0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 10.9859 6.91778 9.15528 8.21826 9.67081 8.29174 5.8463 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 10.7304 8.95682 6.18002 5.46849 9.02471 12.6657 10.4863 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 10.7304 8.95682 8.38399 5.46849 9.02471 14.0654 10.4863 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 13.6875 7.17488 4.59417 8.76454 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 9.01767 6.42572 7.36792 10.4216 8.31932 7.42011 8.94532 5.54256 3.48119 7.28191 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 9.80678 5.54551 7.36792 12.8733 8.31932 7.42011 6.94341 5.54256 3.48119 7.28191 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 12.5697 6.84011 7.436 13.1958 9.93438 6.25685 5.99273 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 8.33083 12.4383 8.37808 10.4589 8.88537 5.0355 12.2092 4.42563 7.90729 8.90201 numMergedOcc 0
8 mol 122 unq 1 iso 0 dist 8.33083 12.4383 8.37808 7.09391 9.23819 7.39059 12.2092 4.42563 7.90729 11.3935 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 7.83619 10.0837 9.28393 7.91054 7.96646 6.73735 4.81304 5.92733 6.00473 3.88766 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 9.91643 7.40242 9.28393 11.6197 7.96646 6.73735 11.0219 5.92733 6.00473 3.88766 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 4.17212 8.70296 14.2045 5.51548 8.80895 11.6692 5.92118 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.97145 14.257 6.85062 13.6005 9.25558 5.09131 5.51548 8.80895 11.6692 10.2176 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 6.5874 7.60371 6.85062 9.64263 8.70296 14.2045 5.61122 8.80895 11.6692 5.92118 numMergedOcc 0
14 mol 131 unq 3 iso 0 dist 6.5874 7.60371 6.85062 5.55307 9.25558 5.09131 5.61122 8.80895 11.6692 10.2176 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 10.5222 9.39352 7.27408 10.8953 9.19156 13.8965 11.8094 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.43584 12.4616 9.61492 5.42117 4.8668 9.13652 14.8213 9.31158 10.8636 9.43113 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 8.43584 10.6123 7.45763 5.42117 4.8668 5.8535 14.8213 9.31158 5.42503 9.43113 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 9.67457 5.82028 6.18308 11.6718 7.10826 5.87279 8.81074 6.85824 4.29623 4.73037 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.37342 5.29737 6.16342 7.48655 8.84636 4.30299 7.72768 4.43499 4.32238 5.76503 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 5.81927 9.49027 6.97229 7.15953 7.6595 6.7919 4.87461 7.12221 6.24714 4.97531 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 5.81927 9.49027 6.97229 7.15953 7.6595 6.7919 9.93118 5.4557 4.02333 7.26991 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 14.679 9.85289 6.20558 10.9841 9.83622 4.24652 5.14522 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.696 5.1874 8.49997 14.679 9.85289 11.4459 10.9841 9.83622 7.38951 5.14522 numMergedOcc 0
