0 mol 28 unq 0 iso 0 dist 8.79638 5.61871 8.53424 14.2555 11.9912 8.96154 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.79638 7.3517 7.08766 14.2555 11.9912 8.90935 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.82759 12.7911 8.53424 20.1863 13.6544 8.47637 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 6.42785 9.02992 8.53424 14.7666 11.9912 8.96154 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 6.42785 6.51048 7.08766 14.7666 11.9912 8.90935 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.75809 13.5265 8.53424 17.6815 11.9912 8.96154 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 5.75809 12.1819 7.08766 17.6815 11.9912 8.90935 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.18651 7.17611 9.13228 15.1003 9.7326 9.58748 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 4.45433 5.80317 8.61143 12.56 12.2898 8.70827 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 4.45433 5.80317 8.61143 14.8051 16.1736 9.86479 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 8.69371 9.16288 9.34782 14.0997 12.2767 7.24101 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.0237 4.58282 6.55227 7.08664 4.89202 7.39112 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.41675 4.86046 7.53342 12.4837 4.86495 9.8911 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.41675 4.86046 7.53342 7.72803 3.38209 7.02043 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.57472 9.45125 4.88514 10.0959 11.8161 8.56285 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 7.43045 5.76787 5.60448 13.2349 8.99049 7.70581 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 9.95907 6.27598 6.85902 6.50723 5.64063 5.58647 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 4.20369 5.76999 7.04263 9.16717 7.79959 9.68243 numMergedOcc 0
18 mol 268 unq 0 iso 0 dist 5.01283 7.56592 9.52476 6.93264 6.58875 6.38058 numMergedOcc 0
19 mol 268 unq 1 iso 0 dist 5.01283 7.56592 9.52476 10.4601 9.70591 9.5334 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 6.61811 7.60413 5.6964 13.423 8.65336 8.82497 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 9.57637 11.8739 4.68668 14.5649 7.67746 9.97939 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 9.57637 11.8739 4.68668 14.5649 7.67746 9.97939 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 9.57637 11.8739 4.68668 14.5649 7.67746 9.97939 numMergedOcc 0
