0 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 8.13395 10.5523 6.6263 5.07458 6.66407 8.34145 10.8828 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.80331 6.6263 5.41726 8.13395 6.20293 6.75943 10.8828 10.0168 8.34145 5.07458 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 6.20293 6.75943 5.41726 8.13395 8.80331 6.6263 5.07458 10.0168 8.34145 10.8828 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.93915 6.75943 10.0383 8.13395 14.7803 6.6263 5.07458 10.9975 8.34145 10.8828 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 8.07446 16.0098 5.61588 6.41115 15.0347 8.46627 5.9144 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.70481 6.08682 10.6713 8.07446 16.0098 7.83244 6.41115 15.0347 9.22208 5.9144 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.69985 8.52024 5.00433 7.15843 13.1098 9.89083 4.69373 7.07971 9.09348 10.9531 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 7.69052 13.8473 6.39384 6.01673 13.22 7.65564 6.95773 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 9.33865 6.39384 6.63111 7.69052 5.83991 9.42082 6.95773 6.24825 7.65564 6.01673 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 5.83991 9.42082 6.63111 7.69052 9.33865 6.39384 6.01673 6.24825 7.65564 6.95773 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 6.11741 6.39384 6.07067 7.69052 7.88312 9.42082 6.95773 10.0255 7.65564 6.01673 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 7.88312 9.42082 6.07067 7.69052 6.11741 6.39384 6.01673 10.0255 7.65564 6.95773 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.24514 8.26547 5.03174 5.61668 10.2995 9.05342 6.9945 10.4642 7.48208 4.19723 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.22656 8.26547 4.88025 5.61668 6.82262 9.05342 6.9945 7.22643 7.48208 4.19723 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 6.82262 9.05342 4.88025 5.61668 8.22656 8.26547 4.19723 7.22643 7.48208 6.9945 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.62899 11.7385 9.66543 7.41373 9.33094 8.62504 4.46337 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.94367 7.21868 8.06642 5.49782 6.37586 7.93372 7.41373 9.33094 8.62504 10.8635 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.94367 9.33094 7.41373 6.81259 9.86662 8.69531 8.06642 7.21868 8.62504 4.00092 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 6.37586 7.93372 8.06642 10.7144 11.7385 9.66543 10.8635 9.33094 8.62504 4.46337 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 6.37586 7.93372 8.06642 5.49782 8.94367 7.21868 10.8635 9.33094 8.62504 7.41373 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 6.37586 9.33094 10.8635 6.81259 9.71307 8.69531 8.06642 7.93372 8.62504 4.00092 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 6.49416 9.33094 12.3479 6.81259 12.5075 8.69531 8.06642 11.988 8.62504 4.00092 numMergedOcc 0
22 mol 134 unq 7 iso 0 dist 9.86662 7.21868 4.00092 5.62899 11.3835 9.66543 7.41373 8.69531 8.62504 4.46337 numMergedOcc 0
23 mol 134 unq 8 iso 0 dist 9.86662 7.21868 4.00092 5.49782 9.71307 7.93372 7.41373 8.69531 8.62504 10.8635 numMergedOcc 0
24 mol 134 unq 9 iso 0 dist 9.86662 8.69531 7.41373 6.81259 8.94367 9.33094 4.00092 7.21868 8.62504 8.06642 numMergedOcc 0
25 mol 134 unq 10 iso 0 dist 9.71307 7.93372 4.00092 10.7144 11.3835 9.66543 10.8635 8.69531 8.62504 4.46337 numMergedOcc 0
26 mol 134 unq 11 iso 0 dist 9.71307 7.93372 4.00092 5.49782 9.86662 7.21868 10.8635 8.69531 8.62504 7.41373 numMergedOcc 0
27 mol 134 unq 12 iso 0 dist 9.71307 8.69531 10.8635 6.81259 6.37586 9.33094 4.00092 7.93372 8.62504 8.06642 numMergedOcc 0
28 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 8.56034 12.8281 9.08274 5.7304 10.7199 8.75024 6.86812 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 7.81386 9.01624 5.71898 11.5866 9.81747 5.05973 5.42158 9.81178 9.92831 10.0773 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 7.63312 9.01624 5.93724 11.5866 9.11469 5.05973 5.42158 10.6106 9.92831 10.0773 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 7.54065 6.61112 11.0961 7.09479 14.4482 8.90571 10.8286 17.8564 8.5672 5.75483 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 4.664 11.595 8.85955 8.49509 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 4.1511 9.91384 6.09335 4.69247 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 8.49509 11.595 8.85955 4.664 numMergedOcc 0
35 mol 227 unq 3 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 4.69247 9.91384 6.09335 4.1511 numMergedOcc 0
36 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 4.664 10.1802 8.85955 8.49509 numMergedOcc 0
37 mol 227 unq 5 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 4.1511 10.3016 6.09335 4.69247 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 15.7907 14.6111 9.12776 10.4706 8.923 4.66186 5.71717 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 15.7907 19.5656 9.72188 5.71717 10.1172 4.66186 10.4706 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 4.92077 13.4025 9.19754 13.2035 19.5824 9.78237 11.4167 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 11.8268 21.4606 9.57499 3.97543 12.1398 7.16209 11.2997 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 7.08227 16.3537 5.46926 3.97543 12.1398 7.16209 4.40029 numMergedOcc 0
43 mol 277 unq 2 iso 0 dist 9.7748 6.92711 14.772 7.08227 16.3537 5.13913 3.97543 12.1398 4.62936 4.40029 numMergedOcc 0
