0 mol 10 unq 0 iso 0 dist 8.50323 5.37078 9.94087 6.20404 3.72013 9.25382 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.03881 4.69936 9.88728 8.6783 9.88933 6.51139 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 4.44406 11.3388 7.32236 8.60396 6.90686 9.76585 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 8.68377 4.27712 6.05264 11.4952 3.82548 7.94701 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 6.63089 6.44336 6.05264 10.2938 3.82548 7.94701 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 5.53721 12.7823 8.76341 14.6055 9.46843 8.17814 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 5.53721 12.7823 8.76341 21.4802 17.1586 9.14434 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.3093 6.02176 5.07226 10.9046 6.3489 9.73865 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.3093 6.02176 5.07226 6.65051 4.49133 8.52591 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 8.43607 5.44444 5.07226 14.0653 6.3489 9.73865 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 8.43607 5.44444 5.07226 9.41519 4.49133 8.52591 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 4.58432 13.0972 9.17101 17.6493 13.2207 9.66811 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 9.86323 11.624 7.67418 14.686 7.2995 7.52779 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 8.89002 5.53565 9.96942 8.00278 16.1506 7.3055 numMergedOcc 0
14 mol 268 unq 0 iso 0 dist 8.04119 10.2436 7.79813 9.7384 4.29831 6.62669 numMergedOcc 0
15 mol 268 unq 1 iso 0 dist 8.04119 4.84665 9.54291 9.7384 4.29831 9.73984 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 8.90491 4.15537 8.82519 11.0013 12.0174 9.16172 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 8.27165 14.765 9.82863 20.0585 13.3799 6.19545 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 8.0077 14.4188 9.82863 16.0484 13.3799 6.19545 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.27165 14.765 9.82863 20.0585 13.3799 6.19545 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 8.0077 14.4188 9.82863 16.0484 13.3799 6.19545 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.27165 14.765 9.82863 20.0585 13.3799 6.19545 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 8.0077 14.4188 9.82863 16.0484 13.3799 6.19545 numMergedOcc 0
