0 mol 53 unq 0 iso 0 dist 9.82468 6.81867 6.58374 7.03969 11.4001 5.80365 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 8.14002 8.70783 4.91428 9.42411 11.4608 13.2346 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 8.14002 9.20162 5.93959 9.42411 11.4608 12.8148 numMergedOcc 0
3 mol 96 unq 0 iso 0 dist 8.09839 9.46918 12.8517 7.40983 6.61175 6.53944 numMergedOcc 0
4 mol 96 unq 1 iso 0 dist 8.09839 7.64681 5.03448 7.40983 6.61175 7.86339 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 8.40076 5.98534 6.03683 7.04627 10.1291 4.10526 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 7.68585 9.06613 12.3503 9.93616 4.8885 14.3062 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 5.45739 8.80059 12.3252 8.47439 10.7396 3.73181 numMergedOcc 0
8 mol 168 unq 1 iso 0 dist 6.75751 8.80059 7.48749 8.47439 9.33959 3.73181 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 6.22076 8.53734 5.93508 6.80203 4.73385 8.77204 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 8.30602 6.08141 5.93508 8.00826 4.73385 8.77204 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 6.93583 6.27438 4.10349 9.02494 10.2872 12.192 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 6.93583 6.27438 4.10349 8.83641 10.8379 11.8222 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 9.11905 7.23618 15.8068 7.13397 15.3292 4.07425 numMergedOcc 0
14 mol 260 unq 1 iso 0 dist 9.11905 7.23618 15.8068 5.33278 8.1257 9.36278 numMergedOcc 0
15 mol 260 unq 2 iso 0 dist 7.56352 7.23618 9.10812 7.13397 11.5791 4.07425 numMergedOcc 0
16 mol 260 unq 3 iso 0 dist 7.56352 7.23618 9.10812 5.33278 8.99868 9.36278 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 6.63595 9.88921 5.22125 7.08918 6.21674 6.85669 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 6.36106 9.95662 8.51351 5.06373 3.39008 9.94624 numMergedOcc 0
