0 mol 54 unq 0 iso 0 dist 7.89001 7.05787 7.54869 9.90537 11.9881 4.54652 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.89001 7.05787 7.54869 14.1947 13.9079 7.42848 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.46313 6.15997 9.532 13.4808 10.1513 8.88571 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.17291 8.32084 9.19402 8.99189 5.31439 7.76963 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.81569 7.3009 9.19402 8.94097 5.31439 7.76963 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 6.37427 5.09739 5.05103 5.77755 5.81666 6.60101 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 6.37427 5.09739 5.05103 11.6284 5.56084 8.83712 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 6.37427 5.09739 5.05103 11.3149 6.98664 6.60885 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.85025 11.4126 6.2109 12.7106 11.8155 9.40268 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 9.11046 8.59701 5.7191 13.0033 5.90364 8.64606 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.20985 5.63677 5.39213 13.9132 10.591 9.09931 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 7.69466 7.09954 5.39213 12.8423 10.591 9.09931 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 9.29791 11.7722 9.99721 18.3837 13.6059 7.42532 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 7.18765 14.9572 9.24777 12.4142 10.913 9.71675 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 7.18765 14.9572 9.24777 15.8386 8.69245 8.67145 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 6.42437 5.29564 8.73296 10.9019 10.1367 6.89822 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 8.62414 15.2329 8.8437 17.9224 9.40662 9.81682 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 6.45955 5.84798 9.13171 7.64578 5.25596 6.54658 numMergedOcc 0
18 mol 294 unq 1 iso 0 dist 6.45955 5.84798 9.13171 6.28096 9.87129 9.35351 numMergedOcc 0
19 mol 294 unq 2 iso 0 dist 5.71661 6.63549 9.13171 5.85292 5.25596 6.54658 numMergedOcc 0
20 mol 294 unq 3 iso 0 dist 5.71661 6.63549 9.13171 10.0095 9.87129 9.35351 numMergedOcc 0
21 mol 294 unq 4 iso 0 dist 8.86937 5.84798 8.84627 7.64578 5.28447 6.54658 numMergedOcc 0
22 mol 294 unq 5 iso 0 dist 8.86937 5.84798 8.84627 6.28096 10.5605 9.35351 numMergedOcc 0
23 mol 294 unq 6 iso 0 dist 8.98536 6.63549 8.84627 5.85292 5.28447 6.54658 numMergedOcc 0
24 mol 294 unq 7 iso 0 dist 8.98536 6.63549 8.84627 10.0095 10.5605 9.35351 numMergedOcc 0
