0 mol 17 unq 0 iso 0 dist 7.52595 6.25587 6.31299 9.00893 9.73143 3.62282 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 4.31912 7.98414 7.14527 8.35776 4.84198 10.8132 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.91572 7.88689 7.12967 8.1717 5.27573 4.32751 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 9.52322 8.70783 12.9324 9.42411 9.39437 13.2346 numMergedOcc 0
4 mol 65 unq 1 iso 0 dist 9.52322 9.20162 5.18236 9.42411 9.39437 12.8148 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.00373 9.66226 10.2677 5.61418 12.2295 13.4478 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.77845 5.7085 10.6347 6.38269 5.09579 6.29259 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 7.77845 5.7085 10.6347 7.11196 5.46299 7.08122 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.85629 9.29305 9.78929 8.02114 6.02863 4.26413 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 7.62634 7.27978 10.7231 9.3032 13.3106 3.7326 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 9.16822 8.65088 7.13782 7.22151 8.74865 3.87855 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 8.23463 6.27438 5.25065 9.02494 10.2743 12.192 numMergedOcc 0
12 mol 225 unq 2 iso 0 dist 8.23463 6.27438 5.25065 8.83641 15.7461 11.8222 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 8.76664 7.23618 13.5966 7.13397 14.7338 4.07425 numMergedOcc 0
14 mol 260 unq 1 iso 0 dist 8.76664 7.23618 13.5966 5.33278 8.77583 9.36278 numMergedOcc 0
15 mol 260 unq 2 iso 0 dist 9.00987 7.23618 8.60199 7.13397 11.4575 4.07425 numMergedOcc 0
16 mol 260 unq 3 iso 0 dist 9.00987 7.23618 8.60199 5.33278 13.8433 9.36278 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.93824 6.99089 12.7844 7.51951 11.6746 4.72338 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 6.1432 6.99089 9.15303 7.51951 11.7541 4.72338 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 6.76991 9.88921 10.2448 7.08918 5.27373 6.85669 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 9.41532 8.2053 4.95526 7.58381 7.5102 6.1459 numMergedOcc 0
