0 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 5.5249 8.80331 10.323 8.60781 9.83618 12.8035 10.4442 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 8.60781 9.83618 12.8035 9.49077 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.90024 18.5048 9.74445 13.9129 8.80331 10.323 12.664 9.83618 12.8035 10.4442 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 12.664 9.83618 12.8035 9.49077 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 11.9429 6.62496 11.5882 10.5083 9.64665 11.5448 4.67832 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 7.62418 6.65721 10.7369 5.31827 8.76003 6.91052 5.83489 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 5.50504 5.25196 9.62468 6.53977 6.72123 11.5608 5.31827 8.76003 6.91052 7.39396 numMergedOcc 0
7 mol 61 unq 2 iso 0 dist 5.50504 6.97911 5.92705 7.62418 6.65721 5.4671 5.31827 8.76003 7.34319 5.83489 numMergedOcc 0
8 mol 61 unq 3 iso 0 dist 5.50504 6.97911 5.92705 6.53977 6.72123 10.1513 5.31827 8.76003 7.34319 7.39396 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 8.84131 10.8385 9.10229 8.90571 7.36792 8.17186 6.87786 9.94856 6.83631 5.498 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.49725 7.5732 7.18757 11.3386 8.71128 10.453 5.80557 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 16.7609 9.2313 13.1936 9.01957 7.15475 5.81429 9.49653 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 13.5268 7.73169 12.288 9.01957 7.15475 5.81429 7.53854 numMergedOcc 0
13 mol 142 unq 2 iso 0 dist 8.86346 7.25495 7.57458 12.1759 8.96657 14.2067 9.01957 7.15475 5.81429 10.3477 numMergedOcc 0
14 mol 142 unq 3 iso 0 dist 4.93681 5.20379 7.57458 12.8283 9.2313 13.1936 6.17441 7.15475 5.81429 9.49653 numMergedOcc 0
15 mol 142 unq 4 iso 0 dist 4.93681 5.20379 7.57458 10.1677 7.73169 12.288 6.17441 7.15475 5.81429 7.53854 numMergedOcc 0
16 mol 142 unq 5 iso 0 dist 4.93681 5.20379 7.57458 10.0866 8.96657 14.2067 6.17441 7.15475 5.81429 10.3477 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 5.65129 8.56324 9.66339 4.99991 9.13561 10.5988 5.99333 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 4.99991 9.13561 10.5988 8.25411 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 4.99991 9.13561 10.5988 7.89109 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 11.7065 8.96511 11.6559 10.5783 numMergedOcc 0
21 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 11.7065 8.96511 11.6559 5.96647 numMergedOcc 0
22 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 11.7065 8.96511 11.6559 12.075 numMergedOcc 0
23 mol 178 unq 3 iso 0 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 11.7065 8.96511 11.6559 9.92132 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 14.5382 8.99696 10.1284 9.82139 numMergedOcc 0
25 mol 197 unq 1 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 12.215 7.85058 9.91133 8.72637 numMergedOcc 0
26 mol 197 unq 2 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 16.4731 9.96638 8.50763 5.69148 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 12.2116 9.23153 14.6296 8.02272 6.84247 12.3402 6.7067 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 12.2116 9.23153 14.6296 9.32762 6.99002 7.84277 15.9568 numMergedOcc 0
29 mol 220 unq 2 iso 0 dist 8.14644 14.5536 7.31105 12.2916 8.24498 9.52692 8.02272 6.84247 12.3402 6.05129 numMergedOcc 0
30 mol 220 unq 3 iso 0 dist 8.14644 14.5536 7.31105 12.2916 8.24498 9.52692 9.32762 6.99002 7.84277 11.1321 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.39537 6.39493 9.75174 9.53107 6.57393 13.477 7.28423 6.91569 5.1967 10.9761 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 7.63032 7.69895 4.53213 10.2858 6.07192 4.11367 6.48757 numMergedOcc 0
33 mol 248 unq 1 iso 0 dist 7.40475 11.0674 8.71859 6.42334 7.21521 6.33032 10.2858 6.07192 4.11367 5.51827 numMergedOcc 0
34 mol 248 unq 2 iso 0 dist 7.40475 11.0674 8.71859 6.86606 8.2965 11.762 10.2858 6.07192 4.11367 9.29921 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 12.9898 9.41725 9.14131 6.58374 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 12.8387 8.44326 10.5903 7.70648 6.35287 4.8589 6.07447 numMergedOcc 0
