0 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 5.31827 8.76003 6.91052 7.96502 6.32949 8.30431 10.6661 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 5.50504 6.97911 5.92705 5.31827 8.76003 7.34319 7.96502 6.32949 4.628 10.6661 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 8.84131 10.8385 9.10229 6.87786 9.94856 6.83631 6.7095 7.49575 5.43401 6.793 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 11.3386 8.71128 10.453 6.15949 5.24877 5.31281 11.3006 numMergedOcc 0
4 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 11.7065 8.96511 11.6559 9.3355 13.6129 8.14441 19.3356 numMergedOcc 0
5 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 14.5382 8.99696 10.1284 13.2088 8.58314 8.51118 14.8934 numMergedOcc 0
6 mol 197 unq 1 iso 0 dist 7.70631 16.2482 8.64255 12.215 7.85058 9.91133 13.2088 8.58314 8.51118 10.7501 numMergedOcc 0
7 mol 197 unq 2 iso 0 dist 7.70631 16.2482 8.64255 16.4731 9.96638 8.50763 13.2088 8.58314 8.51118 15.3308 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 8.02272 6.84247 12.3402 10.4705 6.19375 7.57712 12.6808 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 9.32762 6.99002 7.84277 10.4705 6.19375 7.57712 5.00266 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 9.66521 5.34424 9.18675 5.52296 5.86443 6.07589 8.25412 5.14019 5.2851 6.20188 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 9.66521 5.34424 9.18675 6.32385 7.22914 9.95811 8.25412 5.14019 5.2851 9.47836 numMergedOcc 0
12 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 10.2858 6.07192 4.11367 11.8652 9.48478 8.11968 9.83514 numMergedOcc 0
13 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 12.9898 9.41725 9.14131 10.6227 7.44724 6.23539 12.4404 numMergedOcc 0
14 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 7.70648 6.35287 4.8589 6.03414 8.66976 8.87405 9.95186 numMergedOcc 0
