0 mol 7 unq 0 iso 0 dist 8.77133 6.15313 9.97624 4.65291 8.81608 5.5683 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.11751 7.11548 6.50647 4.64441 9.51568 5.20798 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.63881 5.60332 6.15893 4.80254 9.06516 5.29055 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.63881 5.60332 6.15893 11.7253 6.79475 6.64374 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.63881 7.30207 5.497 4.80254 9.06516 4.76998 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 8.63881 7.30207 5.497 11.7253 6.79475 5.39199 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 9.33901 5.3241 6.15893 8.13849 9.06516 5.29055 numMergedOcc 0
7 mol 26 unq 5 iso 0 dist 9.33901 5.3241 6.15893 4.73289 6.79475 6.64374 numMergedOcc 0
8 mol 26 unq 6 iso 0 dist 9.33901 6.30968 5.497 8.13849 9.06516 4.76998 numMergedOcc 0
9 mol 26 unq 7 iso 0 dist 9.33901 6.30968 5.497 4.73289 6.79475 5.39199 numMergedOcc 0
10 mol 29 unq 0 iso 0 dist 8.69877 4.39894 7.9067 12.5175 7.08841 9.25868 numMergedOcc 0
11 mol 39 unq 0 iso 0 dist 9.83017 9.82078 6.47855 5.34042 8.94353 10.5824 numMergedOcc 0
12 mol 39 unq 1 iso 0 dist 9.83017 9.82078 6.47855 7.13642 7.30265 3.91611 numMergedOcc 0
13 mol 39 unq 2 iso 0 dist 5.1736 6.8989 6.47855 4.53384 8.94353 10.5824 numMergedOcc 0
14 mol 39 unq 3 iso 0 dist 5.1736 6.8989 6.47855 5.88717 7.30265 3.91611 numMergedOcc 0
15 mol 41 unq 0 iso 0 dist 9.22814 4.65104 6.73801 4.98483 7.29079 4.23447 numMergedOcc 0
16 mol 41 unq 1 iso 0 dist 9.22814 14.2155 6.42834 4.98483 7.29079 11.5146 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 8.17967 9.40625 9.63599 4.0291 6.52939 9.51372 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.20053 6.30715 7.33541 10.4539 5.29949 11.0969 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 8.62574 9.50242 7.36017 9.04692 8.7789 3.9234 numMergedOcc 0
20 mol 126 unq 1 iso 0 dist 8.62574 9.50242 7.36017 6.69936 9.93613 5.50104 numMergedOcc 0
21 mol 126 unq 2 iso 0 dist 8.62574 4.61044 5.14819 9.04692 8.7789 6.1079 numMergedOcc 0
22 mol 126 unq 3 iso 0 dist 8.62574 4.61044 5.14819 6.69936 9.93613 7.02562 numMergedOcc 0
23 mol 126 unq 4 iso 0 dist 8.62574 6.44454 6.84245 9.04692 8.7789 9.58426 numMergedOcc 0
24 mol 126 unq 5 iso 0 dist 8.62574 6.44454 6.84245 6.69936 9.93613 11.1195 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 7.46812 9.68947 6.51868 8.8108 9.10003 10.0161 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 7.46812 5.10826 7.34698 8.8108 9.10003 11.7838 numMergedOcc 0
27 mol 157 unq 0 iso 0 dist 8.18826 6.22449 6.455 5.43167 6.4431 3.89036 numMergedOcc 0
28 mol 162 unq 0 iso 0 dist 8.8048 8.86946 8.30984 8.69327 6.65272 3.91051 numMergedOcc 0
29 mol 162 unq 1 iso 0 dist 8.8048 8.86946 8.30984 6.65154 9.66989 3.88817 numMergedOcc 0
30 mol 173 unq 0 iso 0 dist 9.71921 4.24035 8.41245 16.2049 8.62366 16.0084 numMergedOcc 0
31 mol 173 unq 1 iso 0 dist 9.71921 4.24035 8.41245 13.6231 9.44973 13.8465 numMergedOcc 0
32 mol 173 unq 2 iso 0 dist 9.71921 4.24035 8.41245 9.96192 6.52508 11.2063 numMergedOcc 0
33 mol 173 unq 3 iso 0 dist 9.71921 5.66096 6.64779 16.2049 8.62366 11.3761 numMergedOcc 0
34 mol 173 unq 4 iso 0 dist 9.71921 5.66096 6.64779 13.6231 9.44973 9.90783 numMergedOcc 0
35 mol 173 unq 5 iso 0 dist 9.71921 5.66096 6.64779 9.96192 6.52508 4.60149 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 7.87044 7.07871 9.82588 6.04748 9.32333 5.66395 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 6.35305 4.92804 7.10526 7.35194 5.3819 6.65648 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 9.23348 5.04697 7.10526 5.87202 5.3819 6.65648 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 5.95968 4.23022 9.92417 5.56979 6.15777 7.99235 numMergedOcc 0
40 mol 237 unq 0 iso 0 dist 6.56421 6.45163 5.98039 5.08738 7.12731 4.08768 numMergedOcc 0
41 mol 237 unq 1 iso 0 dist 6.56421 5.11844 9.48932 5.08738 7.12731 5.64112 numMergedOcc 0
