0 mol 26 unq 0 iso 0 dist 7.7868 4.03003 7.3022 10.4427 11.0099 6.46104 9.94775 4.74747 7.36856 7.96502 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 7.7868 4.03003 7.3022 9.94775 4.74747 7.36856 10.4427 11.0099 6.46104 7.96502 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.84323 7.46975 6.04903 14.3699 11.7069 7.56205 8.1599 5.49555 4.74544 8.62608 numMergedOcc 0
3 mol 62 unq 0 iso 1 dist 8.84323 7.46975 6.04903 8.1599 5.49555 4.74544 14.3699 11.7069 7.56205 8.62608 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 6.01132 11.7935 6.90634 10.5028 6.01663 9.72053 17.7754 12.8559 7.7949 15.1532 numMergedOcc 0
5 mol 130 unq 0 iso 1 dist 6.01132 11.7935 6.90634 17.7754 12.8559 7.7949 10.5028 6.01663 9.72053 15.1532 numMergedOcc 0
6 mol 146 unq 0 iso 0 dist 9.77771 11.2713 9.44952 19.8643 14.7359 8.84535 14.7989 7.00857 8.82188 9.83507 numMergedOcc 0
7 mol 146 unq 0 iso 1 dist 9.77771 11.2713 9.44952 14.7989 7.00857 8.82188 19.8643 14.7359 8.84535 9.83507 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 7.62575 5.45915 7.55196 10.449 8.78665 8.69157 4.44292 5.40375 6.53347 7.01918 numMergedOcc 0
9 mol 155 unq 0 iso 1 dist 7.62575 5.45915 7.55196 4.44292 5.40375 6.53347 10.449 8.78665 8.69157 7.01918 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.45395 12.0718 9.06217 9.86845 6.25083 6.2479 9.58911 10.5753 6.22122 6.01247 numMergedOcc 0
11 mol 181 unq 0 iso 1 dist 8.45395 12.0718 9.06217 9.58911 10.5753 6.22122 9.86845 6.25083 6.2479 6.01247 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.45395 12.0718 9.06217 9.86845 6.25083 6.2479 13.0329 5.86342 7.99195 8.88798 numMergedOcc 0
13 mol 181 unq 1 iso 1 dist 8.45395 12.0718 9.06217 13.0329 5.86342 7.99195 9.86845 6.25083 6.2479 8.88798 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.45395 12.0718 9.06217 9.58911 10.5753 6.22122 13.0329 5.86342 7.99195 12.6324 numMergedOcc 0
15 mol 181 unq 1 iso 1 dist 8.45395 12.0718 9.06217 13.0329 5.86342 7.99195 9.58911 10.5753 6.22122 12.6324 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.15368 13.7282 9.06217 12.5284 6.25083 6.2479 12.7453 10.5753 6.22122 6.01247 numMergedOcc 0
17 mol 181 unq 2 iso 1 dist 9.15368 13.7282 9.06217 12.7453 10.5753 6.22122 12.5284 6.25083 6.2479 6.01247 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 9.15368 13.7282 9.06217 12.5284 6.25083 6.2479 12.9014 5.86342 7.99195 8.88798 numMergedOcc 0
19 mol 181 unq 3 iso 1 dist 9.15368 13.7282 9.06217 12.9014 5.86342 7.99195 12.5284 6.25083 6.2479 8.88798 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 9.15368 13.7282 9.06217 12.7453 10.5753 6.22122 12.9014 5.86342 7.99195 12.6324 numMergedOcc 0
21 mol 181 unq 3 iso 1 dist 9.15368 13.7282 9.06217 12.9014 5.86342 7.99195 12.7453 10.5753 6.22122 12.6324 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 9.20477 10.6331 9.06217 12.0593 6.25083 6.2479 11.622 10.5753 6.22122 6.01247 numMergedOcc 0
23 mol 181 unq 4 iso 1 dist 9.20477 10.6331 9.06217 11.622 10.5753 6.22122 12.0593 6.25083 6.2479 6.01247 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 9.20477 10.6331 9.06217 12.0593 6.25083 6.2479 10.3248 5.86342 7.99195 8.88798 numMergedOcc 0
25 mol 181 unq 5 iso 1 dist 9.20477 10.6331 9.06217 10.3248 5.86342 7.99195 12.0593 6.25083 6.2479 8.88798 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 9.20477 10.6331 9.06217 11.622 10.5753 6.22122 10.3248 5.86342 7.99195 12.6324 numMergedOcc 0
27 mol 181 unq 5 iso 1 dist 9.20477 10.6331 9.06217 10.3248 5.86342 7.99195 11.622 10.5753 6.22122 12.6324 numMergedOcc 0
28 mol 181 unq 6 iso 0 dist 5.41368 12.0718 7.13252 9.86845 4.77278 6.2479 9.58911 5.88819 6.22122 6.01247 numMergedOcc 0
29 mol 181 unq 6 iso 1 dist 5.41368 12.0718 7.13252 9.58911 5.88819 6.22122 9.86845 4.77278 6.2479 6.01247 numMergedOcc 0
30 mol 181 unq 7 iso 0 dist 5.41368 12.0718 7.13252 9.86845 4.77278 6.2479 13.0329 9.14057 7.99195 8.88798 numMergedOcc 0
31 mol 181 unq 7 iso 1 dist 5.41368 12.0718 7.13252 13.0329 9.14057 7.99195 9.86845 4.77278 6.2479 8.88798 numMergedOcc 0
32 mol 181 unq 7 iso 0 dist 5.41368 12.0718 7.13252 9.58911 5.88819 6.22122 13.0329 9.14057 7.99195 12.6324 numMergedOcc 0
33 mol 181 unq 7 iso 1 dist 5.41368 12.0718 7.13252 13.0329 9.14057 7.99195 9.58911 5.88819 6.22122 12.6324 numMergedOcc 0
34 mol 181 unq 8 iso 0 dist 7.96182 13.7282 7.13252 12.5284 4.77278 6.2479 12.7453 5.88819 6.22122 6.01247 numMergedOcc 0
35 mol 181 unq 8 iso 1 dist 7.96182 13.7282 7.13252 12.7453 5.88819 6.22122 12.5284 4.77278 6.2479 6.01247 numMergedOcc 0
36 mol 181 unq 9 iso 0 dist 7.96182 13.7282 7.13252 12.5284 4.77278 6.2479 12.9014 9.14057 7.99195 8.88798 numMergedOcc 0
37 mol 181 unq 9 iso 1 dist 7.96182 13.7282 7.13252 12.9014 9.14057 7.99195 12.5284 4.77278 6.2479 8.88798 numMergedOcc 0
38 mol 181 unq 9 iso 0 dist 7.96182 13.7282 7.13252 12.7453 5.88819 6.22122 12.9014 9.14057 7.99195 12.6324 numMergedOcc 0
39 mol 181 unq 9 iso 1 dist 7.96182 13.7282 7.13252 12.9014 9.14057 7.99195 12.7453 5.88819 6.22122 12.6324 numMergedOcc 0
40 mol 181 unq 10 iso 0 dist 7.90237 10.6331 7.13252 12.0593 4.77278 6.2479 11.622 5.88819 6.22122 6.01247 numMergedOcc 0
41 mol 181 unq 10 iso 1 dist 7.90237 10.6331 7.13252 11.622 5.88819 6.22122 12.0593 4.77278 6.2479 6.01247 numMergedOcc 0
42 mol 181 unq 11 iso 0 dist 7.90237 10.6331 7.13252 12.0593 4.77278 6.2479 10.3248 9.14057 7.99195 8.88798 numMergedOcc 0
43 mol 181 unq 11 iso 1 dist 7.90237 10.6331 7.13252 10.3248 9.14057 7.99195 12.0593 4.77278 6.2479 8.88798 numMergedOcc 0
44 mol 181 unq 11 iso 0 dist 7.90237 10.6331 7.13252 11.622 5.88819 6.22122 10.3248 9.14057 7.99195 12.6324 numMergedOcc 0
45 mol 181 unq 11 iso 1 dist 7.90237 10.6331 7.13252 10.3248 9.14057 7.99195 11.622 5.88819 6.22122 12.6324 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.08641 5.18732 9.84492 11.5247 10.5203 7.76163 9.44405 11.7299 8.73217 14.5862 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 9.08641 5.18732 9.84492 9.44405 11.7299 8.73217 11.5247 10.5203 7.76163 14.5862 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 9.61294 6.36084 7.17337 7.70279 8.78722 8.50102 9.29752 13.5597 9.40808 6.56633 numMergedOcc 0
49 mol 232 unq 0 iso 1 dist 9.61294 6.36084 7.17337 9.29752 13.5597 9.40808 7.70279 8.78722 8.50102 6.56633 numMergedOcc 0
50 mol 235 unq 0 iso 0 dist 8.19915 3.93066 7.95766 9.11256 4.65302 9.55668 9.80261 6.43692 6.95126 9.89669 numMergedOcc 0
51 mol 235 unq 0 iso 1 dist 8.19915 3.93066 7.95766 9.80261 6.43692 6.95126 9.11256 4.65302 9.55668 9.89669 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 7.96197 5.18265 6.87131 10.9696 13.0842 7.57812 13.4956 8.85181 9.24557 10.0191 numMergedOcc 0
53 mol 238 unq 0 iso 1 dist 7.96197 5.18265 6.87131 13.4956 8.85181 9.24557 10.9696 13.0842 7.57812 10.0191 numMergedOcc 0
54 mol 238 unq 1 iso 0 dist 6.24435 5.18265 8.09718 10.9696 13.171 7.57812 13.4956 11.9142 9.24557 10.0191 numMergedOcc 0
55 mol 238 unq 1 iso 1 dist 6.24435 5.18265 8.09718 13.4956 11.9142 9.24557 10.9696 13.171 7.57812 10.0191 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 7.77265 3.87679 7.12785 6.86162 5.70464 7.49645 10.0226 10.3961 9.9222 5.37618 numMergedOcc 0
57 mol 243 unq 0 iso 1 dist 7.77265 3.87679 7.12785 10.0226 10.3961 9.9222 6.86162 5.70464 7.49645 5.37618 numMergedOcc 0
58 mol 243 unq 1 iso 0 dist 9.65322 3.87679 6.66959 6.86162 7.83758 7.49645 10.0226 7.8399 9.9222 5.37618 numMergedOcc 0
59 mol 243 unq 1 iso 1 dist 9.65322 3.87679 6.66959 10.0226 7.8399 9.9222 6.86162 7.83758 7.49645 5.37618 numMergedOcc 0
60 mol 243 unq 2 iso 0 dist 6.9453 5.40441 6.66959 11.9954 7.83758 7.49645 13.073 7.8399 9.9222 5.37618 numMergedOcc 0
61 mol 243 unq 2 iso 1 dist 6.9453 5.40441 6.66959 13.073 7.8399 9.9222 11.9954 7.83758 7.49645 5.37618 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 9.53092 11.7116 8.71497 12.348 11.6195 7.98231 11.6963 5.79468 7.08526 6.96053 numMergedOcc 0
63 mol 259 unq 0 iso 1 dist 9.53092 11.7116 8.71497 11.6963 5.79468 7.08526 12.348 11.6195 7.98231 6.96053 numMergedOcc 0
