0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 9.80599 5.44992 5.72491 16.2933 12.2333 12.2041 7.88043 13.2513 13.2247 10.5461 10.2446 8.41585 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 15.1191 9.06158 9.93832 14.445 6.20293 8.13395 8.60739 13.964 5.06502 10.5523 5.64171 5.73819 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.74445 10.323 8.80331 15.1191 9.06158 9.93832 14.445 6.20293 8.13395 8.60739 15.3221 6.45462 14.7803 11.3891 8.93915 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 10.5067 15.7304 7.04044 5.44275 10.2049 5.4148 8.73253 7.26679 15.7123 9.96396 8.26458 6.19304 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 14.8476 15.7304 7.04044 8.0624 10.2049 5.4148 8.73253 10.1503 15.7123 9.96396 8.26458 6.19304 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.89722 5.2774 6.19304 13.0088 8.26458 8.73253 10.4716 9.96396 5.4148 7.04044 11.7436 15.7123 10.2049 15.7304 9.38498 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 13.0088 8.26458 8.73253 10.4716 9.96396 5.4148 7.04044 14.4206 12.016 11.6369 8.35241 9.75218 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 7.26679 5.44275 6.19304 10.5067 8.26458 8.73253 8.31041 9.96396 5.4148 7.04044 9.68526 15.7123 10.2049 15.7304 9.38498 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 7.26679 5.44275 6.19304 10.5067 8.26458 8.73253 8.31041 9.96396 5.4148 7.04044 9.30776 12.016 11.6369 8.35241 9.75218 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 9.30776 8.31041 9.75218 10.5067 8.35241 7.04044 5.44275 11.6369 5.4148 8.73253 7.26679 12.016 9.96396 8.26458 6.19304 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 16.9699 13.9874 5.0812 6.43433 24.0782 20.4252 12.603 8.56707 7.71338 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 14.8536 9.35627 9.77552 13.9994 6.70283 7.65448 8.28642 13.6844 5.42328 10.399 5.70788 5.87555 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.10619 9.66339 8.56324 14.8536 9.35627 9.77552 13.9994 6.70283 7.65448 8.28642 15.1988 6.4896 14.1618 11.2078 8.67331 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 9.74498 10.7816 8.67331 17.5431 11.2078 8.28642 17.605 14.1618 7.65448 9.77552 13.0082 6.4896 6.70283 9.35627 8.56324 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 9.17826 13.2783 8.65997 13.4281 11.0628 5.4694 14.9329 7.22101 5.22356 8.38865 13.0242 4.39704 10.8157 12.9587 7.09863 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 9.64299 7.69739 7.09863 14.0932 12.9587 8.38865 12.5771 10.8157 5.22356 5.4694 12.7101 4.39704 7.22101 11.0628 8.65997 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 18.4145 11.7165 7.0298 5.77318 18.1019 8.36584 11.6115 7.7339 9.87838 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 4.7359 5.63086 8.24186 6.16697 9.45496 5.88703 7.5366 8.47009 7.82322 9.36357 5.6819 6.7625 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 4.7359 5.63086 7.5366 4.74041 6.56247 5.88703 8.24186 10.6962 6.29886 12.9605 11.7705 8.34494 numMergedOcc 0
19 mol 234 unq 2 iso 0 dist 5.89084 6.16697 9.45496 4.7359 5.63086 7.5366 4.74041 6.56247 5.88703 8.24186 8.47009 7.82322 6.7625 5.6819 9.36357 numMergedOcc 0
20 mol 234 unq 3 iso 0 dist 8.47009 4.74041 9.36357 4.7359 5.6819 8.24186 6.16697 6.7625 5.88703 7.5366 5.89084 7.82322 6.56247 5.63086 9.45496 numMergedOcc 0
21 mol 234 unq 4 iso 0 dist 8.47009 6.16697 6.7625 4.7359 5.6819 7.5366 4.74041 9.36357 5.88703 8.24186 10.6962 12.1694 12.9605 11.7705 8.34494 numMergedOcc 0
22 mol 234 unq 5 iso 0 dist 8.47009 6.16697 6.7625 4.7359 5.6819 7.5366 4.74041 9.36357 5.88703 8.24186 5.89084 7.82322 9.45496 5.63086 6.56247 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.58006 11.8501 7.46176 11.5672 5.60748 8.55558 18.8755 12.0576 9.98105 8.59697 17.4878 12.5353 11.858 7.31951 5.30224 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 5.7564 4.86504 9.64269 6.72149 8.46116 8.12676 8.46061 10.342 5.40809 13.2494 8.7909 8.33638 numMergedOcc 0
25 mol 272 unq 1 iso 0 dist 6.94346 9.58279 8.33638 14.5853 8.7909 8.46061 16.0678 13.2494 8.12676 9.64269 11.7245 5.40809 8.46116 4.86504 9.97651 numMergedOcc 0
