0 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.0268 8.09311 11.6226 8.45916 4.79736 12.3058 7.77964 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.20058 14.9411 8.38394 12.0268 8.09311 6.17155 8.45916 4.79736 10.6772 7.77964 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 4.9903 6.6263 5.41726 13.0289 10.8828 10.0168 8.34145 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.96238 7.43826 8.66265 12.9131 9.03564 6.75591 15.7801 9.96534 13.2483 8.77529 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.16299 10.3774 8.70481 6.52486 5.5087 11.2069 12.2244 6.41115 15.0347 8.46627 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 10.9731 6.08682 10.6713 12.2244 6.41115 15.0347 9.22208 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.27015 12.6626 8.70481 13.0059 5.5087 11.2069 9.05302 6.41115 15.0347 8.46627 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.27015 12.6626 8.70481 14.1533 6.08682 10.6713 9.05302 6.41115 15.0347 9.22208 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 10.5361 7.07971 4.69373 13.0202 5.00433 8.52024 9.09348 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.34308 6.39384 6.63111 13.829 6.95773 6.24825 7.65564 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 7.34308 6.39384 6.07067 13.829 6.95773 10.0255 7.65564 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 5.37122 8.26547 5.03174 4.79003 6.9945 10.4642 7.48208 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.79004 7.33132 8.22656 5.37122 8.26547 4.88025 4.79003 6.9945 7.22643 7.48208 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 8.43069 7.33132 6.82262 5.37122 9.05342 4.88025 4.79003 4.19723 7.22643 7.48208 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.487 7.93372 8.06642 15.3301 10.8635 9.33094 8.62504 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 12.487 7.93372 4.00092 15.3301 10.8635 8.69531 8.62504 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 12.088 4.664 11.595 8.85955 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 10.4038 4.1511 9.91384 6.09335 numMergedOcc 0
18 mol 227 unq 2 iso 0 dist 9.60159 6.38287 7.09863 5.19262 5.23634 5.83175 12.088 4.664 10.1802 8.85955 numMergedOcc 0
19 mol 227 unq 3 iso 0 dist 9.60159 6.38287 7.09863 5.19262 5.23634 5.83175 10.4038 4.1511 10.3016 6.09335 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.64276 7.45873 7.31233 4.48114 9.12776 10.3162 5.41453 5.71717 10.1172 4.66186 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 6.8902 12.3593 9.17653 9.58347 8.29262 10.7813 11.1879 13.2035 19.5824 9.78237 numMergedOcc 0
