0 mol 8 unq 0 iso 0 dist 6.92865 8.89145 8.02605 8.95363 7.8922 13.7261 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.84393 7.78708 8.01051 4.93362 6.36455 10.2326 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.87895 9.57974 4.87334 9.6739 9.24958 12.4538 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 8.21553 8.22762 7.16971 11.7226 7.77916 14.6115 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.30194 4.24428 5.7113 14.8714 8.73253 13.1821 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.35164 9.43616 4.8896 5.51584 6.78038 6.47042 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 9.43616 8.35164 4.8896 5.51584 6.47042 6.78038 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.19156 9.54589 11.5982 12.0204 9.7918 19.8056 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.56867 7.44784 11.5723 4.64486 5.74857 10.0289 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.97208 5.67862 5.00817 11.5403 5.53031 10.1537 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 9.89142 8.06091 10.4637 7.6506 6.20182 10.2863 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 12.0796 6.85441 16.2661 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 9.1384 7.87125 4.12932 13.7645 8.57827 6.29767 numMergedOcc 0
13 mol 212 unq 1 iso 0 dist 7.87125 9.1384 4.12932 13.7645 6.29767 8.57827 numMergedOcc 0
14 mol 212 unq 2 iso 0 dist 7.87125 9.1384 4.12932 6.39716 8.74585 10.5561 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 9.94212 7.34316 12.3422 6.33419 6.13306 11.147 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 8.56954 9.23938 5.53477 6.46721 9.09271 7.44838 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 9.23938 8.56954 5.53477 6.46721 7.44838 9.09271 numMergedOcc 0
18 mol 230 unq 2 iso 0 dist 9.12305 9.30906 5.46301 9.81615 6.41286 10.5345 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 6.36941 9.97357 7.28249 7.05684 8.50331 11.9847 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 6.01168 7.72928 4.28414 14.3522 9.47583 8.44909 numMergedOcc 0
21 mol 240 unq 1 iso 0 dist 7.72928 6.01168 4.28414 14.3522 8.44909 9.47583 numMergedOcc 0
22 mol 240 unq 2 iso 0 dist 6.83069 9.30995 4.28414 8.30926 9.47583 8.44909 numMergedOcc 0
23 mol 240 unq 3 iso 0 dist 9.30995 6.83069 4.28414 8.30926 8.44909 9.47583 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.9357 5.79537 5.30627 11.517 7.99477 10.711 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 7.9357 5.79537 5.30627 5.04382 7.86627 7.93574 numMergedOcc 0
26 mol 258 unq 2 iso 0 dist 8.81059 9.67877 17.2075 15.4617 7.99477 23.8967 numMergedOcc 0
27 mol 258 unq 3 iso 0 dist 8.81059 9.67877 17.2075 11.0527 7.86627 20.2336 numMergedOcc 0
28 mol 258 unq 4 iso 0 dist 8.81059 9.12006 5.30627 15.4617 7.99477 10.711 numMergedOcc 0
29 mol 258 unq 5 iso 0 dist 8.81059 9.12006 5.30627 11.0527 7.86627 7.93574 numMergedOcc 0
30 mol 258 unq 6 iso 0 dist 5.79537 7.9357 5.30627 5.04382 7.93574 7.86627 numMergedOcc 0
31 mol 258 unq 7 iso 0 dist 9.12006 9.67877 18.4031 11.0527 7.93574 20.2336 numMergedOcc 0
32 mol 258 unq 8 iso 0 dist 9.12006 8.81059 5.30627 11.0527 7.93574 7.86627 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 6.62923 4.78812 5.40809 14.4134 9.19033 11.9971 numMergedOcc 0
