0 mol 26 unq 0 iso 0 dist 7.10804 5.272 6.06906 14.7616 8.62527 14.4439 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 8.06502 9.04246 9.74711 10.8072 6.04611 13.943 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.16429 7.28226 5.36222 11.3005 7.88704 11.4966 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.16429 7.28226 5.36222 6.54776 6.55352 10.6301 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 7.16429 7.28226 5.36222 6.98135 9.05437 9.33202 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 7.16429 7.28226 5.36222 4.31442 9.00625 6.55004 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.85783 5.8785 5.66517 11.6695 8.41491 14.0033 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 9.57415 7.79845 13.8244 9.15324 8.08406 14.8819 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 9.57415 7.79845 13.8244 6.32317 5.73579 12.8674 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 9.17333 7.26891 5.21599 4.05045 6.59749 7.31277 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 6.55345 8.3311 7.4314 9.11877 9.9224 7.252 numMergedOcc 0
11 mol 192 unq 1 iso 0 dist 6.55345 7.6168 9.81428 9.11877 9.9224 10.957 numMergedOcc 0
12 mol 192 unq 2 iso 0 dist 6.55345 4.95155 6.38465 9.11877 9.9224 11.8281 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.10646 5.1498 6.30987 8.12353 6.64341 10.884 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.10646 5.1498 6.30987 10.6332 7.31315 12.7925 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 8.25961 9.99681 10.9953 3.63541 7.44436 11.8093 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.27557 5.59164 7.10888 10.4312 9.18345 12.1043 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 8.77503 7.89536 4.23812 3.82085 9.80526 10.3063 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 9.05448 9.744 9.74628 11.2556 7.30582 14.1667 numMergedOcc 0
19 mol 241 unq 2 iso 0 dist 9.05448 7.62827 4.36577 11.2556 7.30582 10.9071 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.5835 8.53984 12.026 12.1004 9.27027 11.3109 numMergedOcc 0
21 mol 257 unq 1 iso 0 dist 8.5835 8.53984 12.026 11.3116 7.87058 16.8107 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 6.81635 7.42888 9.56106 3.89286 5.53473 10.3095 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.80603 8.87598 9.33289 6.00285 5.16838 5.45793 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 7.99979 6.87275 9.80648 4.8897 9.66477 11.4683 numMergedOcc 0
25 mol 278 unq 1 iso 0 dist 8.0742 7.02416 9.80648 10.6796 9.66477 11.4683 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 7.11407 5.78449 5.2842 3.85698 9.69083 8.80555 numMergedOcc 0
27 mol 283 unq 1 iso 0 dist 7.11407 5.78449 5.2842 7.85589 5.96202 8.80418 numMergedOcc 0
28 mol 283 unq 2 iso 0 dist 7.11407 5.78449 5.2842 10.1709 9.55068 13.3976 numMergedOcc 0
