0 mol 16 unq 0 iso 0 dist 6.61114 6.50294 4.86568 10.0644 5.64581 6.29703 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.32791 5.28404 4.7319 5.59641 5.59769 8.47315 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.89001 12.2366 9.5589 9.90537 11.9881 6.59893 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 7.89001 12.2366 9.5589 14.1947 13.9079 5.59773 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.46313 9.46304 6.72123 18.3123 11.5608 9.62468 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 8.46313 9.46304 6.72123 13.4808 10.1513 5.92705 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 7.42893 5.81947 6.57035 5.58941 5.16122 8.77773 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 5.79411 6.03768 7.36792 11.6983 8.17186 9.10229 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.61066 6.06993 4.99221 11.6817 5.889 6.86946 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 21.9621 14.3476 7.70533 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.45717 4.28997 6.82262 9.63478 11.1611 9.4473 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 7.85025 11.5948 6.80239 13.8387 7.96098 6.11955 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 15.9036 13.1936 7.57458 numMergedOcc 0
13 mol 180 unq 0 iso 0 dist 7.24785 14.0966 9.62337 16.4529 9.76368 8.44989 numMergedOcc 0
14 mol 180 unq 1 iso 0 dist 7.53287 14.0344 9.62337 16.9476 9.76368 8.44989 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 6.32172 11.6953 9.31746 11.3354 5.40949 7.86625 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.05754 15.9524 9.23153 13.2343 4.90657 9.8711 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 9.68636 10.705 8.22528 15.883 11.9226 9.84492 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 8.58958 14.7629 6.56247 11.1153 4.74041 5.89084 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 8.58958 13.5847 9.36357 11.1153 4.74041 8.47009 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 9.70004 14.3229 6.56247 14.2539 4.74041 5.89084 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 9.70004 17.5883 9.36357 14.2539 4.74041 8.47009 numMergedOcc 0
22 mol 234 unq 4 iso 0 dist 7.17987 14.7629 9.45496 11.1153 6.16697 5.89084 numMergedOcc 0
23 mol 234 unq 5 iso 0 dist 7.17987 13.5847 6.7625 11.1153 6.16697 8.47009 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 6.67907 5.81354 8.04248 5.50501 5.74377 8.77254 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 6.0087 5.81354 8.35971 5.50501 10.054 8.77254 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.94587 4.3284 6.57393 9.74212 10.8336 6.83152 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.09166 9.48707 7.31233 13.2051 12.1448 5.24313 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 17.2948 10.221 8.58088 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 13.4783 9.10984 9.58006 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.89728 5.07898 7.46176 13.4783 11.8501 9.58006 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 6.42437 5.07898 9.18903 13.4783 13.9868 9.58006 numMergedOcc 0
