0 mol 25 unq 0 iso 0 dist 8.94828 4.54526 4.79873 9.23015 5.63212 7.44277 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 5.39587 4.55481 7.01952 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.36524 6.65242 6.24711 5.39587 4.55481 4.58552 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 6.84521 6.59001 6.66407 13.8606 11.4153 9.50614 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.84521 6.59001 6.66407 10.8355 4.96926 8.34145 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 5.84326 11.3819 9.2898 14.3292 9.67727 8.77529 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 8.56124 4.20641 7.47974 11.7176 10.4274 8.05579 numMergedOcc 0
7 mol 89 unq 1 iso 0 dist 8.85873 10.8883 5.51831 7.02228 6.13636 8.05579 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.26438 7.53887 7.07971 6.62354 5.00433 9.09348 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 6.43255 7.83378 7.07971 8.00085 5.00433 9.09348 numMergedOcc 0
10 mol 109 unq 2 iso 0 dist 7.4389 10.405 7.07971 11.8878 5.00433 9.09348 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.42474 6.59976 5.56994 10.281 6.09562 7.31064 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.5055 6.30012 7.22643 10.7738 4.88025 7.48208 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.84656 15.9796 7.93372 14.395 10.8635 8.62504 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.31276 6.67639 9.10524 7.96353 15.3018 8.14226 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 5.79157 7.97297 8.69531 8.8437 4.00092 8.62504 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 5.50687 4.4987 5.35237 7.96353 5.4761 5.78982 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 8.94541 8.17498 9.00918 9.05409 5.03507 8.14226 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 8.94541 10.9758 7.99477 9.05409 5.03507 5.78982 numMergedOcc 0
19 mol 134 unq 6 iso 0 dist 7.30919 6.67639 9.00918 7.96353 5.03507 8.14226 numMergedOcc 0
20 mol 134 unq 7 iso 0 dist 7.30919 4.4987 7.99477 7.96353 5.03507 5.78982 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 7.73769 4.33589 5.37047 12.3347 7.39837 9.29944 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 5.21803 4.6728 7.37333 9.71155 5.65603 9.43904 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 5.21803 7.06734 7.45998 9.71155 5.65603 7.01095 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.77347 8.69152 6.61112 16.8979 10.8286 8.5672 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 12.7386 9.61454 6.69042 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 9.96544 9.66766 6.86828 12.7386 7.59871 6.69042 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 8.57514 12.7286 6.49765 16.7486 8.97813 5.03818 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 6.11505 12.0822 6.49765 15.0907 8.97813 5.03818 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 6.22964 10.9033 9.21377 9.36144 5.14674 9.95026 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 9.93754 15.2642 8.14831 16.033 6.28241 6.46405 numMergedOcc 0
31 mol 243 unq 0 iso 0 dist 7.80612 11.091 7.10671 12.6512 5.71505 8.20943 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 8.85887 12.6528 9.58916 10.3051 6.56539 9.78237 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 8.85887 12.6528 9.58916 17.2769 10.1301 9.70101 numMergedOcc 0
34 mol 264 unq 2 iso 0 dist 8.85887 12.6528 9.58916 12.6614 4.76241 9.95798 numMergedOcc 0
35 mol 264 unq 3 iso 0 dist 6.65233 6.04707 8.29262 12.6602 13.2035 9.78237 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 9.79022 4.3735 6.31969 12.7672 10.2693 9.02537 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 7.151 10.3171 9.57499 9.22453 11.2997 7.16209 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 8.53324 10.3171 5.46926 9.22453 4.40029 7.16209 numMergedOcc 0
39 mol 277 unq 2 iso 0 dist 8.53324 10.6814 5.13913 9.22453 4.40029 4.62936 numMergedOcc 0
40 mol 277 unq 3 iso 0 dist 7.23956 10.3171 8.9682 9.22453 3.97543 7.16209 numMergedOcc 0
41 mol 277 unq 4 iso 0 dist 7.23956 10.6814 6.92711 9.22453 3.97543 4.62936 numMergedOcc 0
42 mol 277 unq 5 iso 0 dist 8.33977 5.04761 9.57499 11.6275 11.2997 7.16209 numMergedOcc 0
43 mol 277 unq 6 iso 0 dist 8.66941 5.04761 5.46926 11.6275 4.40029 7.16209 numMergedOcc 0
44 mol 277 unq 7 iso 0 dist 8.66941 8.42957 5.13913 11.6275 4.40029 4.62936 numMergedOcc 0
