0 mol 5 unq 0 iso 0 dist 4.9568 3.67097 5.69239 5.2392 3.33561 7.50453 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.04534 9.26728 6.83186 15.7037 12.0683 9.89425 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.6586 10.3497 8.25818 13.8227 11.1587 7.7447 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.25138 6.13411 4.46067 7.30651 5.98227 8.93807 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.57551 7.27578 7.7485 11.4329 7.18877 8.71074 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.46582 9.68005 7.66068 6.63973 3.35924 5.45099 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 6.46582 14.6547 9.5043 6.63973 3.35924 8.44765 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.46582 14.1202 8.34132 6.63973 3.35924 9.06643 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 7.08403 3.77247 7.02358 6.12348 3.52445 4.30875 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.58434 3.71884 9.31385 10.7222 3.28697 9.98772 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.16089 3.71884 6.98791 10.7222 4.5296 9.98772 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.97414 7.13766 5.86767 9.23064 6.06538 7.0961 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 8.97414 7.13766 5.86767 7.30338 9.99868 8.21227 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 8.97414 7.13766 5.86767 13.0959 10.7133 6.53038 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 9.58901 5.74428 6.96715 13.7802 13.5169 9.06172 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 9.58901 5.74428 6.96715 13.1732 14.673 8.93091 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 7.33643 3.89732 6.96715 6.27683 3.59996 4.11374 numMergedOcc 0
17 mol 169 unq 3 iso 0 dist 7.50458 4.24401 5.10589 6.00783 9.60496 8.6961 numMergedOcc 0
18 mol 169 unq 4 iso 0 dist 7.78577 3.69097 5.10589 10.7469 3.18152 7.65903 numMergedOcc 0
19 mol 169 unq 5 iso 0 dist 7.78577 7.14832 4.63336 10.7469 3.18152 5.97653 numMergedOcc 0
20 mol 169 unq 6 iso 0 dist 7.78577 8.01356 6.10715 10.7469 3.18152 7.75523 numMergedOcc 0
21 mol 169 unq 7 iso 0 dist 5.79554 4.24401 4.63336 6.00783 10.5251 8.6961 numMergedOcc 0
22 mol 169 unq 8 iso 0 dist 4.22003 4.24401 6.10715 6.00783 8.67112 8.6961 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 7.69952 8.26669 7.25595 17.1511 14.4913 8.92135 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 9.14525 13.1776 7.25595 12.6102 3.60793 8.17928 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.12524 5.8523 8.32259 10.8198 4.7839 7.33774 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 9.12524 10.6525 8.54737 10.8198 4.7839 6.39122 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 7.49754 7.61073 9.71831 15.5348 14.4808 9.02881 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 8.72101 14.313 7.98956 15.573 10.5214 5.13533 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 5.11998 7.31817 7.98956 11.7453 10.5214 5.13533 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 6.73396 7.01472 5.88958 8.27917 3.14843 4.27826 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 6.73396 11.0045 7.78121 8.27917 3.14843 5.82074 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.40443 9.94473 6.24487 10.5491 5.96434 6.22311 numMergedOcc 0
33 mol 287 unq 1 iso 0 dist 7.84189 9.51119 4.68668 10.251 3.66473 4.93516 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.40443 9.94473 6.24487 10.5491 5.96434 6.22311 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 7.84189 9.51119 4.68668 10.251 3.66473 4.93516 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 9.40443 9.94473 6.24487 10.5491 5.96434 6.22311 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 7.84189 9.51119 4.68668 10.251 3.66473 4.93516 numMergedOcc 0
