0 mol 7 unq 0 iso 0 dist 9.83056 13.9585 7.21217 19.3325 12.4418 9.36807 18.245 13.2513 13.2247 6.36911 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.93406 4.67517 9.56737 12.3446 17.0485 8.89374 9.89708 12.9335 5.35073 8.63333 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.93406 4.67517 9.56737 12.3446 17.0485 8.89374 10.1082 17.1344 8.62958 6.46761 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.93406 4.67517 9.56737 12.3446 17.0485 8.89374 16.1292 23.3119 14.176 9.73139 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.00221 4.23724 6.6003 9.31622 5.78769 9.54144 9.78246 12.2258 10.6748 8.68586 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.98876 4.58978 7.88564 6.18729 5.07584 4.76815 4.73852 11.4822 6.90824 9.39469 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 5.38954 5.17524 7.70533 9.77482 12.4058 6.62561 10.7342 14.7579 7.22206 7.63616 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.97262 4.93029 6.42756 7.6461 9.82776 6.93652 5.83329 11.6435 5.67306 9.54444 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 5.82588 4.37081 6.42756 11.0806 9.82776 6.93652 7.8305 11.6435 5.67306 9.54444 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 9.90846 5.63656 6.42756 12.1853 9.82776 6.93652 5.08384 11.6435 5.67306 9.54444 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.12739 6.87887 5.08206 13.752 11.5085 9.8589 10.6167 11.7895 7.42466 7.24908 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.47309 10.5254 6.56437 10.8956 10.4999 6.67585 8.1404 9.2491 4.70378 6.65984 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 5.59164 5.77573 6.83152 9.02302 6.03021 5.38637 4.67735 5.24313 5.42006 6.55759 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 5.59164 4.67735 5.24313 9.02302 6.03021 6.55759 5.77573 6.83152 5.42006 5.38637 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 5.59164 4.67735 5.24313 9.9648 5.27451 7.02475 16.9431 13.7608 12.9854 8.96531 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 5.59164 4.67735 5.24313 10.8178 11.3884 7.19008 6.7575 10.2654 5.34096 7.49471 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 6.86905 5.88384 5.56719 12.3291 14.7671 9.29858 12.8163 12.9351 10.1648 9.68513 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 8.9281 5.0425 5.78121 10.7504 4.16447 8.96876 12.6924 7.29898 8.34718 8.83735 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 8.9281 12.6924 7.29898 10.7504 4.16447 8.83735 5.0425 5.78121 8.34718 8.96876 numMergedOcc 0
