0 mol 26 unq 0 iso 0 dist 9.15677 5.03531 6.33493 16.4682 8.34347 14.6069 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 10.6355 9.5589 14.4964 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 7.51978 7.18148 13.8618 6.43082 6.83299 10.2546 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 7.51978 7.18148 13.8618 11.7347 8.10861 18.5391 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.67586 8.90147 9.60641 5.03832 6.85766 12.3441 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 7.67586 8.90147 9.60641 11.7065 7.71095 16.1068 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.22406 6.51132 10.2467 5.41023 9.64443 8.85601 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.22406 8.38986 9.31447 5.41023 9.64443 10.6199 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.05043 9.64287 4.23405 6.40193 7.27724 11.0573 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.72463 7.99127 6.75249 14.0766 5.99315 8.64905 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 6.64164 9.5648 12.8624 5.361 9.87651 5.36671 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 6.31492 8.43599 11.1685 7.48422 9.31746 13.7148 numMergedOcc 0
12 mol 182 unq 1 iso 0 dist 7.8621 7.01577 6.1548 6.98787 9.31746 11.7531 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.05666 8.42665 12.1342 5.64431 5.59424 11.4498 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 9.05666 8.42665 12.1342 10.8223 7.00794 16.9653 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.92766 7.8518 6.49075 14.0488 7.10633 12.9966 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 7.92766 7.8518 6.49075 7.58285 8.51516 13.0232 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 8.3035 6.03628 4.15355 6.23589 8.82096 9.06459 numMergedOcc 0
18 mol 214 unq 1 iso 0 dist 9.01896 7.81831 7.79075 7.3913 8.82096 12.1684 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.80166 9.59909 14.2741 6.77788 5.72887 15.8637 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 6.42827 6.32658 10.3504 8.22485 7.57994 14.0808 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 6.42827 6.32658 10.3504 6.77698 6.18582 12.9043 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 9.0081 9.02271 17.1121 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 5.25115 8.4218 10.2644 numMergedOcc 0
24 mol 265 unq 1 iso 0 dist 4.96568 7.71301 7.71667 5.25115 8.4218 5.7944 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 7.11272 9.97709 9.89329 5.75852 6.87396 12.1756 numMergedOcc 0
