0 mol 28 unq 0 iso 0 dist 8.48456 5.61871 5.42412 12.0167 3.97968 7.82759 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.13608 7.23274 5.42426 12.3374 7.66677 6.93709 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 7.13608 7.23274 5.42426 8.14455 5.46097 6.38271 numMergedOcc 0
3 mol 32 unq 2 iso 0 dist 4.95327 7.23274 8.03553 12.3374 10.2379 6.93709 numMergedOcc 0
4 mol 32 unq 3 iso 0 dist 4.95327 7.23274 8.03553 8.14455 5.27549 6.38271 numMergedOcc 0
5 mol 32 unq 4 iso 0 dist 9.46895 6.59787 5.42426 5.07365 7.66677 6.93709 numMergedOcc 0
6 mol 32 unq 5 iso 0 dist 9.46895 6.59787 5.42426 9.32837 5.46097 6.38271 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 7.43338 8.28528 7.44805 12.9018 8.16858 8.99393 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 9.8089 9.57279 6.64921 13.0039 5.46484 7.60619 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 4.56886 7.67738 7.34765 9.72543 5.38996 8.41675 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.5614 4.49266 5.28634 11.4907 3.44158 7.57472 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.95432 17.2865 9.98554 20.2792 13.1628 5.78626 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 8.95432 17.2865 9.98554 11.9558 8.64986 9.8417 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 7.8052 11.4281 8.00005 14.8046 8.39667 7.55302 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 9.23669 5.41527 8.98633 9.69783 7.8719 5.8294 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.10828 10.0889 5.4687 15.9594 13.9377 9.29322 numMergedOcc 0
16 mol 269 unq 0 iso 0 dist 7.76667 4.89258 9.20068 3.8892 5.02427 5.17111 numMergedOcc 0
17 mol 269 unq 1 iso 0 dist 7.76667 4.89258 9.20068 11.8447 10.8859 7.79735 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.44356 5.27788 8.39976 13.2944 12.0536 8.36585 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 9.24592 10.326 5.55176 18.6319 10.154 9.57637 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.44356 5.27788 8.39976 13.2944 12.0536 8.36585 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 9.24592 10.326 5.55176 18.6319 10.154 9.57637 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.44356 5.27788 8.39976 13.2944 12.0536 8.36585 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 9.24592 10.326 5.55176 18.6319 10.154 9.57637 numMergedOcc 0
