0 mol 20 unq 0 iso 0 dist 5.90657 10.7461 9.6259 12.2114 9.55686 14.7264 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.33661 3.71431 5.51954 13.0844 9.77068 10.7138 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 5.51116 3.88644 5.51954 6.90921 9.77068 10.7138 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 7.13411 9.45958 6.41507 5.6697 8.46167 13.3691 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 7.13411 9.45958 6.41507 7.98338 6.13175 12.277 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 7.13411 9.45958 6.41507 7.63386 4.34107 9.60282 numMergedOcc 0
6 mol 113 unq 3 iso 0 dist 7.13411 4.68267 6.03035 5.6697 8.46167 9.59189 numMergedOcc 0
7 mol 113 unq 4 iso 0 dist 7.13411 4.68267 6.03035 7.98338 6.13175 10.1118 numMergedOcc 0
8 mol 113 unq 5 iso 0 dist 7.13411 4.68267 6.03035 7.63386 4.34107 8.19901 numMergedOcc 0
9 mol 113 unq 6 iso 0 dist 8.43211 5.24913 6.41507 16.2708 8.46167 13.3691 numMergedOcc 0
10 mol 113 unq 7 iso 0 dist 8.43211 5.24913 6.41507 13.4294 6.13175 12.277 numMergedOcc 0
11 mol 113 unq 8 iso 0 dist 8.43211 5.24913 6.41507 9.93799 4.34107 9.60282 numMergedOcc 0
12 mol 113 unq 9 iso 0 dist 8.43211 8.94893 6.03035 16.2708 8.46167 9.59189 numMergedOcc 0
13 mol 113 unq 10 iso 0 dist 8.43211 8.94893 6.03035 13.4294 6.13175 10.1118 numMergedOcc 0
14 mol 113 unq 11 iso 0 dist 8.43211 8.94893 6.03035 9.93799 4.34107 8.19901 numMergedOcc 0
15 mol 113 unq 12 iso 0 dist 6.24988 7.73043 6.41507 14.3436 8.46167 13.3691 numMergedOcc 0
16 mol 113 unq 13 iso 0 dist 6.24988 7.73043 6.41507 10.2397 6.13175 12.277 numMergedOcc 0
17 mol 113 unq 14 iso 0 dist 6.24988 7.73043 6.41507 7.38363 4.34107 9.60282 numMergedOcc 0
18 mol 113 unq 15 iso 0 dist 6.24988 10.4377 6.03035 14.3436 8.46167 9.59189 numMergedOcc 0
19 mol 113 unq 16 iso 0 dist 6.24988 10.4377 6.03035 10.2397 6.13175 10.1118 numMergedOcc 0
20 mol 113 unq 17 iso 0 dist 6.24988 10.4377 6.03035 7.38363 4.34107 8.19901 numMergedOcc 0
21 mol 154 unq 0 iso 0 dist 9.08337 9.81608 9.11555 10.2836 9.82522 10.8387 numMergedOcc 0
22 mol 154 unq 1 iso 0 dist 9.08337 9.81608 9.11555 3.68309 8.50773 6.76318 numMergedOcc 0
23 mol 154 unq 2 iso 0 dist 9.08337 10.6362 8.88053 10.2836 9.82522 6.13421 numMergedOcc 0
24 mol 154 unq 3 iso 0 dist 9.08337 10.6362 8.88053 3.68309 8.50773 7.24062 numMergedOcc 0
25 mol 154 unq 4 iso 0 dist 9.10298 9.52527 9.11555 17.1853 9.82522 10.8387 numMergedOcc 0
26 mol 154 unq 5 iso 0 dist 9.10298 9.52527 9.11555 11.6599 8.50773 6.76318 numMergedOcc 0
27 mol 154 unq 6 iso 0 dist 9.10298 13.6486 8.88053 17.1853 9.82522 6.13421 numMergedOcc 0
28 mol 154 unq 7 iso 0 dist 9.10298 13.6486 8.88053 11.6599 8.50773 7.24062 numMergedOcc 0
29 mol 170 unq 0 iso 0 dist 8.77595 4.76133 6.2845 5.61351 5.14196 3.58196 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.47254 10.7402 5.087 6.42907 7.8605 11.9635 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 7.43571 7.37755 5.087 10.5527 7.8605 11.9635 numMergedOcc 0
32 mol 286 unq 0 iso 0 dist 8.72342 3.20495 9.2551 3.8649 6.87255 5.83399 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 8.87784 10.2818 9.62446 9.18909 8.70479 11.4704 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.87784 10.4107 9.99681 9.18909 8.70479 16.9251 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 8.87784 10.2818 9.62446 9.18909 8.70479 11.4704 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 8.87784 10.4107 9.99681 9.18909 8.70479 16.9251 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 8.87784 10.2818 9.62446 9.18909 8.70479 11.4704 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 8.87784 10.4107 9.99681 9.18909 8.70479 16.9251 numMergedOcc 0
