0 mol 59 unq 0 iso 0 dist 4.67917 6.88924 3.8971 5.29688 8.05508 10.7085 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 4.67917 6.88924 3.8971 11.0325 9.00229 12.5405 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 4.67917 5.81747 7.14954 5.34079 6.65344 10.9882 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 5.81747 6.81975 3.8971 12.0007 8.05508 10.7085 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 5.81747 6.81975 3.8971 10.9658 9.00229 12.5405 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 5.81747 4.67917 7.14954 10.6918 9.59244 11.482 numMergedOcc 0
6 mol 59 unq 6 iso 0 dist 6.88924 6.81975 7.14954 6.11334 6.65344 10.9882 numMergedOcc 0
7 mol 59 unq 7 iso 0 dist 6.81975 6.88924 7.14954 7.5168 9.59244 11.482 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.92399 9.28654 7.39248 4.41538 9.44916 10.6287 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 9.28654 8.92399 7.39248 6.6573 9.10981 11.0261 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 9.84346 9.53794 9.6334 7.17843 9.23023 14.6085 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.59503 9.16403 14.0753 4.73713 8.4545 10.1525 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.59503 9.16403 14.0753 4.36394 7.01176 12.768 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 9.04757 7.5447 11.4601 4.12904 9.63873 11.6021 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 9.94201 9.09742 3.69868 6.1294 9.66407 10.9816 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 8.39718 9.82462 10.657 4.28574 7.1027 10.1747 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.75545 8.86645 4.09371 8.58814 9.58911 12.7453 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 5.44125 8.15747 12.9125 4.81807 5.83071 12.5173 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 5.44125 8.15747 12.9125 10.0008 7.07224 17.9969 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 5.44125 8.15747 12.9125 11.2316 9.82101 18.7725 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 7.11505 8.74903 12.9125 5.92045 5.83071 12.5173 numMergedOcc 0
21 mol 183 unq 4 iso 0 dist 7.11505 8.74903 12.9125 9.95614 7.07224 17.9969 numMergedOcc 0
22 mol 183 unq 5 iso 0 dist 7.11505 8.74903 12.9125 12.9864 9.82101 18.7725 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 9.56016 9.52252 9.83918 8.20407 9.878 16.0181 numMergedOcc 0
24 mol 185 unq 1 iso 0 dist 7.92501 8.27418 6.40496 4.83776 9.878 9.21149 numMergedOcc 0
25 mol 185 unq 2 iso 0 dist 8.27418 7.92501 6.40496 4.83776 9.21149 9.878 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 5.29561 9.16638 9.9868 4.43222 9.56029 11.9284 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 7.82564 9.91136 5.15729 5.60375 9.66555 8.67205 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.82564 9.51177 5.00891 5.65577 9.94315 8.59074 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 9.51177 7.82564 5.00891 5.65577 8.59074 9.94315 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 9.91136 7.82564 5.15729 5.60375 8.67205 9.66555 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 5.30455 6.8184 5.25523 8.70769 9.12507 9.57887 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 5.30455 7.34794 4.24996 5.59901 6.42725 9.56653 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 7.34794 5.30455 4.24996 5.41945 9.54857 9.73341 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.35169 7.7557 8.77381 10.1669 9.64124 16.112 numMergedOcc 0
35 mol 292 unq 1 iso 0 dist 8.35169 7.7557 8.77381 5.58251 9.30668 12.6526 numMergedOcc 0
36 mol 292 unq 2 iso 0 dist 7.7557 9.87259 9.50833 9.00118 7.53641 15.9834 numMergedOcc 0
