0 mol 18 unq 0 iso 0 dist 8.24798 5.3982 6.72533 8.02079 5.79834 8.29216 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02079 5.3982 8.29216 8.24798 5.79834 6.72533 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 9.75733 5.84901 7.86678 13.3612 11.3476 9.27229 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.04448 10.9027 3.59451 12.2487 5.4823 6.2491 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 8.41491 11.1197 8.6728 14.2504 11.7765 7.26246 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.28645 9.10324 9.37708 14.3543 15.3111 9.17909 numMergedOcc 0
6 mol 125 unq 0 iso 0 dist 8.12448 5.49502 9.64304 11.1432 10.6764 6.6081 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 4.69926 9.75051 8.26291 16.5479 13.7304 7.86001 numMergedOcc 0
8 mol 209 unq 0 iso 0 dist 9.39076 6.9812 9.56015 11.7701 6.11542 7.757 numMergedOcc 0
9 mol 211 unq 0 iso 0 dist 9.76309 4.20557 9.63472 6.42375 5.16245 5.42004 numMergedOcc 0
10 mol 211 unq 1 iso 0 dist 9.76309 4.20557 9.63472 13.2513 10.8098 9.63103 numMergedOcc 0
11 mol 211 unq 2 iso 0 dist 9.76309 7.9703 7.15386 10.4495 4.78922 9.45365 numMergedOcc 0
12 mol 211 unq 3 iso 0 dist 9.76309 7.9703 7.15386 6.42375 5.16245 7.73993 numMergedOcc 0
13 mol 211 unq 4 iso 0 dist 6.42375 4.20557 5.42004 9.76309 5.16245 9.63472 numMergedOcc 0
14 mol 211 unq 5 iso 0 dist 6.42375 4.20557 5.42004 13.2513 9.68345 9.63103 numMergedOcc 0
15 mol 211 unq 6 iso 0 dist 6.42375 7.9703 7.73993 9.76309 5.16245 7.15386 numMergedOcc 0
16 mol 211 unq 7 iso 0 dist 6.42375 7.9703 7.73993 10.4495 8.05917 9.45365 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 11.2285 10.6003 9.27643 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.21479 8.47021 4.46314 12.3264 9.5675 7.33708 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 6.23198 8.55761 8.3298 10.5291 10.3809 9.05149 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 8.82216 5.33348 8.3298 11.2048 10.3809 9.05149 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.8693 8.62596 5.38704 13.3831 6.61591 8.26695 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 6.8693 13.2785 8.05503 14.4954 11.2805 7.59956 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 6.8693 13.2785 8.05503 13.3831 6.61591 5.59151 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 7.03782 11.0932 8.26695 12.493 6.61591 5.38704 numMergedOcc 0
25 mol 274 unq 4 iso 0 dist 7.03782 5.66978 5.59151 10.81 10.1205 7.59956 numMergedOcc 0
26 mol 274 unq 5 iso 0 dist 7.03782 5.66978 5.59151 12.493 6.61591 8.05503 numMergedOcc 0
27 mol 274 unq 6 iso 0 dist 9.04647 5.88732 7.24089 12.897 7.42692 9.29005 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 7.67032 15.5265 7.88102 18.6676 11.2306 5.25218 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 7.67032 15.5265 7.88102 16.5235 10.2609 8.31465 numMergedOcc 0
30 mol 279 unq 2 iso 0 dist 9.24895 7.88157 8.76889 12.3747 6.55493 7.04397 numMergedOcc 0
31 mol 279 unq 3 iso 0 dist 8.34154 12.3885 8.76889 9.07176 6.55493 7.04397 numMergedOcc 0
32 mol 279 unq 4 iso 0 dist 9.07176 12.3885 7.04397 8.34154 6.55493 8.76889 numMergedOcc 0
