0 mol 12 unq 0 iso 0 dist 5.44478 5.70264 8.15864 8.59097 10.1259 6.6051 10.052 12.2342 4.86727 5.9021 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.44478 5.70264 8.15864 8.59097 10.1259 6.6051 8.19697 12.3593 10.763 8.98466 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.0009 6.74022 8.52643 8.91298 5.76037 5.41357 4.39847 7.8986 7.05519 7.24183 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.0009 5.42653 9.75299 8.91298 5.76037 9.30042 4.39847 7.8986 8.49962 7.24183 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 8.91298 6.74022 5.41357 8.0009 5.76037 8.52643 4.39847 7.24183 7.05519 7.8986 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 8.91298 5.42653 9.30042 8.0009 5.76037 9.75299 4.39847 7.24183 8.49962 7.8986 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 5.72494 5.40051 7.66418 8.70106 6.73664 8.078 11.4822 13.0426 8.96379 7.81042 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 4.46578 10.008 8.76088 12.1805 9.34083 5.79195 14.4062 12.8985 5.35551 9.07294 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 4.46578 10.008 8.76088 13.3116 11.2107 9.2759 10.4794 9.428 10.8516 5.12189 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 4.46578 10.008 8.76088 13.3116 11.2107 9.2759 14.4062 12.8985 5.35551 7.50126 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 8.60157 6.76353 8.6953 6.72591 10.8037 9.18753 7.50382 16.0883 11.8278 9.71692 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 8.59359 6.65519 8.65967 6.80192 10.8647 9.15244 7.48524 16.0617 11.6537 9.73708 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 9.71306 7.19635 9.95686 9.07003 8.91303 7.54658 6.58275 5.11059 4.92169 7.04604 numMergedOcc 0
13 mol 189 unq 1 iso 0 dist 9.20296 8.18227 6.38294 9.71306 8.74557 9.47321 6.58275 10.0857 8.03657 5.11059 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 5.2376 7.16053 6.80214 12.476 12.1405 8.57174 14.752 14.4096 14.3078 7.86207 numMergedOcc 0
15 mol 245 unq 0 iso 0 dist 7.1207 7.10254 7.95061 16.5964 15.2703 9.5096 9.91587 12.0339 4.20594 8.26223 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 6.15396 5.668 5.00258 9.18964 5.92133 8.22117 5.46739 8.61456 9.80233 8.41041 numMergedOcc 0
17 mol 282 unq 1 iso 0 dist 6.15396 8.54733 9.98886 9.18964 5.92133 6.81887 5.46739 8.61456 4.68809 8.41041 numMergedOcc 0
18 mol 282 unq 2 iso 0 dist 9.18964 5.668 8.22117 6.15396 5.92133 5.00258 5.46739 8.41041 9.80233 8.61456 numMergedOcc 0
19 mol 282 unq 3 iso 0 dist 9.18964 8.54733 6.81887 6.15396 5.92133 9.98886 5.46739 8.41041 4.68809 8.61456 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 6.89455 9.33643 9.28067 9.82337 7.89565 5.71075 14.0912 12.6739 4.87508 8.3815 numMergedOcc 0
21 mol 283 unq 1 iso 0 dist 6.89455 9.33643 9.28067 9.82337 7.89565 5.71075 10.1502 12.7264 7.75306 7.13925 numMergedOcc 0
22 mol 283 unq 2 iso 0 dist 8.07626 6.76599 9.28067 6.3448 7.89565 5.71075 11.5049 12.6739 4.87508 8.3815 numMergedOcc 0
23 mol 283 unq 3 iso 0 dist 8.07626 6.76599 9.28067 6.3448 7.89565 5.71075 5.47552 12.7264 7.75306 7.13925 numMergedOcc 0
24 mol 293 unq 0 iso 0 dist 6.02106 6.26633 7.41524 10.3468 8.71249 4.72125 11.8152 12.8233 8.14268 8.8788 numMergedOcc 0
25 mol 293 unq 1 iso 0 dist 6.02106 6.26633 7.41524 8.27274 5.34794 6.42608 11.8152 12.8233 8.14268 8.42712 numMergedOcc 0
26 mol 293 unq 2 iso 0 dist 8.27274 6.26633 6.42608 10.3468 6.3489 4.72125 11.8152 8.42712 8.14268 8.8788 numMergedOcc 0
