0 mol 18 unq 0 iso 0 dist 6.79099 6.27914 6.39243 13.4014 9.51761 15.2831 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.79099 6.27914 6.39243 5.27833 7.3094 9.30561 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 6.79099 11.864 9.1715 13.4014 9.51761 17.8306 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 6.79099 11.864 9.1715 5.27833 7.3094 14.3582 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 7.7625 4.91262 9.23497 5.8664 9.0709 6.03084 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 7.68916 5.20613 5.26018 11.9986 9.80098 12.8491 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.68916 5.20613 5.26018 13.3091 7.34143 10.3287 numMergedOcc 0
7 mol 52 unq 2 iso 0 dist 7.68916 12.9528 7.1203 11.9986 9.80098 5.92851 numMergedOcc 0
8 mol 52 unq 3 iso 0 dist 7.68916 12.9528 7.1203 13.3091 7.34143 6.03647 numMergedOcc 0
9 mol 52 unq 4 iso 0 dist 7.47417 9.16378 5.26018 8.90624 9.80098 12.8491 numMergedOcc 0
10 mol 52 unq 5 iso 0 dist 7.47417 9.16378 5.26018 13.0115 7.34143 10.3287 numMergedOcc 0
11 mol 52 unq 6 iso 0 dist 7.47417 9.86407 7.1203 8.90624 9.80098 5.92851 numMergedOcc 0
12 mol 52 unq 7 iso 0 dist 7.47417 9.86407 7.1203 13.0115 7.34143 6.03647 numMergedOcc 0
13 mol 70 unq 0 iso 0 dist 9.74268 14.243 7.63663 6.95018 9.65964 14.2824 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 7.26032 11.0259 8.40609 5.91309 9.5497 9.54732 numMergedOcc 0
15 mol 86 unq 1 iso 0 dist 5.49793 5.80063 8.40609 5.82069 9.5497 9.54732 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.09688 8.20567 8.92577 9.65979 6.45675 6.89293 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 5.09688 8.20567 8.92577 12.2879 7.47343 12.0555 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 5.09688 8.20567 8.92577 10.2364 8.86688 12.7188 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 5.09688 5.65432 9.56324 9.65979 6.45675 15.1093 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 5.09688 5.65432 9.56324 12.2879 7.47343 16.8752 numMergedOcc 0
21 mol 100 unq 5 iso 0 dist 5.09688 5.65432 9.56324 10.2364 8.86688 13.0353 numMergedOcc 0
22 mol 100 unq 6 iso 0 dist 9.26343 10.4985 8.92577 13.666 6.45675 6.89293 numMergedOcc 0
23 mol 100 unq 7 iso 0 dist 9.26343 10.4985 8.92577 16.4386 7.47343 12.0555 numMergedOcc 0
24 mol 100 unq 8 iso 0 dist 9.26343 10.4985 8.92577 15.5646 8.86688 12.7188 numMergedOcc 0
25 mol 100 unq 9 iso 0 dist 9.26343 6.03516 9.56324 13.666 6.45675 15.1093 numMergedOcc 0
26 mol 100 unq 10 iso 0 dist 9.26343 6.03516 9.56324 16.4386 7.47343 16.8752 numMergedOcc 0
27 mol 100 unq 11 iso 0 dist 9.26343 6.03516 9.56324 15.5646 8.86688 13.0353 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 9.41387 5.53825 7.0318 6.54872 9.84395 8.12649 numMergedOcc 0
29 mol 117 unq 1 iso 0 dist 9.41387 5.53825 7.0318 9.3855 7.90328 5.21051 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 8.59784 7.11469 8.62648 9.70986 8.73993 4.6251 numMergedOcc 0
31 mol 125 unq 0 iso 0 dist 8.38646 8.9635 6.03557 6.5815 8.62381 5.14495 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 6.38977 5.7687 9.33945 6.82985 8.40312 12.3624 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 6.99089 9.32667 5.57904 10.1742 6.54501 7.41837 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.99089 9.32667 5.57904 12.6542 6.49416 6.50005 numMergedOcc 0
35 mol 156 unq 0 iso 0 dist 7.80643 11.1371 9.19499 6.52984 7.44554 5.66289 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.03567 3.88154 5.16813 8.18892 9.70748 5.87924 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 8.03567 3.88154 5.16813 8.339 7.54065 8.61343 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 8.03567 3.88154 5.16813 12.2966 8.87694 11.0854 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 6.18486 7.61598 7.71761 6.78651 7.55216 5.841 numMergedOcc 0
40 mol 261 unq 0 iso 0 dist 7.7309 7.13444 9.05762 9.29412 6.05727 5.79827 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 4.96568 9.17848 5.3051 5.25115 8.4218 11.4819 numMergedOcc 0
42 mol 272 unq 0 iso 0 dist 7.66615 13.1178 7.31993 11.4664 9.97651 7.33684 numMergedOcc 0
43 mol 272 unq 1 iso 0 dist 7.66615 13.1178 7.31993 10.3544 8.46116 10.4451 numMergedOcc 0
44 mol 276 unq 0 iso 0 dist 7.11272 8.07628 8.79189 5.75852 6.87396 6.33662 numMergedOcc 0
