0 mol 7 unq 0 iso 0 dist 6.64582 6.3027 6.81066 13.8674 10.6 8.41585 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.3716 9.00459 7.38017 14.995 10.6533 8.57077 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.14324 6.6796 9.89546 13.3486 14.0634 8.80331 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.97844 12.2338 9.07906 15.7633 8.42544 5.73819 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.97844 12.2338 9.07906 12.5893 6.09486 6.20293 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 9.97844 12.2338 9.07906 13.8701 4.40385 8.93915 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.51096 14.0947 8.41018 20.4286 15.2053 9.5589 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 6.36945 9.96073 7.77255 14.8574 9.10809 8.33063 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 6.36945 9.96073 7.77255 5.83937 4.32336 6.43294 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 6.36945 9.96073 7.77255 11.1212 6.67875 8.7531 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.00779 6.71593 5.62694 14.6361 10.169 8.70481 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.54915 13.8798 8.77199 10.7029 5.46695 7.97049 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.54915 13.8798 8.77199 14.7997 11.3211 7.47541 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 7.54915 15.5426 8.81824 12.3148 6.62562 7.95579 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 7.54915 15.5426 8.81824 10.7029 5.46695 6.19965 numMergedOcc 0
15 mol 85 unq 4 iso 0 dist 7.54915 15.5426 8.81824 14.7997 11.3211 7.66905 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 9.5771 8.88286 8.69749 15.7605 14.2706 7.27724 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 8.60452 8.88286 5.96576 15.7605 11.0946 7.27724 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 7.33646 13.5588 8.82676 12.8962 6.3084 8.14887 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 7.33646 13.5588 8.82676 17.4599 12.4721 9.30299 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 6.5546 4.93539 9.18589 10.9041 10.3659 8.41436 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 6.5546 4.93539 9.18589 11.598 10.4355 8.92474 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 9.91722 5.46654 7.27415 11.1515 5.40456 6.18582 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 8.90411 12.1558 8.48407 16.3739 14.5632 6.24356 numMergedOcc 0
