0 mol 16 unq 0 iso 0 dist 8.33883 5.38671 5.05803 5.77753 6.2983 7.03948 5.45161 6.31718 6.92781 5.47769 8.63347 4.65873 6.57331 4.68733 8.43054 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.45161 6.31718 5.77753 6.2983 5.47769 5.38671 5.05803 6.92781 7.03948 11.3479 5.01101 11.0298 9.87867 6.42835 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.33883 5.45161 6.31718 5.77753 6.2983 5.47769 5.38671 5.05803 6.92781 7.03948 8.63347 4.65873 8.43054 4.68733 6.57331 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 9.51458 13.4082 8.70133 5.44275 10.2049 5.4148 4.65521 12.3622 18.7673 12.2276 6.10063 8.68662 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.68526 8.31041 9.38498 9.51458 13.4082 8.70133 5.44275 10.2049 5.4148 4.65521 11.4233 17.4121 9.73086 6.15714 7.4369 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.72442 11.7069 9.38498 10.9127 13.4082 8.70133 8.0624 10.2049 5.4148 4.65521 14.4361 18.7673 12.2276 6.10063 8.68662 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.72442 11.7069 9.38498 10.9127 13.4082 8.70133 8.0624 10.2049 5.4148 4.65521 14.3455 17.4121 9.73086 6.15714 7.4369 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 6.89722 10.4716 9.96396 6.4154 7.41074 8.70133 5.2774 6.19304 5.4148 4.65521 9.71578 6.20232 12.2276 6.10063 8.68662 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 6.89722 10.4716 9.96396 6.4154 7.41074 8.70133 5.2774 6.19304 5.4148 4.65521 10.1662 5.70116 9.73086 6.15714 7.4369 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 6.89722 5.2774 6.19304 6.4154 7.41074 4.65521 10.4716 9.96396 5.4148 8.70133 10.1662 5.70116 7.4369 6.15714 9.73086 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 7.26679 8.31041 9.96396 9.51458 7.41074 8.70133 5.44275 6.19304 5.4148 4.65521 12.3622 6.20232 12.2276 6.10063 8.68662 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 7.26679 8.31041 9.96396 9.51458 7.41074 8.70133 5.44275 6.19304 5.4148 4.65521 11.4233 5.70116 9.73086 6.15714 7.4369 numMergedOcc 0
12 mol 73 unq 9 iso 0 dist 7.26679 5.44275 6.19304 9.51458 7.41074 4.65521 8.31041 9.96396 5.4148 8.70133 11.4233 5.70116 7.4369 6.15714 9.73086 numMergedOcc 0
13 mol 73 unq 10 iso 0 dist 9.30776 8.31041 9.75218 9.51458 15.9882 8.70133 5.44275 11.6369 5.4148 4.65521 12.3622 17.2422 12.2276 6.10063 8.68662 numMergedOcc 0
14 mol 73 unq 11 iso 0 dist 9.30776 8.31041 9.75218 9.51458 15.9882 8.70133 5.44275 11.6369 5.4148 4.65521 11.4233 14.844 9.73086 6.15714 7.4369 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 4.98104 5.50764 6.82344 11.3299 6.99832 9.70512 10.7572 7.4729 8.95922 5.81965 8.67475 4.46885 11.1432 7.94489 8.3773 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 12.907 4.91401 6.62561 14.2649 7.83136 7.22206 7.63616 13.2718 3.55765 10.4223 5.56883 8.19331 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 9.85576 14.2649 7.83136 12.907 4.91401 7.63616 10.4589 7.90328 7.22206 6.62561 13.8641 10.5783 11.6387 6.95589 6.10127 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 14.4347 13.1312 7.34519 15.5327 14.9565 6.16471 6.63981 20.1625 17.5098 11.5667 6.15949 7.79505 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.33771 5.41021 8.95269 6.4508 5.29877 6.67585 4.91322 6.57273 4.70378 6.65984 11.6785 7.05804 13.2325 10.9705 8.79428 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 8.34104 6.43754 8.17891 13.2783 8.65997 5.22356 6.95902 11.1592 5.0317 5.23634 4.09934 6.91318 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 8.34104 6.43754 6.95902 14.9329 7.22101 5.22356 8.17891 11.1592 5.0317 6.91318 4.09934 5.23634 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 14.2244 9.13836 8.17891 12.5771 10.8157 5.22356 6.95902 10.3251 5.83175 5.23634 4.09934 6.91318 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 10.6283 11.216 6.25105 6.16697 9.45496 5.88703 7.85175 12.4723 12.4252 11.6391 10.5304 7.81215 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 8.47009 4.74041 9.36357 10.6283 11.4315 6.25105 6.16697 6.7625 5.88703 7.85175 12.4723 5.75498 11.6391 10.5304 7.81215 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 8.77254 10.054 8.35971 13.6012 6.40312 7.17676 16.5623 11.2141 7.28249 5.34718 19.4046 16.9105 10.1317 13.0765 9.3206 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.75174 13.477 6.57393 12.9258 6.20606 5.38637 16.623 11.101 5.42006 6.55759 24.1856 20.1157 13.9551 15.4844 9.12776 numMergedOcc 0
