0 mol 17 unq 0 iso 0 dist 8.2298 9.71915 7.02884 12.7278 7.57677 5.16502 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.2298 9.71915 7.02884 12.6012 4.43871 8.26398 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.98958 10.7527 9.53735 12.303 12.9455 9.82851 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.17671 12.6352 6.87901 14.5025 5.99213 5.51053 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 9.54996 11.0305 9.45931 15.7645 8.07317 8.40695 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 9.54996 11.0305 9.45931 13.7602 5.69432 9.35867 numMergedOcc 0
6 mol 141 unq 2 iso 0 dist 9.54996 4.96213 6.35397 13.7602 5.69432 9.38036 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 9.66949 5.37594 9.58371 14.3603 13.3796 9.45696 numMergedOcc 0
8 mol 188 unq 0 iso 0 dist 9.63715 5.54913 6.1338 10.9885 5.20357 8.4784 numMergedOcc 0
9 mol 188 unq 1 iso 0 dist 8.5397 4.75808 6.1338 11.5231 5.20357 8.4784 numMergedOcc 0
10 mol 188 unq 2 iso 0 dist 6.43097 5.58576 7.47937 9.81333 7.90572 8.34477 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 8.24466 9.71153 6.67699 15.0397 10.7769 6.14222 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.6897 8.78075 9.47112 12.9931 8.98996 6.81516 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 9.6897 8.78075 9.47112 16.5352 17.5993 9.17562 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.61758 11.1989 8.07237 15.8811 9.12568 9.06389 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 8.06649 14.3949 9.5174 17.1995 9.31162 9.25035 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 5.85222 11.6772 8.70383 19.4439 16.0043 9.82605 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 5.85222 11.6772 8.70383 20.4813 16.1168 9.73723 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 9.03526 11.8916 9.58671 13.2407 5.85558 8.1769 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 9.03526 11.8916 9.58671 11.9336 4.62289 7.1656 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 6.2587 7.53523 9.52718 10.7004 6.1158 9.25759 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 6.2587 7.53523 9.52718 10.7004 6.1158 9.25759 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 6.2587 7.53523 9.52718 10.7004 6.1158 9.25759 numMergedOcc 0
