0 mol 0 unq 0 iso 0 dist 9.42137 14.5258 7.15528 13.5016 5.47921 6.94181 20.0903 11.788 5.85361 9.16606 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.13983 5.63648 6.38364 10.9956 5.49061 6.89209 14.8374 12.859 9.85095 8.05352 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.13983 5.63648 6.38364 10.9956 5.49061 6.89209 11.4667 11.7361 6.83016 8.5032 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 6.45858 4.05028 6.38364 9.63512 5.49061 6.89209 13.8729 12.859 9.85095 8.05352 numMergedOcc 0
4 mol 14 unq 3 iso 0 dist 6.45858 4.05028 6.38364 9.63512 5.49061 6.89209 10.7546 11.7361 6.83016 8.5032 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.0563 5.90113 9.17086 10.7603 10.0804 5.39546 7.62469 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 5.97635 13.2619 8.10861 8.34361 5.65405 6.54183 14.1632 9.89662 5.58127 6.29755 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 5.97635 13.2619 8.10861 8.34361 5.65405 6.54183 15.4599 11.7963 5.54544 7.4038 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 9.00229 10.1484 8.95999 14.9219 8.50779 7.98444 12.9552 9.75265 5.03467 8.88969 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 11.5166 5.46309 9.70415 15.847 12.841 16.1373 7.77128 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 11.5166 11.9897 9.70415 15.847 18.5951 16.1373 7.77128 numMergedOcc 0
11 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 14.542 11.9897 9.70415 20.9226 18.5951 16.1373 7.77128 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 4.98864 6.59772 6.11741 5.87592 5.19652 8.97043 4.64507 9.54842 10.1455 9.47253 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 7.95871 4.86477 6.11741 8.37388 5.19652 8.97043 6.90898 9.54842 10.1455 9.47253 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 10.6754 5.50061 6.24392 6.76276 10.2273 4.7848 9.63161 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 12.7607 12.3624 9.33945 19.7811 19.6719 14.651 9.14809 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.31125 5.6098 8.40312 12.7607 12.3624 9.33945 11.4305 14.1255 7.47571 6.45169 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 13.0602 5.65373 8.8557 16.1558 11.2048 11.8327 6.86281 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 8.6537 10.7439 7.03423 13.0602 5.65373 5.00457 16.1558 11.2048 6.36273 6.86281 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 5.73834 7.52881 6.42289 6.41167 5.13233 8.21585 5.66907 9.04358 5.90131 8.73425 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 6.41167 5.13233 8.21585 9.6053 10.0455 4.51422 9.65711 numMergedOcc 0
