0 mol 54 unq 0 iso 0 dist 7.51978 13.323 6.59893 13.9555 7.21717 8.02105 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 10.6593 5.59773 13.9555 7.21717 7.93241 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 5.89394 5.73112 4.98104 10.9738 6.95572 9.52463 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 5.89394 5.73112 4.98104 10.3703 7.38677 6.07224 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.87387 5.6579 8.42445 10.6075 6.84011 12.5697 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.59784 6.69727 9.42766 8.66162 6.52773 13.1831 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.59784 6.69727 9.42766 6.71925 9.23858 6.34278 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 5.09114 12.2043 8.33083 10.5529 9.23819 7.09391 numMergedOcc 0
8 mol 122 unq 1 iso 0 dist 5.09114 12.2043 8.33083 9.32745 8.88537 10.4589 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 8.38646 9.972 8.84867 6.24872 7.73435 11.7281 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 8.38646 9.972 8.84867 10.4668 9.3778 14.8614 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 7.39961 3.84324 8.81169 5.95655 6.30021 4.1075 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 4.96326 12.8098 9.03194 5.19351 7.33273 11.2154 numMergedOcc 0
13 mol 176 unq 1 iso 0 dist 9.09976 6.31058 9.03194 7.10221 7.33273 11.2154 numMergedOcc 0
14 mol 176 unq 2 iso 0 dist 9.73567 9.26882 9.03194 10.2245 7.33273 11.2154 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 6.07676 5.90964 7.44191 6.28923 6.46704 6.70394 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 6.07676 5.90964 7.44191 6.10683 6.59025 11.2787 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 6.07676 6.18164 6.00053 6.28923 6.46704 10.8517 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 6.07676 6.18164 6.00053 6.10683 6.59025 5.87168 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 5.80867 10.1488 6.47339 6.42799 6.34616 5.47473 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 9.4363 12.8945 6.47339 10.4394 6.34616 5.47473 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 6.82881 10.3239 4.58599 5.50169 8.14332 11.5146 numMergedOcc 0
22 mol 213 unq 1 iso 0 dist 6.82881 11.0972 8.78568 5.50169 8.14332 10.693 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.93637 15.653 9.8711 12.5597 6.59716 4.39102 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.13194 8.83643 9.31417 10.0472 9.24557 16.7165 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.13194 4.55701 5.56719 10.0472 9.24557 11.9863 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 7.80166 11.1397 9.31417 13.6806 9.24557 16.7165 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 7.80166 8.53461 5.56719 13.6806 9.24557 11.9863 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 6.42827 6.06312 7.29898 5.74889 5.48118 10.4369 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 6.42827 10.3054 8.91685 5.74889 5.48118 13.4788 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.47382 12.8835 7.93997 10.451 7.08526 10.9643 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 5.81421 6.38433 8.1498 9.59458 6.71375 7.43256 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 9.27402 17.2173 8.27793 15.7062 9.33437 6.96183 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 7.28096 5.75946 9.6331 12.4113 6.89451 12.4627 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 7.28096 5.75946 9.6331 12.4113 6.89451 12.4627 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.28096 5.75946 9.6331 12.4113 6.89451 12.4627 numMergedOcc 0
