0 mol 54 unq 0 iso 0 dist 9.5915 9.83754 15.4924 9.88291 5.97635 12.134 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.5915 5.01162 6.31564 9.88291 5.97635 6.59893 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.81747 8.69443 13.5189 12.0007 8.05508 19.4465 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.81747 8.69443 13.5189 10.9658 9.00229 19.4255 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.4022 9.98577 14.3736 7.19147 8.09199 11.0194 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.84346 6.02034 11.4479 7.17843 9.23023 11.0964 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.46472 6.77808 11.4479 4.4651 9.23023 11.0964 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.84249 6.30128 9.10324 4.34071 7.53905 9.67907 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.84249 6.30128 9.10324 11.6091 7.15985 14.7635 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.72434 8.90289 11.3405 12.3603 7.91337 18.0123 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.72434 8.90289 11.3405 6.0968 6.40546 10.4218 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.0455 8.63018 4.99299 5.56946 9.28278 6.29026 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 9.0455 8.63018 4.99299 6.10584 8.78082 11.4199 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 7.12336 8.63817 4.70999 6.26797 9.50322 12.7635 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.12336 8.63817 4.70999 9.73435 5.82404 10.4418 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 7.12336 6.23615 12.4479 5.37072 5.86531 11.5405 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 5.44125 5.83335 9.7245 4.81807 5.83071 10.4979 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 5.44125 5.83335 9.7245 10.0008 7.07224 15.6552 numMergedOcc 0
18 mol 183 unq 2 iso 0 dist 5.44125 5.83335 9.7245 11.2316 9.82101 16.1992 numMergedOcc 0
19 mol 183 unq 3 iso 0 dist 5.44125 9.92635 7.93856 4.81807 5.83071 9.34207 numMergedOcc 0
20 mol 183 unq 4 iso 0 dist 5.44125 9.92635 7.93856 10.0008 7.07224 7.31181 numMergedOcc 0
21 mol 183 unq 5 iso 0 dist 5.44125 9.92635 7.93856 11.2316 9.82101 14.0143 numMergedOcc 0
22 mol 183 unq 6 iso 0 dist 7.11505 9.86506 15.6656 5.92045 5.83071 15.2111 numMergedOcc 0
23 mol 183 unq 7 iso 0 dist 7.11505 9.86506 15.6656 9.95614 7.07224 19.7973 numMergedOcc 0
24 mol 183 unq 8 iso 0 dist 7.11505 9.86506 15.6656 12.9864 9.82101 22.1566 numMergedOcc 0
25 mol 183 unq 9 iso 0 dist 7.11505 7.86724 9.7245 5.92045 5.83071 10.4979 numMergedOcc 0
26 mol 183 unq 10 iso 0 dist 7.11505 7.86724 9.7245 9.95614 7.07224 15.6552 numMergedOcc 0
27 mol 183 unq 11 iso 0 dist 7.11505 7.86724 9.7245 12.9864 9.82101 16.1992 numMergedOcc 0
28 mol 183 unq 12 iso 0 dist 7.11505 7.85507 7.93856 5.92045 5.83071 9.34207 numMergedOcc 0
29 mol 183 unq 13 iso 0 dist 7.11505 7.85507 7.93856 9.95614 7.07224 7.31181 numMergedOcc 0
30 mol 183 unq 14 iso 0 dist 7.11505 7.85507 7.93856 12.9864 9.82101 14.0143 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 7.50665 4.90407 5.31797 5.44171 7.50424 5.00515 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 9.51177 9.46728 15.2081 10.42 9.66555 10.2654 numMergedOcc 0
33 mol 256 unq 0 iso 0 dist 7.14598 9.71499 9.74403 6.4717 7.67598 14.0951 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 8.23739 8.43067 5.95774 4.37426 6.36911 4.97263 numMergedOcc 0
35 mol 257 unq 1 iso 0 dist 8.23739 8.43067 5.95774 5.8531 7.82899 5.36776 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.37512 9.4886 5.24482 8.27707 9.59174 6.09782 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 9.05363 5.98006 6.13878 6.64729 5.90645 6.77279 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 9.05363 5.45793 5.30516 10.4985 8.06771 10.8647 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 5.30455 7.97113 4.77489 5.59901 6.42725 10.0766 numMergedOcc 0
40 mol 259 unq 3 iso 0 dist 5.30455 5.22111 4.59239 5.59901 6.42725 9.52383 numMergedOcc 0
41 mol 259 unq 4 iso 0 dist 7.34794 7.97113 7.10624 5.41945 9.54857 12.2198 numMergedOcc 0
42 mol 259 unq 5 iso 0 dist 7.34794 5.22111 5.09929 5.41945 9.54857 7.93997 numMergedOcc 0
43 mol 259 unq 6 iso 0 dist 6.8184 8.38479 4.77489 4.30432 6.42725 10.0766 numMergedOcc 0
44 mol 259 unq 7 iso 0 dist 6.8184 8.53598 4.59239 4.30432 6.42725 9.52383 numMergedOcc 0
