0 mol 113 unq 0 iso 0 dist 6.36631 13.8532 8.67025 4.8668 4.49669 10.1118 8.94447 5.09579 9.85902 5.45882 numMergedOcc 0
1 mol 113 unq 1 iso 0 dist 6.36631 13.8532 8.67025 8.60367 6.00221 8.19901 8.94447 5.09579 9.85902 4.57487 numMergedOcc 0
2 mol 113 unq 2 iso 0 dist 6.24308 11.2557 9.60127 4.8668 5.88896 8.39067 8.94447 5.46299 5.29949 5.45882 numMergedOcc 0
3 mol 204 unq 0 iso 0 dist 8.47283 5.10199 7.98864 10.816 9.93489 5.80328 9.01666 7.51762 5.3819 4.51124 numMergedOcc 0
4 mol 204 unq 1 iso 0 dist 8.47283 5.10199 7.98864 4.27546 7.64057 3.68217 9.01666 7.51762 5.3819 8.41517 numMergedOcc 0
5 mol 214 unq 0 iso 0 dist 7.93054 5.055 7.66702 4.26898 7.42759 3.64285 8.20906 4.00138 9.58372 7.72298 numMergedOcc 0
6 mol 254 unq 0 iso 0 dist 8.80049 5.08612 5.6417 13.8734 7.85841 8.8967 12.9598 6.19835 9.66641 7.23916 numMergedOcc 0
7 mol 254 unq 1 iso 0 dist 8.80049 5.08612 5.6417 15.5851 9.20109 10.929 12.9598 6.19835 9.66641 6.12653 numMergedOcc 0
8 mol 254 unq 2 iso 0 dist 8.80049 5.81569 7.42831 13.8734 7.85841 9.42679 12.9598 6.19835 9.26575 7.23916 numMergedOcc 0
9 mol 254 unq 3 iso 0 dist 8.80049 5.81569 7.42831 15.5851 9.20109 10.706 12.9598 6.19835 9.26575 6.12653 numMergedOcc 0
10 mol 260 unq 0 iso 0 dist 4.54064 4.87707 8.51564 3.43932 6.48099 3.68866 6.29389 5.91135 8.93646 5.30187 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 8.70774 5.62605 5.13533 14.9564 7.98956 10.5214 17.2138 13.6468 12.3265 9.62597 numMergedOcc 0
12 mol 285 unq 0 iso 0 dist 5.93983 7.67857 7.73438 8.32005 5.88958 10.5542 11.2981 6.01515 12.8128 6.01404 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 11.727 7.45064 11.4938 7.1388 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 11.727 7.45064 11.4938 7.1388 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 11.727 7.45064 11.4938 7.1388 numMergedOcc 0
