0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 15.262 11.8172 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.60206 5.99972 7.81271 5.13353 9.68006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.81271 4.60206 9.68006 5.51421 5.13353 5.99972 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.46102 10.4489 8.53529 16.9088 12.4076 7.03958 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.46102 10.4489 8.53529 9.91301 8.4069 7.18019 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.46102 10.4489 8.53529 15.6504 12.9016 8.44009 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 9.91301 10.4489 7.18019 16.9088 10.9495 7.03958 numMergedOcc 0
7 mol 8 unq 4 iso 0 dist 9.91301 10.4489 7.18019 7.46102 8.4069 8.53529 numMergedOcc 0
8 mol 8 unq 5 iso 0 dist 9.91301 10.4489 7.18019 15.6504 6.23795 8.44009 numMergedOcc 0
9 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 13.5235 6.14147 6.55811 numMergedOcc 0
10 mol 9 unq 1 iso 0 dist 8.46229 9.93406 7.32257 17.0546 10.5747 8.64915 numMergedOcc 0
11 mol 16 unq 0 iso 0 dist 6.36377 5.96976 6.93532 12.1997 10.4852 6.72833 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 18.501 15.5315 7.29868 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 12.511 14.6259 8.60554 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.54519 6.81998 8.75662 12.511 14.6259 9.44691 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 14.2881 14.6259 8.4051 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 6.11056 11.095 8.60554 14.4535 10.0952 7.29868 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 6.11056 6.66757 9.44691 14.2881 14.6259 8.75662 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 8.6396 10.9391 7.45383 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 8.40051 15.9662 7.92503 17.3995 10.6808 8.6653 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 8.6396 4.32173 7.45383 8.40051 10.9391 6.16347 numMergedOcc 0
21 mol 25 unq 3 iso 0 dist 8.88413 10.7087 7.55264 16.9711 16.1048 8.87757 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 8.88413 10.7087 7.55264 10.5993 4.33106 8.50222 numMergedOcc 0
23 mol 30 unq 0 iso 0 dist 8.609 5.73417 8.1284 9.44073 5.34368 7.12365 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 6.36193 4.37642 5.93884 9.01612 5.30792 9.92355 numMergedOcc 0
25 mol 58 unq 1 iso 0 dist 6.36193 4.37642 5.93884 4.88613 4.81926 7.68678 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 4.88613 4.37642 7.68678 9.01612 5.35073 9.92355 numMergedOcc 0
27 mol 58 unq 3 iso 0 dist 4.88613 4.37642 7.68678 6.36193 4.81926 5.93884 numMergedOcc 0
28 mol 62 unq 0 iso 0 dist 8.1599 7.46975 4.74544 14.3699 8.62608 7.56205 numMergedOcc 0
29 mol 65 unq 0 iso 0 dist 8.76461 6.59475 6.72639 11.2698 5.48814 6.76508 numMergedOcc 0
30 mol 65 unq 1 iso 0 dist 8.76461 11.8419 9.34791 18.0462 14.4691 7.90294 numMergedOcc 0
31 mol 65 unq 2 iso 0 dist 8.76461 11.8419 9.34791 11.2698 5.48814 8.22785 numMergedOcc 0
32 mol 85 unq 0 iso 0 dist 6.58793 3.88757 7.54568 11.7434 10.1164 9.39864 numMergedOcc 0
33 mol 92 unq 0 iso 0 dist 8.4545 12.49 8.18107 7.01176 5.04493 9.8859 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 8.4545 4.1125 5.9465 7.01176 5.04493 6.97962 numMergedOcc 0
35 mol 92 unq 2 iso 0 dist 8.4545 4.1125 5.9465 11.7125 9.35561 9.95342 numMergedOcc 0
36 mol 92 unq 3 iso 0 dist 7.01176 12.49 9.8859 8.4545 5.04493 8.18107 numMergedOcc 0
37 mol 92 unq 4 iso 0 dist 7.01176 4.1125 6.97962 8.4545 5.04493 5.9465 numMergedOcc 0
38 mol 92 unq 5 iso 0 dist 7.01176 4.1125 6.97962 11.7125 12.7769 9.95342 numMergedOcc 0
39 mol 101 unq 0 iso 0 dist 5.22543 5.08458 6.98314 9.96707 6.69637 7.61685 numMergedOcc 0
40 mol 119 unq 0 iso 0 dist 8.44385 4.01593 9.11344 5.63005 4.85907 6.52773 numMergedOcc 0
41 mol 119 unq 1 iso 0 dist 5.63005 4.01593 6.52773 8.44385 4.85907 9.11344 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 9.3894 11.5759 6.66772 10.2159 6.69554 9.97654 numMergedOcc 0
43 mol 133 unq 1 iso 0 dist 9.3894 11.5759 6.66772 14.8299 7.6656 7.71248 numMergedOcc 0
44 mol 155 unq 0 iso 0 dist 4.44292 5.45915 6.53347 10.449 7.01918 8.69157 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 9.86845 6.01247 6.2479 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 9.58911 12.0718 6.22122 13.0329 12.6324 7.99195 numMergedOcc 0
47 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 14.0513 10.7531 9.26504 numMergedOcc 0
48 mol 196 unq 0 iso 0 dist 8.79558 11.4857 6.86319 17.0839 10.2747 6.70531 numMergedOcc 0
49 mol 206 unq 0 iso 0 dist 9.36079 10.9922 6.16414 14.4684 5.63422 7.75885 numMergedOcc 0
50 mol 206 unq 1 iso 0 dist 7.42904 8.16827 6.16414 12.7047 5.63422 7.75885 numMergedOcc 0
51 mol 227 unq 0 iso 0 dist 9.07872 4.21811 6.02296 11.3366 4.39704 7.43071 numMergedOcc 0
52 mol 231 unq 0 iso 0 dist 8.01942 3.83595 6.54852 9.97221 4.06055 6.98875 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 9.29752 6.56633 9.40808 numMergedOcc 0
54 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 7.70279 6.56633 8.50102 numMergedOcc 0
55 mol 235 unq 0 iso 0 dist 9.11256 3.93066 9.55668 9.80261 9.89669 6.95126 numMergedOcc 0
56 mol 235 unq 1 iso 0 dist 7.08539 13.0408 9.55668 13.3861 9.89669 6.95126 numMergedOcc 0
57 mol 237 unq 0 iso 0 dist 8.56463 5.32535 6.99315 14.3699 14.5975 9.60163 numMergedOcc 0
58 mol 237 unq 1 iso 0 dist 9.42743 11.5107 6.99315 14.0442 14.5975 9.60163 numMergedOcc 0
59 mol 238 unq 0 iso 0 dist 9.32451 16.2294 8.94014 11.5933 5.6348 7.02333 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 9.32451 16.2294 8.94014 10.7555 8.87326 8.67864 numMergedOcc 0
61 mol 243 unq 0 iso 0 dist 6.86162 3.87679 7.49645 10.0226 5.37618 9.9222 numMergedOcc 0
62 mol 249 unq 0 iso 0 dist 6.37672 4.20164 5.48118 9.83485 5.3927 7.25858 numMergedOcc 0
63 mol 249 unq 1 iso 0 dist 8.94023 5.93404 5.48118 12.7659 5.3927 7.25858 numMergedOcc 0
64 mol 258 unq 0 iso 0 dist 9.59174 5.32742 9.63959 14.8786 12.4198 9.96262 numMergedOcc 0
65 mol 258 unq 1 iso 0 dist 9.59174 5.32742 9.63959 9.98141 12.321 7.21311 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 8.06771 5.61261 7.98231 11.1503 6.96053 7.08526 numMergedOcc 0
67 mol 259 unq 1 iso 0 dist 9.54857 8.74892 7.08526 14.0139 6.96053 7.98231 numMergedOcc 0
68 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 10.0379 10.501 7.46394 numMergedOcc 0
69 mol 274 unq 1 iso 0 dist 6.55855 6.70266 9.45514 12.5213 11.7196 8.91672 numMergedOcc 0
70 mol 274 unq 2 iso 0 dist 6.55855 6.70266 9.45514 9.52894 6.828 7.1729 numMergedOcc 0
71 mol 274 unq 3 iso 0 dist 6.55855 5.15747 6.39866 12.6706 11.3308 8.52587 numMergedOcc 0
72 mol 274 unq 4 iso 0 dist 9.52894 6.70266 7.1729 10.0379 6.15918 7.46394 numMergedOcc 0
73 mol 274 unq 5 iso 0 dist 9.52894 6.70266 7.1729 6.55855 6.828 9.45514 numMergedOcc 0
74 mol 274 unq 6 iso 0 dist 9.52894 6.70266 7.1729 12.5213 10.0083 8.91672 numMergedOcc 0
75 mol 274 unq 7 iso 0 dist 9.71801 4.36131 8.52587 9.7198 11.3308 6.39866 numMergedOcc 0
