0 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 8.75346 9.67164 13.156 11.9621 12.2041 12.2333 5.99459 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.4754 7.06064 9.62879 4.67793 9.01112 7.12261 10.2567 10.9495 10.9634 6.56356 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.4754 7.06064 9.62879 4.67793 9.01112 7.12261 7.3795 6.23795 12.4058 7.62333 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 6.57999 7.35767 9.62879 11.5556 9.01112 7.12261 13.8619 10.9495 10.9634 6.56356 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 6.57999 7.35767 9.62879 11.5556 9.01112 7.12261 12.3088 6.23795 12.4058 7.62333 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 6.28033 5.40044 4.7319 6.64634 7.65889 6.86055 12.3978 10.2656 11.0958 6.42835 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 4.9903 6.6263 5.41726 10.615 8.13395 6.20293 6.75943 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 8.89611 7.12321 4.27726 10.1695 5.36766 12.8385 9.74228 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.68311 8.1124 8.8178 8.89611 7.12321 4.27726 10.1663 8.24309 9.84449 6.21799 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 6.68311 15.0607 9.96708 8.89611 7.12321 7.47371 10.1695 5.36766 10.8086 9.74228 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 6.68311 15.0607 9.96708 8.89611 7.12321 7.47371 10.1663 8.24309 9.78528 6.21799 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 15.2252 7.4369 5.70116 10.1112 5.4148 9.96396 9.73086 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 6.52486 5.5087 11.2069 10.8051 8.07446 16.0098 5.61588 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 10.9731 6.08682 10.6713 10.8051 8.07446 16.0098 7.83244 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 8.27015 12.6626 8.70481 13.0059 5.5087 11.2069 13.7608 8.07446 16.0098 5.61588 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 14.1533 6.08682 10.6713 13.7608 8.07446 16.0098 7.83244 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.22596 5.11615 8.87449 13.0711 9.21662 9.39125 17.8768 10.8375 16.1937 8.91882 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 7.51061 5.29855 7.34473 11.231 7.86666 13.0886 18.2456 17.2949 21.5605 9.77497 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.34308 6.39384 6.63111 12.9647 7.69052 5.83991 9.42082 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 7.34308 6.39384 6.07067 12.9647 7.69052 7.88312 9.42082 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 12.6962 7.64052 9.68677 17.5132 9.93257 16.4353 8.95212 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 12.6962 7.64052 9.68677 11.5266 4.85907 10.3704 6.99446 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 5.37122 8.26547 5.03174 8.43069 5.61668 10.2995 9.05342 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.79004 7.33132 8.22656 5.37122 8.26547 4.88025 8.43069 5.61668 6.82262 9.05342 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 8.43069 7.33132 6.82262 5.37122 9.05342 4.88025 9.79004 5.61668 8.22656 8.26547 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.487 7.93372 8.06642 16.7211 10.7144 11.7385 9.66543 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 12.487 7.93372 8.06642 12.3933 5.49782 8.94367 7.21868 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 12.487 7.93372 4.00092 16.7211 10.7144 11.3835 9.66543 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.27598 12.0971 9.71307 12.487 7.93372 4.00092 12.3933 5.49782 9.86662 7.21868 numMergedOcc 0
29 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 9.15345 6.14151 4.67662 10.9228 5.32922 9.2313 7.81207 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 9.15345 6.14151 5.81599 10.9228 5.32922 7.73169 7.81207 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.9701 9.76212 12.9532 6.58792 6.01247 9.94371 8.59874 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 11.9701 9.76212 6.50233 6.58792 6.01247 10.9639 8.59874 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 12.0857 5.22356 8.65997 6.91318 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 5.19262 5.23634 5.83175 12.0857 5.22356 10.8157 6.91318 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 7.64276 7.45873 7.31233 4.48114 9.12776 10.3162 13.6759 15.7907 19.5656 9.72188 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 6.83046 4.77446 6.16342 8.15025 6.73665 10.6736 14.2656 11.347 16.5158 9.34438 numMergedOcc 0
37 mol 239 unq 1 iso 0 dist 6.83046 4.77446 6.16342 8.15025 6.73665 10.6736 14.3531 7.97994 13.7154 9.35949 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 6.8902 12.3593 9.17653 9.58347 8.29262 10.7813 9.5903 4.92077 13.4025 9.19754 numMergedOcc 0
