0 mol 16 unq 0 iso 0 dist 8.63347 5.45161 8.43054 9.79958 9.81307 7.63133 6.43294 11.1513 5.32694 5.46498 11.6041 16.7405 10.4155 8.71745 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.63347 5.45161 8.43054 9.79958 9.81307 7.63133 11.6041 16.7405 10.4155 8.71745 6.43294 11.1513 5.32694 5.46498 5.74188 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 12.5807 5.07458 5.73819 16.6588 10.0168 5.06502 6.20293 14.7268 10.9975 5.89973 8.93915 6.45462 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.03914 12.1132 6.66407 12.5807 5.07458 5.73819 14.7268 10.9975 5.89973 8.93915 16.6588 10.0168 5.06502 6.20293 6.45462 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.04174 9.97169 6.66407 12.2944 5.07458 5.73819 13.9194 10.0168 5.06502 6.20293 15.4668 10.9975 5.89973 8.93915 6.45462 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 9.04174 9.97169 6.66407 12.2944 5.07458 5.73819 15.4668 10.9975 5.89973 8.93915 13.9194 10.0168 5.06502 6.20293 6.45462 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 14.6361 11.2069 8.70481 20.0928 13.3207 14.9342 9.96396 19.4342 13.8368 13.3558 6.19304 5.4148 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 7.91605 6.71593 5.5087 14.6361 11.2069 8.70481 19.4342 13.8368 13.3558 6.19304 20.0928 13.3207 14.9342 9.96396 5.4148 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.43707 6.71593 6.08682 14.6361 10.6713 8.70481 20.0928 14.498 14.9342 9.96396 19.4342 14.5999 13.3558 6.19304 5.4148 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 6.43707 6.71593 6.08682 14.6361 10.6713 8.70481 19.4342 14.5999 13.3558 6.19304 20.0928 14.498 14.9342 9.96396 5.4148 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.32738 5.78906 6.04595 11.1013 5.03039 7.30858 14.24 10.5599 10.8507 5.83991 17.0053 11.8378 11.5723 7.88312 8.02349 numMergedOcc 0
11 mol 115 unq 0 iso 1 dist 8.32738 5.78906 6.04595 11.1013 5.03039 7.30858 17.0053 11.8378 11.5723 7.88312 14.24 10.5599 10.8507 5.83991 8.02349 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.78112 9.66339 8.9192 9.10619 4.84714 8.56324 13.9994 9.27706 7.65448 6.70283 14.2552 11.6735 10.6875 7.16148 5.49936 numMergedOcc 0
13 mol 152 unq 0 iso 1 dist 8.78112 9.66339 8.9192 9.10619 4.84714 8.56324 14.2552 11.6735 10.6875 7.16148 13.9994 9.27706 7.65448 6.70283 5.49936 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 12.4338 10.0638 5.34677 6.43573 13.9722 13.2692 11.7381 7.17202 9.89739 numMergedOcc 0
15 mol 178 unq 0 iso 1 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 13.9722 13.2692 11.7381 7.17202 12.4338 10.0638 5.34677 6.43573 9.89739 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 12.4338 10.0638 5.34677 6.43573 13.5599 15.0672 14.0703 8.81551 10.5529 numMergedOcc 0
17 mol 178 unq 1 iso 1 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 13.5599 15.0672 14.0703 8.81551 12.4338 10.0638 5.34677 6.43573 10.5529 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 13.9722 13.2692 11.7381 7.17202 13.5599 15.0672 14.0703 8.81551 5.18005 numMergedOcc 0
19 mol 178 unq 1 iso 1 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 13.5599 15.0672 14.0703 8.81551 13.9722 13.2692 11.7381 7.17202 5.18005 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.82338 10.568 6.61112 16.7935 11.0961 7.54065 24.3337 18.4751 13.8792 9.70748 11.1286 11.456 5.74635 8.87694 14.9058 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 9.82338 10.568 6.61112 16.7935 11.0961 7.54065 11.1286 11.456 5.74635 8.87694 24.3337 18.4751 13.8792 9.70748 14.9058 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 11.0097 6.84862 7.21333 18.0384 14.4477 13.3522 8.01589 10.7252 10.0233 5.24516 7.7699 10.4579 numMergedOcc 0
23 mol 222 unq 0 iso 1 dist 5.07975 5.66819 5.56538 11.0097 6.84862 7.21333 10.7252 10.0233 5.24516 7.7699 18.0384 14.4477 13.3522 8.01589 10.4579 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 4.85015 5.66819 7.48954 11.0097 9.53117 7.21333 18.0384 16.3082 13.3522 8.01589 10.7252 11.839 5.24516 7.7699 10.4579 numMergedOcc 0
25 mol 222 unq 1 iso 1 dist 4.85015 5.66819 7.48954 11.0097 9.53117 7.21333 10.7252 11.839 5.24516 7.7699 18.0384 16.3082 13.3522 8.01589 10.4579 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 7.90773 4.53213 9.05018 8.71859 4.58289 7.69895 6.33032 9.33962 5.55137 7.21521 11.762 11.4547 10.8081 8.2965 5.86196 numMergedOcc 0
27 mol 248 unq 0 iso 1 dist 7.90773 4.53213 9.05018 8.71859 4.58289 7.69895 11.762 11.4547 10.8081 8.2965 6.33032 9.33962 5.55137 7.21521 5.86196 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 9.73021 7.40852 7.19638 16.5881 13.1298 14.9102 8.33025 12.5855 10.5687 11.7918 9.2288 8.41807 numMergedOcc 0
29 mol 252 unq 0 iso 1 dist 4.54745 5.26867 7.15764 9.73021 7.40852 7.19638 12.5855 10.5687 11.7918 9.2288 16.5881 13.1298 14.9102 8.33025 8.41807 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 9.45329 7.52275 9.59325 12.4988 12.2939 9.01049 10.3091 14.6946 7.03728 6.92774 15.3019 15.4762 8.05475 9.2983 8.55278 numMergedOcc 0
31 mol 273 unq 0 iso 1 dist 9.45329 7.52275 9.59325 12.4988 12.2939 9.01049 15.3019 15.4762 8.05475 9.2983 10.3091 14.6946 7.03728 6.92774 8.55278 numMergedOcc 0
