0 mol 7 unq 0 iso 0 dist 8.23909 13.7145 6.02702 15.861 11.8172 8.72114 10.4925 6.55304 6.14469 6.34041 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.85726 5.25379 6.7985 12.9476 9.0379 9.68596 10.4728 8.43473 6.14469 5.03847 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.72215 6.11915 6.02702 12.8863 11.8172 8.72114 8.02892 6.55304 6.14469 6.34041 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 22.8598 14.6259 8.4051 16.7308 14.012 6.72323 12.176 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 10.6042 10.0952 7.29868 16.7308 14.012 6.72323 6.66749 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.86724 5.97684 5.9465 10.6665 5.04493 6.97962 12.2742 8.70803 6.77241 8.87994 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.86724 5.97684 5.9465 10.6665 5.04493 6.97962 8.66742 9.52327 5.50508 11.641 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.86724 5.97684 5.9465 12.4378 9.35561 9.95342 12.2742 8.70803 6.77241 7.52639 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 7.86724 5.97684 5.9465 12.4378 9.35561 9.95342 8.66742 9.52327 5.50508 7.34683 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.59261 5.24592 5.78706 11.7102 7.51619 7.23884 4.96613 11.3905 7.14031 14.2646 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.59261 5.24592 5.78706 6.67936 10.6225 5.59328 4.96613 11.3905 7.14031 4.67519 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 9.59261 5.24592 5.78706 8.25817 12.7411 7.5242 4.96613 11.3905 7.14031 10.4027 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 6.67936 5.24592 5.59328 9.59261 10.6225 5.78706 4.96613 4.67519 7.14031 11.3905 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 6.67936 5.24592 5.59328 11.7102 11.4338 7.23884 4.96613 4.67519 7.14031 14.2646 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 6.67936 5.24592 5.59328 8.25817 7.72877 7.5242 4.96613 4.67519 7.14031 10.4027 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 8.25817 5.24592 7.5242 9.59261 12.7411 5.78706 4.96613 10.4027 7.14031 11.3905 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 8.25817 5.24592 7.5242 11.7102 9.30161 7.23884 4.96613 10.4027 7.14031 14.2646 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 8.25817 5.24592 7.5242 6.67936 7.72877 5.59328 4.96613 10.4027 7.14031 4.67519 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 8.84867 11.7281 7.73435 13.8831 5.20403 8.76789 16.0723 9.20086 6.11502 6.40824 numMergedOcc 0
19 mol 125 unq 1 iso 0 dist 8.84867 14.8614 9.3778 13.8831 5.20403 9.08382 16.0723 9.20086 6.33431 6.40824 numMergedOcc 0
20 mol 125 unq 2 iso 0 dist 8.84867 14.8614 9.3778 19.5018 11.8325 7.47069 16.0723 9.20086 6.33431 9.44075 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 6.11955 4.7146 5.87634 10.4171 7.81217 6.16242 11.0798 14.8102 8.95662 12.131 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.78849 4.15314 5.83771 11.4625 5.79898 7.80532 9.46933 4.60632 6.40575 5.71679 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 6.76923 9.91514 6.86319 15.6936 10.2747 6.70531 15.7716 10.645 7.21349 4.54749 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 9.5723 7.93097 6.11704 14.3079 5.16662 8.80683 10.7136 7.554 5.70795 7.92585 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 10.7398 8.31875 6.21292 12.6417 5.5163 6.94789 7.77516 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 9.71281 6.18998 6.36341 11.491 10.5547 9.21736 12.6417 5.5163 6.94789 11.7254 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 7.29898 10.4369 5.48118 11.0836 5.3927 7.25858 14.9674 9.0676 5.9627 6.56117 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 8.91685 13.4788 5.48118 13.0753 5.3927 7.25858 17.8805 9.0676 5.9627 6.56117 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 8.90885 5.06747 8.83865 9.96963 5.96724 9.18157 12.1498 12.0136 7.16346 12.1851 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 7.89852 5.62662 9.18157 10.8195 5.96724 8.83865 10.6456 12.1851 7.16346 12.0136 numMergedOcc 0
31 mol 273 unq 2 iso 0 dist 9.96963 5.06747 9.18157 8.90885 5.96724 8.83865 12.1498 12.1851 7.16346 12.0136 numMergedOcc 0
