0 mol 12 unq 0 iso 0 dist 8.15864 7.99569 11.8349 6.1378 14.2176 9.8142 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.5937 6.80314 12.7368 7.83348 16.2549 5.16502 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.5937 6.80314 12.7368 4.2802 12.7522 8.26398 numMergedOcc 0
3 mol 17 unq 2 iso 0 dist 7.34681 6.80314 13.5569 7.83348 13.2523 5.16502 numMergedOcc 0
4 mol 17 unq 3 iso 0 dist 7.34681 6.80314 13.5569 4.2802 6.64199 8.26398 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.53081 6.42242 5.84184 10.3657 11.0069 7.84895 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.53081 6.42242 5.84184 10.4457 9.51899 5.8541 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.53081 6.42242 5.84184 10.1874 10.3437 5.82264 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 9.53081 6.42242 5.84184 5.39197 12.4931 7.20729 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 9.53081 6.42242 5.84184 4.89976 9.74553 5.72703 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.64686 6.64915 13.4228 8.65653 13.3239 5.79139 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 7.57471 8.59105 4.99645 6.90315 9.20673 9.41934 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 8.91354 6.93893 5.06999 12.7678 10.7509 9.97813 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.70612 6.6186 5.04277 4.65353 9.62106 9.22418 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 7.1859 7.73086 4.93063 4.4529 7.33426 9.44645 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.88178 7.50264 13.5143 11.8519 18.7325 8.31198 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 8.6953 6.86997 4.74651 7.34563 13.412 9.17462 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 8.6953 6.86997 4.74651 3.54257 9.0735 8.74878 numMergedOcc 0
18 mol 148 unq 2 iso 0 dist 8.6953 7.46919 9.03832 7.34563 13.412 5.75959 numMergedOcc 0
19 mol 148 unq 3 iso 0 dist 8.6953 8.24581 10.0113 7.34563 13.412 6.6946 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 8.65967 6.79381 4.75241 7.33121 13.2956 9.01668 numMergedOcc 0
21 mol 150 unq 1 iso 0 dist 8.65967 6.79381 4.75241 3.59609 9.03593 8.74018 numMergedOcc 0
22 mol 150 unq 2 iso 0 dist 8.65967 7.36989 9.0892 7.33121 13.2956 5.4798 numMergedOcc 0
23 mol 150 unq 3 iso 0 dist 8.65967 8.17805 10.21 7.33121 13.2956 6.32391 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 9.38856 8.07946 9.75659 5.34159 13.1934 7.20362 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 8.1907 6.20426 5.01686 8.6599 7.50005 8.4784 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 8.51153 8.28295 5.3597 7.8747 12.304 8.78623 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 5.86839 6.23057 4.79372 4.51847 4.93303 6.81516 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 5.86839 6.23057 4.79372 13.1148 10.1326 9.17562 numMergedOcc 0
29 mol 230 unq 0 iso 0 dist 9.14989 9.07808 4.32112 9.09648 7.51295 8.91416 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 6.77822 6.83927 4.06349 6.92845 11.9821 9.89191 numMergedOcc 0
31 mol 244 unq 0 iso 0 dist 7.43391 9.97458 16.3 4.80974 11.4167 9.30179 numMergedOcc 0
32 mol 244 unq 1 iso 0 dist 7.43391 9.97458 16.3 13.59 19.1923 6.10489 numMergedOcc 0
33 mol 244 unq 2 iso 0 dist 7.43391 9.97458 16.3 12.146 19.1238 4.4204 numMergedOcc 0
34 mol 244 unq 3 iso 0 dist 7.79787 9.97458 4.89551 4.80974 9.45199 9.30179 numMergedOcc 0
35 mol 244 unq 4 iso 0 dist 7.79787 9.97458 4.89551 13.59 9.07512 6.10489 numMergedOcc 0
36 mol 244 unq 5 iso 0 dist 7.79787 9.97458 4.89551 12.146 9.12728 4.4204 numMergedOcc 0
37 mol 254 unq 0 iso 0 dist 9.54511 7.00841 9.6988 11.9928 15.4203 9.50951 numMergedOcc 0
38 mol 256 unq 0 iso 0 dist 6.45473 9.65136 9.83915 6.51471 9.49634 4.36333 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 9.8165 8.51736 10.5286 6.4179 11.4599 8.31526 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 9.8165 8.51736 10.5286 11.4354 16.7864 7.08328 numMergedOcc 0
41 mol 261 unq 0 iso 0 dist 4.85199 6.45102 5.52134 4.30068 7.14871 9.41212 numMergedOcc 0
42 mol 261 unq 1 iso 0 dist 9.13604 9.20425 5.52134 10.2597 7.14871 9.41212 numMergedOcc 0
43 mol 261 unq 2 iso 0 dist 9.72159 6.45102 7.0673 4.30068 13.812 9.41212 numMergedOcc 0
44 mol 261 unq 3 iso 0 dist 6.89731 9.20425 7.0673 10.2597 13.812 9.41212 numMergedOcc 0
45 mol 261 unq 4 iso 0 dist 9.85607 9.20425 9.06697 10.2597 16.4733 9.41212 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 8.8646 9.54381 14.5123 6.09382 12.4167 9.32971 numMergedOcc 0
47 mol 282 unq 0 iso 0 dist 8.54984 8.42086 6.45254 4.01024 11.1643 8.46115 numMergedOcc 0
48 mol 282 unq 1 iso 0 dist 6.04225 8.42086 4.0078 4.01024 7.21879 8.46115 numMergedOcc 0
49 mol 282 unq 2 iso 0 dist 5.00258 7.84236 4.0078 4.4471 7.21879 8.46115 numMergedOcc 0
50 mol 282 unq 3 iso 0 dist 9.98886 7.84236 12.9261 4.4471 14.1761 8.46115 numMergedOcc 0
