31 ATOM 27 H3 MeO 9 2.450 18.780 2.580 1.00 0.00
32 ATOM 28 Me1 MeO 10 13.590 -0.000 15.800 1.00 0.00
33 ATOM 29 O2 MeO 10 13.350 1.010 14.920 1.00 0.00
34 ATOM 30 H3 MeO 10 13.000 1.790 15.440 1.00 0.00
35 ATOM 31 Me1 MeO 11 15.040 16.270 3.180 1.00 0.00
36 ATOM 32 O2 MeO 11 14.610 15.180 2.500 1.00 0.00
37 ATOM 33 H3 MeO 11 15.060 14.410 2.970 1.00 0.00
38 ATOM 34 Me1 MeO 12 17.080 9.720 6.120 1.00 0.00
39 ATOM 35 O2 MeO 12 16.840 11.050 5.950 1.00 0.00
40 ATOM 36 H3 MeO 12 17.560 11.480 5.410 1.00 0.00
41 ATOM 37 Me1 MeO 13 11.700 14.010 14.770 1.00 0.00
42 ATOM 38 O2 MeO 13 11.500 12.880 14.050 1.00 0.00
43 ATOM 39 H3 MeO 13 11.420 12.130 14.710 1.00 0.00
44 ATOM 40 Me1 MeO 14 9.460 16.690 13.170 1.00 0.00
45 ATOM 41 O2 MeO 14 8.390 15.950 13.560 1.00 0.00
46 ATOM 42 H3 MeO 14 8.580 14.980 13.410 1.00 0.00
47 ATOM 43 Me1 MeO 15 17.670 14.070 16.150 1.00 0.00
48 ATOM 44 O2 MeO 15 17.100 14.590 17.270 1.00 0.00
49 ATOM 45 H3 MeO 15 17.770 15.150 17.760 1.00 0.00
50 ATOM 46 Me1 MeO 16 15.880 12.000 2.770 1.00 0.00
51 ATOM 47 O2 MeO 16 15.640 13.120 3.510 1.00 0.00
52 ATOM 48 H3 MeO 16 15.250 12.740 4.350 1.00 0.00
53 ATOM 49 Me1 MeO 17 15.720 13.190 10.890 1.00 0.00
54 ATOM 50 O2 MeO 17 15.090 14.080 10.070 1.00 0.00
55 ATOM 51 H3 MeO 17 15.540 14.190 9.180 1.00 0.00
56 ATOM 52 Me1 MeO 18 12.630 1.730 20.610 1.00 0.00
57 ATOM 53 O2 MeO 18 11.880 0.900 19.840 1.00 0.00
58 ATOM 54 H3 MeO 18 12.250 -0.020 19.740 1.00 0.00
59 ATOM 55 Me1 MeO 19 20.580 20.490 16.150 1.00 0.00
60 ATOM 56 O2 MeO 19 21.130 19.330 15.700 1.00 0.00
61 ATOM 57 H3 MeO 19 20.520 19.040 14.970 1.00 0.00
62 ATOM 58 Me1 MeO 20 7.960 18.810 19.860 1.00 0.00
63 ATOM 59 O2 MeO 20 8.940 18.300 19.060 1.00 0.00
64 ATOM 60 H3 MeO 20 9.250 19.000 18.410 1.00 0.00
65 ATOM 61 Me1 MeO 21 22.210 5.490 1.790 1.00 0.00
66 ATOM 62 O2 MeO 21 21.160 5.570 2.650 1.00 0.00
67 ATOM 63 H3 MeO 21 20.280 5.420 2.190 1.00 0.00
68 ATOM 64 Me1 MeO 22 16.600 14.730 23.430 1.00 0.00
69 ATOM 65 O2 MeO 22 16.860 14.780 22.100 1.00 0.00
70 ATOM 66 H3 MeO 22 16.120 14.310 21.630 1.00 0.00
71 ATOM 67 Me1 MeO 23 21.490 1.450 11.130 1.00 0.00
72 ATOM 68 O2 MeO 23 20.930 0.760 10.110 1.00 0.00
73 ATOM 69 H3 MeO 23 20.000 0.460 10.330 1.00 0.00
74 ATOM 70 Me1 MeO 24 20.350 15.500 3.160 1.00 0.00
75 ATOM 71 O2 MeO 24 20.810 15.860 4.380 1.00 0.00
76 ATOM 72 H3 MeO 24 20.160 16.510 4.770 1.00 0.00
77 ATOM 73 Me1 MeO 25 1.460 15.010 17.200 1.00 0.00
78 ATOM 74 O2 MeO 25 2.240 15.610 18.140 1.00 0.00
79 ATOM 75 H3 MeO 25 3.070 16.090 17.860 1.00 0.00
80 ATOM 76 Me1 MeO 26 7.050 18.600 15.020 1.00 0.00
81 ATOM 77 O2 MeO 26 6.520 17.350 15.040 1.00 0.00
82 ATOM 78 H3 MeO 26 7.160 16.700 14.620 1.00 0.00
83 ATOM 79 Me1 MeO 27 18.030 16.430 9.210 1.00 0.00
84 ATOM 80 O2 MeO 27 18.740 17.110 10.140 1.00 0.00
85 ATOM 81 H3 MeO 27 19.110 17.920 9.700 1.00 0.00
86 ATOM 82 Me1 MeO 28 5.280 9.010 21.650 1.00 0.00
87 ATOM 83 O2 MeO 28 5.620 10.310 21.440 1.00 0.00
88 ATOM 84 H3 MeO 28 5.510 10.750 22.330 1.00 0.00
89 ATOM 85 Me1 MeO 29 15.740 21.840 22.290 1.00 0.00
90 ATOM 86 O2 MeO 29 15.370 22.410 23.470 1.00 0.00
91 ATOM 87 H3 MeO 29 14.710 23.150 23.320 1.00 0.00
92 ATOM 88 Me1 MeO 30 7.740 9.100 14.280 1.00 0.00
93 ATOM 89 O2 MeO 30 8.020 8.330 15.360 1.00 0.00
94 ATOM 90 H3 MeO 30 7.240 8.460 15.980 1.00 0.00
95 ATOM 91 Me1 MeO 31 22.290 7.960 9.830 1.00 0.00
96 ATOM 92 O2 MeO 31 22.070 7.830 11.170 1.00 0.00
97 ATOM 93 H3 MeO 31 21.220 7.340 11.350 1.00 0.00
98 ATOM 94 Me1 MeO 32 19.130 5.940 15.270 1.00 0.00
99 ATOM 95 O2 MeO 32 18.560 7.100 15.690 1.00 0.00
100 ATOM 96 H3 MeO 32 17.920 7.420 14.990 1.00 0.00
101 ATOM 97 Me1 MeO 33 9.890 23.340 1.480 1.00 0.00
102 ATOM 98 O2 MeO 33 10.300 22.250 2.170 1.00 0.00
103 ATOM 99 H3 MeO 33 10.550 21.550 1.500 1.00 0.00
104 ATOM 100 Me1 MeO 34 0.680 12.980 13.690 1.00 0.00
105 ATOM 101 O2 MeO 34 1.890 12.580 14.160 1.00 0.00
106 ATOM 102 H3 MeO 34 2.620 13.250 14.000 1.00 0.00
107 ATOM 103 Me1 MeO 35 -0.140 11.430 10.950 1.00 0.00
108 ATOM 104 O2 MeO 35 0.580 10.740 10.020 1.00 0.00
109 ATOM 105 H3 MeO 35 1.080 10.080 10.580 1.00 0.00
110 ATOM 106 Me1 MeO 36 20.450 8.710 5.310 1.00 0.00
111 ATOM 107 O2 MeO 36 20.230 9.660 6.260 1.00 0.00
112 ATOM 108 H3 MeO 36 21.070 9.620 6.810 1.00 0.00
113 ATOM 109 Me1 MeO 37 1.150 18.890 11.300 1.00 0.00
114 ATOM 110 O2 MeO 37 1.970 18.380 10.340 1.00 0.00
115 ATOM 111 H3 MeO 37 2.930 18.270 10.580 1.00 0.00
116 ATOM 112 Me1 MeO 38 14.910 17.060 16.760 1.00 0.00
117 ATOM 113 O2 MeO 38 13.760 16.560 17.290 1.00 0.00
118 ATOM 114 H3 MeO 38 13.520 17.090 18.100 1.00 0.00
119 ATOM 115 Me1 MeO 39 18.690 7.460 19.300 1.00 0.00
120 ATOM 116 O2 MeO 39 17.930 8.540 19.000 1.00 0.00
121 ATOM 117 H3 MeO 39 17.140 8.510 19.620 1.00 0.00
122 ATOM 118 Me1 MeO 40 2.840 15.180 21.160 1.00 0.00
123 ATOM 119 O2 MeO 40 3.620 14.070 21.240 1.00 0.00
124 ATOM 120 H3 MeO 40 4.220 14.010 20.450 1.00 0.00
125 ATOM 121 Me1 MeO 41 6.310 3.560 4.590 1.00 0.00
126 ATOM 122 O2 MeO 41 5.550 4.490 3.950 1.00 0.00
127 ATOM 123 H3 MeO 41 5.530 4.210 2.990 1.00 0.00
128 ATOM 124 Me1 MeO 42 5.300 -0.330 -0.110 1.00 0.00
129 ATOM 125 O2 MeO 42 5.390 0.770 0.680 1.00 0.00
130 ATOM 126 H3 MeO 42 5.330 0.590 1.660 1.00 0.00
131 ATOM 127 Me1 MeO 43 13.470 5.560 2.830 1.00 0.00
132 ATOM 128 O2 MeO 43 13.800 4.260 3.070 1.00 0.00
133 ATOM 129 H3 MeO 43 13.040 3.630 3.250 1.00 0.00
134 ATOM 130 Me1 MeO 44 1.180 19.290 22.660 1.00 0.00
135 ATOM 131 O2 MeO 44 -0.120 18.880 22.630 1.00 0.00
136 ATOM 132 H3 MeO 44 -0.380 18.890 21.660 1.00 0.00
137 ATOM 133 Me1 MeO 45 19.850 19.190 4.700 1.00 0.00
138 ATOM 134 O2 MeO 45 19.760 18.020 5.390 1.00 0.00
139 ATOM 135 H3 MeO 45 20.430 18.180 6.120 1.00 0.00
140 ATOM 136 Me1 MeO 46 18.320 2.130 24.070 1.00 0.00
141 ATOM 137 O2 MeO 46 17.310 1.890 23.190 1.00 0.00
142 ATOM 138 H3 MeO 46 17.440 2.570 22.470 1.00 0.00
143 ATOM 139 Me1 MeO 47 21.150 21.740 12.430 1.00 0.00
144 ATOM 140 O2 MeO 47 21.340 21.280 11.160 1.00 0.00
145 ATOM 141 H3 MeO 47 22.280 21.530 10.920 1.00 0.00
146 ATOM 142 Me1 MeO 48 14.790 9.840 9.630 1.00 0.00
147 ATOM 143 O2 MeO 48 13.550 9.680 9.090 1.00 0.00
148 ATOM 144 H3 MeO 48 13.750 9.140 8.270 1.00 0.00
149 ATOM 145 Me1 MeO 49 4.380 10.710 3.330 1.00 0.00
150 ATOM 146 O2 MeO 49 4.060 11.160 2.080 1.00 0.00
151 ATOM 147 H3 MeO 49 3.330 11.840 2.020 1.00 0.00
152 ATOM 148 Me1 MeO 50 9.220 8.950 22.100 1.00 0.00
153 ATOM 149 O2 MeO 50 10.250 9.830 21.970 1.00 0.00
154 ATOM 150 H3 MeO 50 10.460 9.940 21.000 1.00 0.00
155 ATOM 151 Me1 MeO 51 5.460 12.240 14.970 1.00 0.00
156 ATOM 152 O2 MeO 51 5.610 13.590 14.940 1.00 0.00
157 ATOM 153 H3 MeO 51 6.350 13.860 15.550 1.00 0.00
158 ATOM 154 Me1 MeO 52 9.440 21.230 16.480 1.00 0.00
159 ATOM 155 O2 MeO 52 8.700 20.390 17.250 1.00 0.00
160 ATOM 156 H3 MeO 52 7.910 20.930 17.520 1.00 0.00
161 ATOM 157 Me1 MeO 53 4.150 20.280 17.540 1.00 0.00
162 ATOM 158 O2 MeO 53 4.580 20.770 18.740 1.00 0.00
163 ATOM 159 H3 MeO 53 3.760 21.180 19.150 1.00 0.00
164 ATOM 160 Me1 MeO 54 21.750 -0.110 7.190 1.00 0.00
165 ATOM 161 O2 MeO 54 22.220 1.050 7.720 1.00 0.00
166 ATOM 162 H3 MeO 54 21.660 1.280 8.520 1.00 0.00
167 ATOM 163 Me1 MeO 55 18.490 10.490 10.260 1.00 0.00
168 ATOM 164 O2 MeO 55 18.850 9.310 9.680 1.00 0.00
169 ATOM 165 H3 MeO 55 19.460 9.530 8.910 1.00 0.00
170 ATOM 166 Me1 MeO 56 5.900 7.250 5.930 1.00 0.00
171 ATOM 167 O2 MeO 56 5.890 5.920 6.180 1.00 0.00
172 ATOM 168 H3 MeO 56 5.660 5.500 5.300 1.00 0.00
173 ATOM 169 Me1 MeO 57 20.320 13.510 8.230 1.00 0.00
174 ATOM 170 O2 MeO 57 21.100 12.590 7.590 1.00 0.00
175 ATOM 171 H3 MeO 57 22.000 13.010 7.640 1.00 0.00
176 ATOM 172 Me1 MeO 58 9.050 4.170 1.930 1.00 0.00
177 ATOM 173 O2 MeO 58 10.280 3.580 2.000 1.00 0.00
178 ATOM 174 H3 MeO 58 10.520 3.620 2.970 1.00 0.00
179 ATOM 175 Me1 MeO 59 3.360 9.990 8.200 1.00 0.00
180 ATOM 176 O2 MeO 59 2.970 9.300 9.310 1.00 0.00
181 ATOM 177 H3 MeO 59 2.660 8.390 9.030 1.00 0.00
182 ATOM 178 Me1 MeO 60 -0.550 15.000 11.000 1.00 0.00
183 ATOM 179 O2 MeO 60 0.460 14.600 10.190 1.00 0.00
184 ATOM 180 H3 MeO 60 1.350 14.690 10.650 1.00 0.00
185 ATOM 181 Me1 MeO 61 8.630 15.260 16.840 1.00 0.00
186 ATOM 182 O2 MeO 61 7.900 14.160 16.530 1.00 0.00
187 ATOM 183 H3 MeO 61 8.030 13.590 17.340 1.00 0.00
188 ATOM 184 Me1 MeO 62 11.970 10.830 19.070 1.00 0.00
189 ATOM 185 O2 MeO 62 11.210 9.790 19.500 1.00 0.00
190 ATOM 186 H3 MeO 62 11.600 9.020 18.980 1.00 0.00
191 ATOM 187 Me1 MeO 63 23.080 12.900 4.170 1.00 0.00
192 ATOM 188 O2 MeO 63 23.330 14.150 3.690 1.00 0.00
193 ATOM 189 H3 MeO 63 22.440 14.590 3.710 1.00 0.00
194 ATOM 190 Me1 MeO 64 2.160 22.630 20.560 1.00 0.00
195 ATOM 191 O2 MeO 64 1.970 21.640 19.650 1.00 0.00
196 ATOM 192 H3 MeO 64 1.130 21.110 19.800 1.00 0.00
197 ATOM 193 Me1 MeO 65 2.430 6.610 7.230 1.00 0.00
198 ATOM 194 O2 MeO 65 2.460 6.930 8.550 1.00 0.00
199 ATOM 195 H3 MeO 65 2.070 6.110 8.960 1.00 0.00
200 ATOM 196 Me1 MeO 66 20.690 5.110 6.140 1.00 0.00
201 ATOM 197 O2 MeO 66 21.750 5.520 5.390 1.00 0.00
202 ATOM 198 H3 MeO 66 21.360 5.410 4.480 1.00 0.00
203 ATOM 199 Me1 MeO 67 0.960 21.540 16.150 1.00 0.00
204 ATOM 200 O2 MeO 67 1.680 20.560 15.550 1.00 0.00
205 ATOM 201 H3 MeO 67 0.960 19.880 15.400 1.00 0.00
206 ATOM 202 Me1 MeO 68 14.520 12.530 17.030 1.00 0.00
207 ATOM 203 O2 MeO 68 15.150 13.120 18.080 1.00 0.00
208 ATOM 204 H3 MeO 68 15.880 13.730 17.770 1.00 0.00
209 ATOM 205 Me1 MeO 69 5.090 18.330 22.990 1.00 0.00
210 ATOM 206 O2 MeO 69 6.440 18.230 22.860 1.00 0.00
211 ATOM 207 H3 MeO 69 6.650 17.260 22.750 1.00 0.00
212 ATOM 208 Me1 MeO 70 13.110 4.370 10.250 1.00 0.00
213 ATOM 209 O2 MeO 70 14.430 4.650 10.110 1.00 0.00
214 ATOM 210 H3 MeO 70 14.660 4.990 11.020 1.00 0.00
215 ATOM 211 Me1 MeO 71 22.660 0.950 0.250 1.00 0.00
216 ATOM 212 O2 MeO 71 23.680 1.610 -0.350 1.00 0.00
217 ATOM 213 H3 MeO 71 24.300 1.990 0.340 1.00 0.00
218 ATOM 214 Me1 MeO 72 0.960 8.650 3.210 1.00 0.00
219 ATOM 215 O2 MeO 72 0.680 8.670 1.870 1.00 0.00
220 ATOM 216 H3 MeO 72 1.230 8.020 1.360 1.00 0.00
221 ATOM 217 Me1 MeO 73 11.630 18.190 7.730 1.00 0.00
222 ATOM 218 O2 MeO 73 10.980 17.030 8.020 1.00 0.00
223 ATOM 219 H3 MeO 73 10.180 17.490 8.420 1.00 0.00
224 ATOM 220 Me1 MeO 74 20.500 3.840 18.950 1.00 0.00
225 ATOM 221 O2 MeO 74 20.160 3.680 20.260 1.00 0.00
226 ATOM 222 H3 MeO 74 21.000 3.400 20.720 1.00 0.00
227 ATOM 223 Me1 MeO 75 1.860 3.280 2.530 1.00 0.00
228 ATOM 224 O2 MeO 75 2.070 2.570 1.390 1.00 0.00
229 ATOM 225 H3 MeO 75 2.240 1.660 1.760 1.00 0.00
230 ATOM 226 Me1 MeO 76 8.260 14.780 5.850 1.00 0.00
231 ATOM 227 O2 MeO 76 7.870 14.230 4.680 1.00 0.00
232 ATOM 228 H3 MeO 76 8.650 13.700 4.340 1.00 0.00
233 ATOM 229 Me1 MeO 77 13.510 16.080 12.330 1.00 0.00
234 ATOM 230 O2 MeO 77 13.610 16.120 10.980 1.00 0.00
235 ATOM 231 H3 MeO 77 14.060 15.270 10.720 1.00 0.00
236 ATOM 232 Me1 MeO 78 4.420 10.490 12.160 1.00 0.00
237 ATOM 233 O2 MeO 78 3.330 11.070 11.590 1.00 0.00
238 ATOM 234 H3 MeO 78 3.180 10.720 10.670 1.00 0.00
239 ATOM 235 Me1 MeO 79 5.140 -0.830 4.300 1.00 0.00
240 ATOM 236 O2 MeO 79 5.090 0.100 3.300 1.00 0.00
241 ATOM 237 H3 MeO 79 4.730 0.890 3.790 1.00 0.00
242 ATOM 238 Me1 MeO 80 18.350 20.250 20.400 1.00 0.00
243 ATOM 239 O2 MeO 80 19.500 19.640 20.010 1.00 0.00
244 ATOM 240 H3 MeO 80 19.320 18.720 20.350 1.00 0.00
245 ATOM 241 Me1 MeO 81 5.390 12.230 6.450 1.00 0.00
246 ATOM 242 O2 MeO 81 6.050 12.180 5.270 1.00 0.00
247 ATOM 243 H3 MeO 81 6.590 12.990 5.050 1.00 0.00
248 ATOM 244 Me1 MeO 82 5.440 17.350 11.610 1.00 0.00
249 ATOM 245 O2 MeO 82 4.240 17.980 11.550 1.00 0.00
250 ATOM 246 H3 MeO 82 4.160 18.680 12.260 1.00 0.00
251 ATOM 247 Me1 MeO 83 5.260 4.870 9.390 1.00 0.00
252 ATOM 248 O2 MeO 83 6.220 4.700 8.450 1.00 0.00
253 ATOM 249 H3 MeO 83 5.990 5.200 7.620 1.00 0.00
254 ATOM 250 Me1 MeO 84 4.390 2.740 20.900 1.00 0.00
255 ATOM 251 O2 MeO 84 5.310 2.200 20.040 1.00 0.00
256 ATOM 252 H3 MeO 84 6.170 2.320 20.530 1.00 0.00
257 ATOM 253 Me1 MeO 85 8.070 23.250 7.360 1.00 0.00
258 ATOM 254 O2 MeO 85 6.810 22.740 7.310 1.00 0.00
259 ATOM 255 H3 MeO 85 6.810 22.220 6.450 1.00 0.00
260 ATOM 256 Me1 MeO 86 12.700 6.780 19.670 1.00 0.00
261 ATOM 257 O2 MeO 86 12.560 7.750 18.730 1.00 0.00
262 ATOM 258 H3 MeO 86 13.360 7.720 18.140 1.00 0.00
263 ATOM 259 Me1 MeO 87 5.010 1.310 10.390 1.00 0.00
264 ATOM 260 O2 MeO 87 3.670 1.250 10.210 1.00 0.00
265 ATOM 261 H3 MeO 87 3.510 1.620 9.290 1.00 0.00
266 ATOM 262 Me1 MeO 88 14.260 7.270 23.170 1.00 0.00
267 ATOM 263 O2 MeO 88 14.020 8.320 22.340 1.00 0.00
268 ATOM 264 H3 MeO 88 13.490 9.090 22.690 1.00 0.00
269 ATOM 265 Me1 MeO 89 21.990 10.800 0.760 1.00 0.00
270 ATOM 266 O2 MeO 89 21.890 9.540 1.240 1.00 0.00
271 ATOM 267 H3 MeO 89 22.830 9.210 1.400 1.00 0.00
272 ATOM 268 Me1 MeO 90 2.340 6.350 23.070 1.00 0.00
273 ATOM 269 O2 MeO 90 1.120 6.810 23.450 1.00 0.00
274 ATOM 270 H3 MeO 90 0.700 7.010 22.560 1.00 0.00
275 ATOM 271 Me1 MeO 91 21.450 11.750 16.460 1.00 0.00
276 ATOM 272 O2 MeO 91 20.190 11.720 15.940 1.00 0.00
277 ATOM 273 H3 MeO 91 19.680 10.880 16.130 1.00 0.00
278 ATOM 274 Me1 MeO 92 16.200 3.290 16.220 1.00 0.00
279 ATOM 275 O2 MeO 92 16.140 3.700 14.920 1.00 0.00
280 ATOM 276 H3 MeO 92 17.060 3.410 14.680 1.00 0.00
281 ATOM 277 Me1 MeO 93 11.220 10.440 11.390 1.00 0.00
282 ATOM 278 O2 MeO 93 11.160 10.520 10.030 1.00 0.00
283 ATOM 279 H3 MeO 93 12.000 10.210 9.570 1.00 0.00
284 ATOM 280 Me1 MeO 94 10.690 6.650 10.620 1.00 0.00
285 ATOM 281 O2 MeO 94 9.700 6.830 11.540 1.00 0.00
286 ATOM 282 H3 MeO 94 9.050 7.470 11.120 1.00 0.00
287 ATOM 283 Me1 MeO 95 14.830 17.680 20.750 1.00 0.00
288 ATOM 284 O2 MeO 95 13.930 17.590 19.740 1.00 0.00
289 ATOM 285 H3 MeO 95 13.030 17.590 20.190 1.00 0.00
290 ATOM 286 Me1 MeO 96 7.150 20.830 1.510 1.00 0.00
291 ATOM 287 O2 MeO 96 7.950 20.140 0.670 1.00 0.00
292 ATOM 288 H3 MeO 96 7.390 19.540 0.100 1.00 0.00
293 ATOM 289 Me1 MeO 97 8.950 8.650 4.270 1.00 0.00
294 ATOM 290 O2 MeO 97 9.430 7.730 3.390 1.00 0.00
295 ATOM 291 H3 MeO 97 8.770 7.520 2.670 1.00 0.00
296 ATOM 292 Me1 MeO 98 23.550 9.920 6.640 1.00 0.00
297 ATOM 293 O2 MeO 98 22.690 10.040 7.680 1.00 0.00
298 ATOM 294 H3 MeO 98 23.130 10.520 8.440 1.00 0.00
299 ATOM 295 Me1 MeO 99 21.670 15.820 17.790 1.00 0.00
300 ATOM 296 O2 MeO 99 21.230 16.930 18.430 1.00 0.00
301 ATOM 297 H3 MeO 99 22.100 17.380 18.630 1.00 0.00
302 ATOM 298 Me1 MeO 100 21.750 8.190 16.780 1.00 0.00
303 ATOM 299 O2 MeO 100 20.880 8.690 15.870 1.00 0.00
304 ATOM 300 H3 MeO 100 19.990 8.290 16.080 1.00 0.00
305 ATOM 301 Me1 MeO 101 9.690 1.950 17.540 1.00 0.00
306 ATOM 302 O2 MeO 101 10.800 2.540 18.050 1.00 0.00
307 ATOM 303 H3 MeO 101 10.960 2.030 18.890 1.00 0.00
308 ATOM 304 Me1 MeO 102 24.240 18.640 18.770 1.00 0.00
309 ATOM 305 O2 MeO 102 23.170 18.730 19.610 1.00 0.00
310 ATOM 306 H3 MeO 102 22.780 19.590 19.290 1.00 0.00
311 ATOM 307 Me1 MeO 103 8.250 12.600 12.490 1.00 0.00
312 ATOM 308 O2 MeO 103 8.950 13.420 13.310 1.00 0.00
313 ATOM 309 H3 MeO 103 9.900 13.140 13.450 1.00 0.00
314 ATOM 310 Me1 MeO 104 21.370 2.180 3.370 1.00 0.00
315 ATOM 311 O2 MeO 104 21.610 0.850 3.560 1.00 0.00
316 ATOM 312 H3 MeO 104 20.730 0.380 3.660 1.00 0.00
317 ATOM 313 Me1 MeO 105 14.710 19.910 1.940 1.00 0.00
318 ATOM 314 O2 MeO 105 15.670 19.210 2.580 1.00 0.00
319 ATOM 315 H3 MeO 105 15.650 19.500 3.540 1.00 0.00
320 ATOM 316 Me1 MeO 106 22.090 6.890 20.910 1.00 0.00
321 ATOM 317 O2 MeO 106 23.290 7.480 21.200 1.00 0.00
322 ATOM 318 H3 MeO 106 23.530 8.300 20.680 1.00 0.00
323 ATOM 319 Me1 MeO 107 2.310 11.200 22.410 1.00 0.00
324 ATOM 320 O2 MeO 107 2.320 11.600 21.110 1.00 0.00
325 ATOM 321 H3 MeO 107 2.940 12.380 21.070 1.00 0.00
326 ATOM 322 Me1 MeO 108 6.600 8.550 18.810 1.00 0.00
327 ATOM 323 O2 MeO 108 6.530 8.430 17.460 1.00 0.00
328 ATOM 324 H3 MeO 108 5.630 8.610 17.070 1.00 0.00
329 ATOM 325 Me1 MeO 109 11.070 19.930 -0.470 1.00 0.00
330 ATOM 326 O2 MeO 109 10.560 20.020 0.790 1.00 0.00
331 ATOM 327 H3 MeO 109 9.560 20.020 0.770 1.00 0.00
332 ATOM 328 Me1 MeO 110 10.000 4.330 13.400 1.00 0.00
333 ATOM 329 O2 MeO 110 10.620 5.540 13.500 1.00 0.00
334 ATOM 330 H3 MeO 110 10.280 6.020 12.690 1.00 0.00
335 ATOM 331 Me1 MeO 111 20.950 18.050 12.540 1.00 0.00
336 ATOM 332 O2 MeO 111 20.210 17.910 13.660 1.00 0.00
337 ATOM 333 H3 MeO 111 19.360 17.450 13.400 1.00 0.00
338 ATOM 334 Me1 MeO 112 1.540 1.470 13.040 1.00 0.00
339 ATOM 335 O2 MeO 112 2.400 2.270 12.350 1.00 0.00
340 ATOM 336 H3 MeO 112 2.730 1.760 11.550 1.00 0.00
341 ATOM 337 Me1 MeO 113 6.760 8.210 1.230 1.00 0.00
342 ATOM 338 O2 MeO 113 7.690 7.230 1.040 1.00 0.00
343 ATOM 339 H3 MeO 113 7.580 6.940 0.090 1.00 0.00
344 ATOM 340 Me1 MeO 114 17.950 22.600 10.090 1.00 0.00
345 ATOM 341 O2 MeO 114 18.640 23.430 10.920 1.00 0.00
346 ATOM 342 H3 MeO 114 18.790 22.800 11.680 1.00 0.00
347 ATOM 343 Me1 MeO 115 3.780 2.500 6.650 1.00 0.00
348 ATOM 344 O2 MeO 115 3.610 1.150 6.540 1.00 0.00
349 ATOM 345 H3 MeO 115 2.650 1.090 6.290 1.00 0.00
350 ATOM 346 Me1 MeO 116 3.960 21.140 12.440 1.00 0.00
351 ATOM 347 O2 MeO 116 3.780 19.970 13.130 1.00 0.00
352 ATOM 348 H3 MeO 116 3.390 20.110 14.040 1.00 0.00
353 ATOM 349 Me1 MeO 117 14.360 21.420 6.720 1.00 0.00
354 ATOM 350 O2 MeO 117 14.610 21.310 5.390 1.00 0.00
355 ATOM 351 H3 MeO 117 14.570 22.220 4.990 1.00 0.00
356 ATOM 352 Me1 MeO 118 13.700 13.880 21.150 1.00 0.00
357 ATOM 353 O2 MeO 118 14.940 13.870 20.590 1.00 0.00
358 ATOM 354 H3 MeO 118 14.890 13.610 19.630 1.00 0.00
359 ATOM 355 Me1 MeO 119 21.010 19.430 1.250 1.00 0.00
360 ATOM 356 O2 MeO 119 22.260 19.880 0.990 1.00 0.00
361 ATOM 357 H3 MeO 119 22.680 19.500 0.160 1.00 0.00
362 ATOM 358 Me1 MeO 120 3.330 5.770 12.460 1.00 0.00
363 ATOM 359 O2 MeO 120 1.980 5.630 12.300 1.00 0.00
364 ATOM 360 H3 MeO 120 1.530 6.500 12.490 1.00 0.00
365 ATOM 361 Me1 MeO 121 4.550 11.760 18.700 1.00 0.00
366 ATOM 362 O2 MeO 121 5.280 12.210 19.760 1.00 0.00
367 ATOM 363 H3 MeO 121 5.460 11.440 20.370 1.00 0.00
368 ATOM 364 Me1 MeO 122 22.330 4.550 13.640 1.00 0.00
369 ATOM 365 O2 MeO 122 22.640 3.460 14.400 1.00 0.00
370 ATOM 366 H3 MeO 122 23.610 3.480 14.630 1.00 0.00
371 ATOM 367 Me1 MeO 123 -0.660 10.400 19.730 1.00 0.00
372 ATOM 368 O2 MeO 123 0.500 9.750 20.000 1.00 0.00
373 ATOM 369 H3 MeO 123 1.180 10.350 20.420 1.00 0.00
374 ATOM 370 Me1 MeO 124 20.580 14.330 13.610 1.00 0.00
375 ATOM 371 O2 MeO 124 20.480 14.150 14.960 1.00 0.00
376 ATOM 372 H3 MeO 124 20.270 13.190 15.110 1.00 0.00
377 ATOM 373 Me1 MeO 125 16.200 5.870 12.530 1.00 0.00
378 ATOM 374 O2 MeO 125 15.200 4.970 12.750 1.00 0.00
379 ATOM 375 H3 MeO 125 15.390 4.540 13.630 1.00 0.00
380 ATOM 376 Me1 MeO 126 20.650 4.910 10.270 1.00 0.00
381 ATOM 377 O2 MeO 126 19.960 5.940 10.830 1.00 0.00
382 ATOM 378 H3 MeO 126 18.990 5.980 10.580 1.00 0.00
383 ATOM 379 Me1 MeO 127 18.870 13.440 19.870 1.00 0.00
384 ATOM 380 O2 MeO 127 18.930 14.710 20.360 1.00 0.00
385 ATOM 381 H3 MeO 127 18.200 14.940 21.000 1.00 0.00
386 ATOM 382 Me1 MeO 128 23.700 17.400 14.950 1.00 0.00
387 ATOM 383 O2 MeO 128 23.510 18.680 15.350 1.00 0.00
388 ATOM 384 H3 MeO 128 22.530 18.720 15.550 1.00 0.00
389 ATOM 385 Me1 MeO 129 18.520 22.380 2.510 1.00 0.00
390 ATOM 386 O2 MeO 129 18.930 23.390 3.330 1.00 0.00
391 ATOM 387 H3 MeO 129 18.580 23.270 4.260 1.00 0.00
392 ATOM 388 Me1 MeO 130 1.400 12.950 7.580 1.00 0.00
393 ATOM 389 O2 MeO 130 0.200 13.490 7.930 1.00 0.00
394 ATOM 390 H3 MeO 130 0.420 14.040 8.740 1.00 0.00
395 ATOM 391 Me1 MeO 131 0.920 3.490 9.750 1.00 0.00
396 ATOM 392 O2 MeO 131 1.330 4.750 10.060 1.00 0.00
397 ATOM 393 H3 MeO 131 1.360 4.880 11.050 1.00 0.00
398 ATOM 394 Me1 MeO 132 7.820 18.930 6.360 1.00 0.00
399 ATOM 395 O2 MeO 132 7.280 20.090 5.900 1.00 0.00
400 ATOM 396 H3 MeO 132 8.100 20.620 5.690 1.00 0.00
401 ATOM 397 Me1 MeO 133 4.300 16.870 7.780 1.00 0.00
402 ATOM 398 O2 MeO 133 5.190 15.990 7.240 1.00 0.00
403 ATOM 399 H3 MeO 133 4.830 15.920 6.300 1.00 0.00
404 ATOM 400 Me1 MeO 134 18.020 -0.890 6.360 1.00 0.00
405 ATOM 401 O2 MeO 134 17.630 0.190 5.630 1.00 0.00
406 ATOM 402 H3 MeO 134 17.650 1.050 6.150 1.00 0.00
407 ATOM 403 Me1 MeO 135 13.070 6.950 7.160 1.00 0.00
408 ATOM 404 O2 MeO 135 13.830 8.070 7.100 1.00 0.00
409 ATOM 405 H3 MeO 135 13.910 8.280 6.130 1.00 0.00
410 ATOM 406 Me1 MeO 136 9.820 5.830 6.590 1.00 0.00
411 ATOM 407 O2 MeO 136 9.930 4.480 6.410 1.00 0.00
412 ATOM 408 H3 MeO 136 9.180 4.140 6.990 1.00 0.00
413 ATOM 409 Me1 MeO 137 5.620 4.840 0.650 1.00 0.00
414 ATOM 410 O2 MeO 137 5.610 3.710 1.400 1.00 0.00
415 ATOM 411 H3 MeO 137 5.650 2.950 0.760 1.00 0.00
416 ATOM 412 Me1 MeO 138 17.070 22.660 13.790 1.00 0.00
417 ATOM 413 O2 MeO 138 18.100 22.070 13.130 1.00 0.00
418 ATOM 414 H3 MeO 138 17.780 21.150 12.940 1.00 0.00
419 ATOM 415 Me1 MeO 139 4.150 7.740 15.470 1.00 0.00
420 ATOM 416 O2 MeO 139 4.340 9.040 15.790 1.00 0.00
421 ATOM 417 H3 MeO 139 3.510 9.600 15.730 1.00 0.00
422 ATOM 418 Me1 MeO 140 13.310 12.520 6.500 1.00 0.00
423 ATOM 419 O2 MeO 140 14.400 12.420 5.700 1.00 0.00
424 ATOM 420 H3 MeO 140 14.850 11.560 5.970 1.00 0.00
425 ATOM 421 Me1 MeO 141 21.980 17.480 8.140 1.00 0.00
426 ATOM 422 O2 MeO 141 22.000 18.560 7.320 1.00 0.00
427 ATOM 423 H3 MeO 141 22.970 18.790 7.310 1.00 0.00
428 ATOM 424 Me1 MeO 142 1.510 6.300 18.240 1.00 0.00
429 ATOM 425 O2 MeO 142 0.510 6.290 17.320 1.00 0.00
430 ATOM 426 H3 MeO 142 0.720 5.470 16.790 1.00 0.00
431 ATOM 427 Me1 MeO 143 19.150 19.820 7.890 1.00 0.00
432 ATOM 428 O2 MeO 143 19.650 19.390 9.080 1.00 0.00
433 ATOM 429 H3 MeO 143 20.630 19.330 8.900 1.00 0.00
434 ATOM 430 Me1 MeO 144 16.830 3.780 3.740 1.00 0.00
435 ATOM 431 O2 MeO 144 16.300 4.250 2.580 1.00 0.00
436 ATOM 432 H3 MeO 144 15.390 4.580 2.820 1.00 0.00
437 ATOM 433 Me1 MeO 145 9.900 10.910 7.080 1.00 0.00
438 ATOM 434 O2 MeO 145 9.310 10.500 8.230 1.00 0.00
439 ATOM 435 H3 MeO 145 10.010 10.610 8.940 1.00 0.00
440 ATOM 436 Me1 MeO 146 3.460 14.390 4.780 1.00 0.00
441 ATOM 437 O2 MeO 146 4.190 15.540 4.750 1.00 0.00
442 ATOM 438 H3 MeO 146 4.540 15.660 3.820 1.00 0.00
443 ATOM 439 Me1 MeO 147 11.500 1.860 5.190 1.00 0.00
444 ATOM 440 O2 MeO 147 11.570 3.120 4.680 1.00 0.00
445 ATOM 441 H3 MeO 147 11.020 3.670 5.300 1.00 0.00
446 ATOM 442 Me1 MeO 148 6.650 17.090 2.520 1.00 0.00
447 ATOM 443 O2 MeO 148 5.350 17.050 2.910 1.00 0.00
448 ATOM 444 H3 MeO 148 4.970 17.980 2.850 1.00 0.00
449 ATOM 445 Me1 MeO 149 15.430 20.990 18.360 1.00 0.00
450 ATOM 446 O2 MeO 149 14.940 22.250 18.520 1.00 0.00
451 ATOM 447 H3 MeO 149 15.530 22.780 19.130 1.00 0.00
452 ATOM 448 Me1 MeO 150 11.840 20.870 19.400 1.00 0.00
453 ATOM 449 O2 MeO 150 12.360 22.130 19.350 1.00 0.00
454 ATOM 450 H3 MeO 150 13.260 22.010 18.930 1.00 0.00
455 ATOM 451 Me1 MeO 151 7.980 5.220 21.180 1.00 0.00
456 ATOM 452 O2 MeO 151 8.290 5.600 22.450 1.00 0.00
457 ATOM 453 H3 MeO 151 9.170 5.240 22.750 1.00 0.00
458 ATOM 454 Me1 MeO 152 6.910 15.360 21.400 1.00 0.00
459 ATOM 455 O2 MeO 152 7.160 15.750 22.680 1.00 0.00
460 ATOM 456 H3 MeO 152 8.110 15.520 22.890 1.00 0.00
461 ATOM 457 Me1 MeO 153 11.900 18.310 15.300 1.00 0.00
462 ATOM 458 O2 MeO 153 11.630 17.250 16.100 1.00 0.00
463 ATOM 459 H3 MeO 153 12.400 16.710 16.430 1.00 0.00
464 ATOM 460 Me1 MeO 154 13.100 7.960 13.570 1.00 0.00
465 ATOM 461 O2 MeO 154 12.690 8.020 14.870 1.00 0.00
466 ATOM 462 H3 MeO 154 11.890 7.440 14.950 1.00 0.00
467 ATOM 463 Me1 MeO 155 6.460 4.780 14.090 1.00 0.00
468 ATOM 464 O2 MeO 155 6.090 3.480 14.230 1.00 0.00
469 ATOM 465 H3 MeO 155 6.840 2.880 13.960 1.00 0.00
470 ATOM 466 Me1 MeO 156 7.440 14.990 10.090 1.00 0.00
471 ATOM 467 O2 MeO 156 7.220 16.000 9.200 1.00 0.00
472 ATOM 468 H3 MeO 156 6.390 15.770 8.700 1.00 0.00
473 ATOM 469 Me1 MeO 157 15.250 18.900 9.840 1.00 0.00
474 ATOM 470 O2 MeO 157 13.890 18.810 9.910 1.00 0.00
475 ATOM 471 H3 MeO 157 13.660 17.850 10.000 1.00 0.00
476 ATOM 472 Me1 MeO 158 0.830 2.590 16.930 1.00 0.00
477 ATOM 473 O2 MeO 158 1.160 3.620 16.100 1.00 0.00
478 ATOM 474 H3 MeO 158 2.160 3.550 16.100 1.00 0.00
479 ATOM 475 Me1 MeO 159 17.840 0.750 18.780 1.00 0.00
480 ATOM 476 O2 MeO 159 17.030 -0.130 19.430 1.00 0.00
481 ATOM 477 H3 MeO 159 17.360 -0.410 20.330 1.00 0.00
482 ATOM 478 Me1 MeO 160 11.700 4.610 22.560 1.00 0.00
483 ATOM 479 O2 MeO 160 10.430 4.320 22.950 1.00 0.00
484 ATOM 480 H3 MeO 160 10.420 3.750 23.770 1.00 0.00
485 ATOM 481 Me1 MeO 161 13.020 16.900 -0.330 1.00 0.00
486 ATOM 482 O2 MeO 161 12.830 15.610 0.050 1.00 0.00
487 ATOM 483 H3 MeO 161 13.500 15.340 0.750 1.00 0.00
488 ATOM 484 Me1 MeO 162 8.960 2.810 9.150 1.00 0.00
489 ATOM 485 O2 MeO 162 8.230 3.180 8.060 1.00 0.00
490 ATOM 486 H3 MeO 162 7.460 3.730 8.390 1.00 0.00
491 ATOM 487 Me1 MeO 163 18.360 18.040 17.560 1.00 0.00
492 ATOM 488 O2 MeO 163 18.690 16.820 18.060 1.00 0.00
493 ATOM 489 H3 MeO 163 19.680 16.920 18.180 1.00 0.00
494 ATOM 490 Me1 MeO 164 7.310 7.780 9.440 1.00 0.00
495 ATOM 491 O2 MeO 164 8.280 8.490 10.070 1.00 0.00
496 ATOM 492 H3 MeO 164 8.340 9.370 9.600 1.00 0.00
497 ATOM 493 Me1 MeO 165 5.080 16.850 18.400 1.00 0.00
498 ATOM 494 O2 MeO 165 4.390 16.930 17.240 1.00 0.00
499 ATOM 495 H3 MeO 165 4.980 17.100 16.450 1.00 0.00
500 ATOM 496 Me1 MeO 166 10.760 10.330 15.780 1.00 0.00
501 ATOM 497 O2 MeO 166 12.060 10.740 15.690 1.00 0.00
502 ATOM 498 H3 MeO 166 12.660 9.960 15.520 1.00 0.00
503 ATOM 499 Me1 MeO 167 12.500 11.070 24.280 1.00 0.00
504 ATOM 500 O2 MeO 167 12.500 10.180 23.240 1.00 0.00
505 ATOM 501 H3 MeO 167 11.540 10.070 22.970 1.00 0.00
506 ATOM 502 Me1 MeO 168 2.020 22.590 1.320 1.00 0.00
507 ATOM 503 O2 MeO 168 2.060 23.660 2.160 1.00 0.00
508 ATOM 504 H3 MeO 168 1.740 23.340 3.060 1.00 0.00
509 ATOM 505 Me1 MeO 169 2.000 14.240 1.160 1.00 0.00
510 ATOM 506 O2 MeO 169 1.870 13.230 2.060 1.00 0.00
511 ATOM 507 H3 MeO 169 1.140 13.610 2.630 1.00 0.00
512 ATOM 508 Me1 MeO 170 15.640 19.590 13.190 1.00 0.00
513 ATOM 509 O2 MeO 170 16.990 19.640 12.970 1.00 0.00
514 ATOM 510 H3 MeO 170 17.200 18.690 12.740 1.00 0.00
515 ATOM 511 Me1 MeO 171 20.640 10.520 12.820 1.00 0.00
516 ATOM 512 O2 MeO 171 19.790 9.750 13.550 1.00 0.00
517 ATOM 513 H3 MeO 171 20.340 9.460 14.330 1.00 0.00
518 ATOM 514 Me1 MeO 172 19.960 22.900 22.420 1.00 0.00
519 ATOM 515 O2 MeO 172 18.750 23.210 21.860 1.00 0.00
520 ATOM 516 H3 MeO 172 18.180 23.670 22.540 1.00 0.00
521 ATOM 517 Me1 MeO 173 15.190 24.140 3.360 1.00 0.00
522 ATOM 518 O2 MeO 173 14.330 23.090 3.410 1.00 0.00
523 ATOM 519 H3 MeO 173 14.300 22.450 2.640 1.00 0.00
524 ATOM 520 Me1 MeO 174 11.750 13.330 3.370 1.00 0.00
525 ATOM 521 O2 MeO 174 10.610 14.050 3.200 1.00 0.00
526 ATOM 522 H3 MeO 174 10.950 14.980 3.060 1.00 0.00
527 ATOM 523 Me1 MeO 175 12.630 8.590 4.060 1.00 0.00
528 ATOM 524 O2 MeO 175 13.890 8.760 4.530 1.00 0.00
529 ATOM 525 H3 MeO 175 14.550 8.960 3.800 1.00 0.00
530 ATOM 526 Me1 MeO 176 6.610 23.240 17.460 1.00 0.00
531 ATOM 527 O2 MeO 176 6.790 22.020 18.050 1.00 0.00
532 ATOM 528 H3 MeO 176 5.870 21.660 18.210 1.00 0.00
533 ATOM 529 Me1 MeO 177 15.550 7.060 16.780 1.00 0.00
534 ATOM 530 O2 MeO 177 14.260 7.450 16.980 1.00 0.00
535 ATOM 531 H3 MeO 177 13.780 7.310 16.110 1.00 0.00
536 ATOM 532 Me1 MeO 178 19.560 11.930 3.430 1.00 0.00
537 ATOM 533 O2 MeO 178 18.950 11.610 4.610 1.00 0.00
538 ATOM 534 H3 MeO 178 19.440 10.880 5.080 1.00 0.00
539 ATOM 535 Me1 MeO 179 14.490 2.940 7.190 1.00 0.00
540 ATOM 536 O2 MeO 179 15.500 3.230 8.060 1.00 0.00
541 ATOM 537 H3 MeO 179 15.070 3.790 8.770 1.00 0.00
542 ATOM 538 Me1 MeO 180 14.650 1.530 11.870 1.00 0.00
543 ATOM 539 O2 MeO 180 13.410 1.010 12.070 1.00 0.00
544 ATOM 540 H3 MeO 180 13.210 1.220 13.030 1.00 0.00
545 ATOM 541 Me1 MeO 181 16.680 14.850 5.940 1.00 0.00
546 ATOM 542 O2 MeO 181 16.190 13.990 6.870 1.00 0.00
547 ATOM 543 H3 MeO 181 15.390 13.500 6.510 1.00 0.00
548 ATOM 544 Me1 MeO 182 16.600 7.530 3.550 1.00 0.00
549 ATOM 545 O2 MeO 182 16.140 8.690 3.020 1.00 0.00
550 ATOM 546 H3 MeO 182 16.770 9.010 2.310 1.00 0.00
551 ATOM 547 Me1 MeO 183 17.500 9.690 -0.020 1.00 0.00
552 ATOM 548 O2 MeO 183 17.990 9.480 1.230 1.00 0.00
553 ATOM 549 H3 MeO 183 18.990 9.360 1.200 1.00 0.00
554 ATOM 550 Me1 MeO 184 11.150 16.220 19.730 1.00 0.00
555 ATOM 551 O2 MeO 184 11.280 17.560 19.960 1.00 0.00
556 ATOM 552 H3 MeO 184 10.330 17.850 19.900 1.00 0.00
557 ATOM 553 Me1 MeO 185 18.460 6.140 0.640 1.00 0.00
558 ATOM 554 O2 MeO 185 18.910 5.110 1.400 1.00 0.00
559 ATOM 555 H3 MeO 185 18.120 4.600 1.740 1.00 0.00
560 ATOM 556 Me1 MeO 186 15.240 10.100 19.960 1.00 0.00
561 ATOM 557 O2 MeO 186 15.480 8.780 20.200 1.00 0.00
562 ATOM 558 H3 MeO 186 14.830 8.470 20.890 1.00 0.00
563 ATOM 559 Me1 MeO 187 20.440 0.940 15.750 1.00 0.00
564 ATOM 560 O2 MeO 187 20.620 1.590 14.570 1.00 0.00
565 ATOM 561 H3 MeO 187 21.310 2.320 14.640 1.00 0.00
566 ATOM 562 Me1 MeO 188 23.160 21.750 4.270 1.00 0.00
567 ATOM 563 O2 MeO 188 23.750 22.960 4.060 1.00 0.00
568 ATOM 564 H3 MeO 188 23.020 23.630 3.940 1.00 0.00
569 ATOM 565 Me1 MeO 189 6.760 11.990 0.580 1.00 0.00
570 ATOM 566 O2 MeO 189 5.630 11.380 0.140 1.00 0.00
571 ATOM 567 H3 MeO 189 5.010 11.400 0.920 1.00 0.00
572 ATOM 568 Me1 MeO 190 3.790 13.880 10.140 1.00 0.00
573 ATOM 569 O2 MeO 190 2.920 14.220 11.130 1.00 0.00
574 ATOM 570 H3 MeO 190 3.430 14.430 11.960 1.00 0.00
575 ATOM 571 Me1 MeO 191 9.990 13.670 23.280 1.00 0.00
576 ATOM 572 O2 MeO 191 9.800 15.020 23.200 1.00 0.00
577 ATOM 573 H3 MeO 191 10.690 15.460 23.330 1.00 0.00
578 ATOM 574 Me1 MeO 192 12.900 4.610 15.920 1.00 0.00
579 ATOM 575 O2 MeO 192 12.660 3.310 16.250 1.00 0.00
580 ATOM 576 H3 MeO 192 11.770 3.350 16.710 1.00 0.00
581 ATOM 577 Me1 MeO 193 21.610 22.100 19.370 1.00 0.00
582 ATOM 578 O2 MeO 193 21.730 20.750 19.450 1.00 0.00
583 ATOM 579 H3 MeO 193 20.840 20.380 19.690 1.00 0.00
584 ATOM 580 Me1 MeO 194 16.990 7.050 8.640 1.00 0.00
585 ATOM 581 O2 MeO 194 17.910 7.000 9.640 1.00 0.00
586 ATOM 582 H3 MeO 194 18.290 7.920 9.660 1.00 0.00
587 ATOM 583 Me1 MeO 195 20.160 17.020 22.070 1.00 0.00
588 ATOM 584 O2 MeO 195 19.150 17.300 21.210 1.00 0.00
589 ATOM 585 H3 MeO 195 19.180 16.470 20.650 1.00 0.00
590 ATOM 586 Me1 MeO 196 12.230 0.830 8.890 1.00 0.00
591 ATOM 587 O2 MeO 196 11.720 0.940 10.150 1.00 0.00
592 ATOM 588 H3 MeO 196 12.460 0.700 10.780 1.00 0.00
593 ATOM 589 Me1 MeO 197 8.730 22.760 11.150 1.00 0.00
594 ATOM 590 O2 MeO 197 9.450 23.850 11.510 1.00 0.00
595 ATOM 591 H3 MeO 197 10.270 23.850 10.940 1.00 0.00
596 ATOM 592 Me1 MeO 198 16.500 3.950 20.420 1.00 0.00
597 ATOM 593 O2 MeO 198 17.500 3.780 21.320 1.00 0.00
598 ATOM 594 H3 MeO 198 18.340 3.780 20.790 1.00 0.00
599 ATOM 595 Me1 MeO 199 9.970 6.100 17.140 1.00 0.00
600 ATOM 596 O2 MeO 199 10.090 6.780 15.960 1.00 0.00
601 ATOM 597 H3 MeO 199 9.270 7.340 15.930 1.00 0.00
602 ATOM 598 Me1 MeO 200 1.590 10.610 16.780 1.00 0.00
603 ATOM 599 O2 MeO 200 2.350 10.530 15.660 1.00 0.00
604 ATOM 600 H3 MeO 200 2.090 11.160 14.930 1.00 0.00
605 ATOM 601 Me1 MeO 201 23.780 3.470 20.370 1.00 0.00
606 ATOM 602 O2 MeO 201 22.740 3.000 21.110 1.00 0.00
607 ATOM 603 H3 MeO 201 23.250 2.440 21.770 1.00 0.00
608 ATOM 604 Me1 MeO 202 18.200 2.400 12.390 1.00 0.00
609 ATOM 605 O2 MeO 202 18.320 2.310 13.740 1.00 0.00
610 ATOM 606 H3 MeO 202 19.120 1.740 13.940 1.00 0.00
611 ATOM 607 Me1 MeO 203 14.210 2.280 24.100 1.00 0.00
612 ATOM 608 O2 MeO 203 14.700 1.370 23.220 1.00 0.00
613 ATOM 609 H3 MeO 203 15.620 1.580 22.870 1.00 0.00
614 ATOM 610 Me1 MeO 204 3.180 15.970 14.080 1.00 0.00
615 ATOM 611 O2 MeO 204 3.570 14.740 13.660 1.00 0.00
616 ATOM 612 H3 MeO 204 4.420 14.410 14.060 1.00 0.00
617 ATOM 613 Me1 MeO 205 4.200 21.440 8.900 1.00 0.00
618 ATOM 614 O2 MeO 205 4.530 21.260 7.600 1.00 0.00
619 ATOM 615 H3 MeO 205 5.280 21.910 7.450 1.00 0.00
620 ATOM 616 Me1 MeO 206 0.050 17.490 2.850 1.00 0.00
621 ATOM 617 O2 MeO 206 0.580 18.720 2.590 1.00 0.00
622 ATOM 618 H3 MeO 206 0.000 19.120 1.880 1.00 0.00
623 ATOM 619 Me1 MeO 207 4.570 3.360 17.260 1.00 0.00
624 ATOM 620 O2 MeO 207 3.800 3.460 16.140 1.00 0.00
625 ATOM 621 H3 MeO 207 4.420 3.670 15.380 1.00 0.00
626 ATOM 622 Me1 MeO 208 18.690 2.660 8.370 1.00 0.00
627 ATOM 623 O2 MeO 208 17.970 2.200 7.320 1.00 0.00
628 ATOM 624 H3 MeO 208 16.990 2.380 7.450 1.00 0.00
629 ATOM 625 Me1 MeO 209 10.710 17.470 3.150 1.00 0.00
630 ATOM 626 O2 MeO 209 11.470 16.450 2.660 1.00 0.00
631 ATOM 627 H3 MeO 209 12.340 16.750 2.280 1.00 0.00
632 ATOM 628 Me1 MeO 210 8.240 2.050 22.920 1.00 0.00
633 ATOM 629 O2 MeO 210 7.560 1.780 21.780 1.00 0.00
634 ATOM 630 H3 MeO 210 7.990 0.930 21.450 1.00 0.00
635 ATOM 631 Me1 MeO 211 0.260 8.120 14.050 1.00 0.00
636 ATOM 632 O2 MeO 211 0.470 7.620 12.800 1.00 0.00
637 ATOM 633 H3 MeO 211 -0.320 7.890 12.250 1.00 0.00
638 ATOM 634 Me1 MeO 212 1.430 18.910 7.030 1.00 0.00
639 ATOM 635 O2 MeO 212 0.790 19.400 8.130 1.00 0.00
640 ATOM 636 H3 MeO 212 1.070 18.990 8.990 1.00 0.00
641 ATOM 637 Me1 MeO 213 16.550 9.340 12.770 1.00 0.00
642 ATOM 638 O2 MeO 213 17.460 8.730 13.580 1.00 0.00
643 ATOM 639 H3 MeO 213 18.270 9.300 13.610 1.00 0.00
644 ATOM 640 Me1 MeO 214 0.860 22.820 9.750 1.00 0.00
645 ATOM 641 O2 MeO 214 0.450 21.560 10.060 1.00 0.00
646 ATOM 642 H3 MeO 214 0.570 21.000 9.240 1.00 0.00
647 ATOM 643 Me1 MeO 215 16.880 16.200 12.960 1.00 0.00
648 ATOM 644 O2 MeO 215 17.780 17.140 12.560 1.00 0.00
649 ATOM 645 H3 MeO 215 18.060 16.950 11.610 1.00 0.00
650 ATOM 646 Me1 MeO 216 17.380 10.250 16.520 1.00 0.00
651 ATOM 647 O2 MeO 216 18.580 9.760 16.940 1.00 0.00
652 ATOM 648 H3 MeO 216 18.360 9.290 17.790 1.00 0.00
653 TER
654 ENDMDL