0 mol 29 unq 0 iso 0 dist 8.26334 9.34187 7.08841 5.3571 5.09702 4.60536 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.68854 4.78536 7.08841 5.45544 5.09702 4.60536 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 8.79235 7.13443 7.11695 5.38541 5.40489 4.06789 numMergedOcc 0
3 mol 53 unq 1 iso 0 dist 8.79235 4.94089 7.58093 5.38541 5.40489 6.57749 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.80026 14.6616 8.35444 9.85425 8.66724 8.12865 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.12959 12.0704 9.4866 10.3042 9.59729 4.00608 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.12959 8.78942 9.40363 10.3042 9.59729 11.915 numMergedOcc 0
7 mol 146 unq 0 iso 0 dist 5.50187 5.88606 5.41078 7.42348 7.78784 4.23789 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 8.39573 11.4382 6.76746 10.7348 9.92831 5.82984 numMergedOcc 0
9 mol 195 unq 0 iso 0 dist 7.75518 7.60926 9.74988 7.83764 6.396 7.42365 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 5.81438 5.64245 5.3819 5.9546 9.26214 8.39741 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 5.81438 5.64245 5.3819 5.9943 5.00369 4.08137 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 6.0155 12.5858 9.58372 5.77142 4.85332 7.451 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 6.58871 5.56523 9.59084 5.27109 9.37602 5.88376 numMergedOcc 0
14 mol 217 unq 1 iso 0 dist 6.58871 5.56523 9.59084 7.51531 8.26522 4.22021 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.67281 11.7895 9.84652 5.36582 4.66186 9.79637 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 5.38409 10.6582 8.84523 8.40364 8.55539 5.46368 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 8.45524 5.96784 8.84523 5.72387 8.55539 5.46368 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 6.95569 10.5519 9.06937 9.73521 9.02537 14.7645 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 7.32002 10.5538 6.1905 5.1002 6.22943 6.87619 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 7.32002 10.5538 6.1905 7.99979 9.31056 11.493 numMergedOcc 0
