0 mol 17 unq 0 iso 0 dist 9.54285 9.81441 7.34681 10.6012 4.2802 6.64199 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.0009 6.74022 8.52643 14.5094 10.9916 8.6701 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.91298 6.74022 5.41357 14.5094 7.48046 8.6701 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 9.15982 11.2753 6.54778 14.2772 5.72803 5.87382 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 4.46578 10.008 8.76088 16.1028 13.5318 8.98028 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 5.86949 12.2411 9.18753 13.4908 8.03052 9.0735 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 8.60157 6.76353 8.6953 7.91749 3.54257 9.0735 numMergedOcc 0
7 mol 148 unq 2 iso 0 dist 6.72591 6.76353 9.18753 7.91749 8.03052 9.0735 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 5.84971 12.1573 9.15244 13.5243 8.06512 9.03593 numMergedOcc 0
9 mol 150 unq 1 iso 0 dist 8.59359 6.65519 8.65967 7.96309 3.59609 9.03593 numMergedOcc 0
10 mol 150 unq 2 iso 0 dist 6.80192 6.65519 9.15244 7.96309 8.06512 9.03593 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.34722 10.6035 9.96635 16.7123 13.4119 7.76952 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 8.34722 10.6035 9.96635 11.6369 12.6695 9.98554 numMergedOcc 0
13 mol 160 unq 0 iso 0 dist 5.13415 4.95728 8.1876 10.4229 7.58696 9.5578 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 3.87901 8.4352 7.21397 8.97737 6.22764 8.00005 numMergedOcc 0
15 mol 165 unq 1 iso 0 dist 5.04534 5.73847 7.21397 6.4503 6.22764 8.00005 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.6514 8.3419 7.20545 9.38939 6.39898 7.20131 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 7.03216 4.60682 8.27913 8.43599 5.28013 9.75791 numMergedOcc 0
18 mol 182 unq 1 iso 0 dist 7.03216 4.60682 8.27913 10.4704 11.1857 7.52751 numMergedOcc 0
19 mol 182 unq 2 iso 0 dist 9.42196 4.60682 8.85111 8.43599 5.89583 9.75791 numMergedOcc 0
20 mol 182 unq 3 iso 0 dist 9.42196 4.60682 8.85111 10.4704 5.07242 7.52751 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 9.67207 4.64973 6.2016 8.42665 9.82858 7.97601 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 8.74957 4.61344 9.87574 9.50184 5.46544 7.95437 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 7.91967 9.72265 9.87574 6.49746 5.46544 7.95437 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 7.83611 17.1351 9.87574 12.3415 5.46544 7.95437 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 4.90334 7.84606 9.52029 13.1561 16.0878 8.98633 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.66533 13.587 4.36421 17.7185 9.91172 9.96715 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 6.15396 5.668 5.00258 8.36459 4.4471 7.21879 numMergedOcc 0
28 mol 282 unq 1 iso 0 dist 6.15396 8.54733 9.98886 15.0154 12.5442 9.60384 numMergedOcc 0
29 mol 282 unq 2 iso 0 dist 9.18964 5.668 8.22117 8.36459 10.1631 7.21879 numMergedOcc 0
30 mol 282 unq 3 iso 0 dist 9.18964 8.54733 6.81887 15.0154 7.00145 9.60384 numMergedOcc 0
