0 mol 24 unq 0 iso 0 dist 9.7649 14.2346 7.18124 15.5956 6.0925 6.47026 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 11.9263 7.18124 12.6101 6.0925 6.47026 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.10496 9.85109 8.56807 12.7392 6.09772 9.13786 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 4.95504 6.17229 5.70283 9.64621 5.45312 7.15043 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 4.95504 8.36931 7.16741 9.64621 5.45312 5.86142 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.27814 7.18472 7.67463 10.0423 16.5258 9.43843 numMergedOcc 0
6 mol 176 unq 0 iso 0 dist 8.00223 5.73429 5.58647 9.74525 3.17744 5.60333 numMergedOcc 0
7 mol 176 unq 1 iso 0 dist 8.00223 5.73429 5.58647 9.60695 4.75543 8.5733 numMergedOcc 0
8 mol 176 unq 2 iso 0 dist 9.60695 5.73429 8.5733 9.74525 5.47761 5.60333 numMergedOcc 0
9 mol 176 unq 3 iso 0 dist 9.60695 5.73429 8.5733 8.00223 4.75543 5.58647 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 6.3472 4.4872 6.53017 12.6017 9.42585 8.83695 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.42696 7.88594 8.04472 8.73302 9.91264 5.62851 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 8.73302 7.88594 5.62851 7.42696 9.91264 8.04472 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 5.2116 7.95139 8.63893 16.5161 15.1028 9.84342 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 7.94753 7.97424 6.56151 13.5189 7.17324 7.09397 numMergedOcc 0
15 mol 254 unq 1 iso 0 dist 7.94753 7.97424 6.56151 9.99046 2.67738 8.3417 numMergedOcc 0
16 mol 254 unq 2 iso 0 dist 9.99046 7.97424 8.3417 13.5189 7.48499 7.09397 numMergedOcc 0
17 mol 254 unq 3 iso 0 dist 9.99046 7.97424 8.3417 7.94753 2.67738 6.56151 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.43884 5.7413 7.24165 9.82944 3.00605 8.53393 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 9.82274 14.2357 9.90494 16.5188 13.4236 9.74797 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 7.17276 8.40497 9.90494 13.3954 13.4236 9.74797 numMergedOcc 0
