0 mol 7 unq 0 iso 0 dist 6.64176 6.70503 5.99972 8.80895 4.60206 5.51421 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.64176 7.6899 9.68006 8.80895 4.60206 7.81271 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.63526 11.9454 9.25641 18.4407 12.7481 9.22002 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.02731 4.05764 4.74544 4.85282 7.46975 8.1599 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 8.70783 10.8737 6.72639 7.62028 6.59475 8.76461 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 6.65318 7.12509 6.60933 14.2517 9.51381 8.35636 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.7085 11.4228 8.8822 16.4545 11.2266 8.89481 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.04937 7.79117 8.99399 11.0698 5.73999 6.40546 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.98622 8.48942 7.58957 4.76012 4.92611 6.38163 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 9.06613 6.66205 6.45896 12.1214 4.13881 8.25167 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 8.53734 11.071 9.61462 7.7195 4.98945 6.07091 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 6.08141 10.3893 9.61462 8.30819 4.98945 6.07091 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.66298 5.31 5.85827 13.1502 10.6052 9.88732 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 8.66298 5.31 5.85827 10.0322 5.62869 5.77949 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 8.66298 5.31 5.85827 13.5864 8.39191 8.68403 numMergedOcc 0
15 mol 180 unq 3 iso 0 dist 8.66298 5.31 5.85827 5.78414 4.11186 5.80441 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.89987 5.10258 6.22122 13.1737 12.0718 9.58911 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.91457 11.9245 5.94469 12.378 6.78739 9.84952 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.71614 9.58683 8.77999 17.6782 11.0516 9.90531 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 8.81185 10.9985 8.77999 18.3634 11.0516 9.90531 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 4.83135 9.99132 6.86319 15.5979 11.4857 8.79558 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 8.06858 10.1617 9.74144 13.7865 9.39384 5.87223 numMergedOcc 0
22 mol 212 unq 1 iso 0 dist 8.06858 10.1617 9.74144 7.35349 4.69067 8.062 numMergedOcc 0
23 mol 212 unq 2 iso 0 dist 8.06858 10.1617 9.74144 12.302 5.37854 8.70011 numMergedOcc 0
24 mol 212 unq 3 iso 0 dist 7.89739 5.19318 8.69988 7.67675 6.48939 5.87223 numMergedOcc 0
25 mol 212 unq 4 iso 0 dist 7.89739 5.19318 8.69988 12.2251 10.4595 8.062 numMergedOcc 0
26 mol 212 unq 5 iso 0 dist 7.89739 5.19318 8.69988 12.1291 8.87823 8.70011 numMergedOcc 0
27 mol 212 unq 6 iso 0 dist 6.12161 5.19318 8.55903 7.67675 5.81626 5.87223 numMergedOcc 0
28 mol 212 unq 7 iso 0 dist 6.12161 5.19318 8.55903 12.2251 14.0193 8.062 numMergedOcc 0
29 mol 212 unq 8 iso 0 dist 6.12161 5.19318 8.55903 12.1291 10.7245 8.70011 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 8.70651 9.88635 8.50102 8.15743 6.36084 7.70279 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 8.70651 5.08111 9.40808 8.15743 6.36084 9.29752 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 8.88567 5.19951 6.30154 5.67249 6.06471 7.46434 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 8.88567 5.19951 6.30154 12.2496 11.2248 7.50424 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 9.45787 5.19951 7.32499 5.67249 11.1213 7.46434 numMergedOcc 0
35 mol 234 unq 3 iso 0 dist 9.45787 5.19951 7.32499 12.2496 10.6488 7.50424 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 6.38654 6.89249 8.94014 14.4186 16.2294 9.32451 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.77185 9.71057 8.94014 14.1871 16.2294 9.32451 numMergedOcc 0
38 mol 243 unq 0 iso 0 dist 7.24253 6.54531 7.49645 5.1766 3.87679 6.86162 numMergedOcc 0
39 mol 251 unq 0 iso 0 dist 7.59626 4.80531 8.68707 8.3966 4.01393 8.39644 numMergedOcc 0
40 mol 251 unq 1 iso 0 dist 7.52286 5.60154 8.68707 5.34851 4.01393 8.39644 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 7.41653 6.88723 9.63959 10.577 5.32742 9.59174 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 9.98231 6.00315 7.98231 12.6191 5.61261 8.06771 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 9.98231 5.69584 7.08526 11.678 8.74892 9.54857 numMergedOcc 0
44 mol 265 unq 0 iso 0 dist 6.99454 5.26386 6.71375 11.1606 10.7881 7.04833 numMergedOcc 0
