0 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 15.388 10.9516 8.60571 12.1294 5.53425 9.7022 7.12085 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.0208 10.5465 9.58196 15.388 10.9516 8.60571 9.64431 4.53725 9.04767 11.3111 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 7.28563 12.3645 9.58196 17.2791 10.9516 8.60571 12.5485 5.53425 9.7022 7.12085 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 7.28563 12.3645 9.58196 17.2791 10.9516 8.60571 8.51112 4.53725 9.04767 11.3111 numMergedOcc 0
4 mol 14 unq 4 iso 0 dist 8.51112 12.3645 9.04767 17.2791 11.3111 8.60571 12.5485 5.67201 9.7022 7.12085 numMergedOcc 0
5 mol 14 unq 5 iso 0 dist 8.51112 12.3645 9.04767 17.2791 11.3111 8.60571 7.28563 4.53725 9.58196 10.9516 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 4.69247 5.29763 6.56728 11.7388 6.87425 7.47541 11.609 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.59073 4.53858 5.73196 4.69247 5.29763 6.56728 11.7649 10.1164 7.66905 13.5384 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.88504 4.12027 9.01083 13.6959 15.0368 9.72688 11.0821 8.18643 7.88289 9.68673 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 15.713 11.8721 8.97043 11.7895 8.02349 6.11741 5.19652 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 10.7189 8.12649 7.0318 12.6233 13.1058 7.90328 5.21051 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 10.2237 6.65856 6.23966 14.4108 9.05135 9.61051 5.16275 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 11.981 5.114 8.90247 17.347 13.2049 8.03334 14.0828 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 18.989 14.1073 9.73411 11.7326 4.70378 6.57273 9.81806 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 18.989 14.1073 9.73411 14.3448 11.5372 5.78342 5.99647 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 9.61379 9.57016 8.95269 11.9775 11.8217 7.07564 11.7326 4.70378 6.57273 10.8463 numMergedOcc 0
16 mol 224 unq 3 iso 0 dist 9.61379 9.57016 8.95269 11.9775 11.8217 7.07564 14.3448 11.5372 5.78342 5.44863 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 8.52933 10.568 9.06952 10.57 6.23084 5.00457 13.4598 6.84129 7.03423 5.65373 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 10.3662 6.50871 8.9706 11.1218 7.26417 6.60405 5.70285 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 10.7382 9.27298 8.17205 10.2299 10.0727 8.02547 10.3933 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 6.85589 4.31412 8.43057 10.7382 9.27298 8.17205 6.68878 4.63549 6.05727 7.8624 numMergedOcc 0
21 mol 261 unq 2 iso 0 dist 6.68878 4.31412 6.05727 10.7382 7.8624 8.17205 10.2299 5.51688 8.02547 10.3933 numMergedOcc 0
22 mol 261 unq 3 iso 0 dist 6.68878 4.31412 6.05727 10.7382 7.8624 8.17205 6.85589 4.63549 8.43057 9.27298 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 13.7828 8.30978 8.80588 14.0039 5.51836 6.0664 5.80223 numMergedOcc 0
