0 mol 1 unq 0 iso 0 dist 8.27735 6.03793 8.56884 8.7275 4.50502 5.96833 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.25179 6.62605 6.85412 12.539 5.84314 9.71516 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.25179 4.75933 6.33889 12.539 5.84314 9.81658 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.72522 11.0121 6.85412 13.4961 5.84314 9.71516 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.72522 6.35665 6.33889 13.4961 5.84314 9.81658 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 8.38921 6.86154 6.08338 13.2401 14.0241 9.35562 numMergedOcc 0
6 mol 21 unq 1 iso 0 dist 8.38921 6.86154 6.08338 12.4398 4.20001 8.63857 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 7.34549 7.23551 6.73162 13.5781 7.11305 9.96121 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.09068 4.03252 6.73162 11.9639 7.11305 9.96121 numMergedOcc 0
9 mol 26 unq 2 iso 0 dist 9.72289 8.34836 6.73162 14.7493 7.11305 9.96121 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.63534 6.55474 8.19682 12.9361 15.4159 9.4866 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.51543 8.36307 6.21982 8.18572 5.31985 9.4866 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.11612 5.39389 7.76729 9.21978 6.63111 8.0168 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.22628 5.26498 7.64585 9.26505 6.95773 7.65255 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.94909 11.1266 7.92688 19.7175 14.8533 9.10003 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.75736 9.88404 8.94837 10.2034 11.5407 5.52149 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.76166 6.15672 8.94837 9.13631 11.5407 5.52149 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 6.32178 9.88404 7.77454 10.2034 5.91192 5.52149 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 7.2977 6.15672 7.77454 9.13631 5.91192 5.52149 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 6.40792 9.78198 8.19104 10.4837 4.91618 6.88846 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 7.81701 5.88778 8.19104 9.62309 4.91618 6.88846 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 9.09857 9.00192 8.31897 11.0639 8.63452 8.62366 numMergedOcc 0
22 mol 173 unq 1 iso 0 dist 9.09857 9.00192 8.31897 12.2224 4.83786 9.44973 numMergedOcc 0
23 mol 173 unq 2 iso 0 dist 9.09857 9.00192 8.31897 5.82174 3.74688 6.52508 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 7.94593 11.0605 9.31887 8.03208 5.00913 9.76114 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 6.43406 4.56814 4.93785 11.1968 6.8757 9.09234 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 6.43406 4.56814 4.93785 9.45579 5.71898 6.76746 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 6.43406 4.56814 4.93785 11.3781 5.83796 8.92098 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 9.14737 7.69844 8.99696 12.0075 17.0276 9.27218 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 7.22234 10.6066 6.0965 17.205 10.1881 8.65196 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 7.22234 15.6607 9.59129 17.205 10.1881 5.461 numMergedOcc 0
31 mol 213 unq 2 iso 0 dist 5.86501 5.56276 6.0965 13.2825 10.1881 8.65196 numMergedOcc 0
32 mol 213 unq 3 iso 0 dist 5.86501 10.1617 9.59129 13.2825 10.1881 5.461 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 6.15754 4.48571 6.25105 6.39499 5.53885 7.36208 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 6.6281 5.91466 6.25105 10.6663 5.53885 7.36208 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 8.9413 6.40261 9.5707 6.39499 3.95629 8.27411 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 8.9413 6.40261 9.5707 11.4547 15.9732 6.96257 numMergedOcc 0
37 mol 234 unq 4 iso 0 dist 8.9413 4.48571 7.85175 6.39499 3.95629 7.36208 numMergedOcc 0
38 mol 234 unq 5 iso 0 dist 4.91961 12.2893 9.5707 8.6243 3.95629 8.27411 numMergedOcc 0
39 mol 234 unq 6 iso 0 dist 4.91961 12.2893 9.5707 17.9127 15.9732 6.96257 numMergedOcc 0
40 mol 234 unq 7 iso 0 dist 4.91961 11.1927 7.85175 8.6243 3.95629 7.36208 numMergedOcc 0
41 mol 235 unq 0 iso 0 dist 8.84872 13.4086 9.58736 17.7298 13.7306 7.02029 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 8.79626 12.9417 7.32211 17.4504 10.7187 7.02029 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 6.51823 6.04481 7.2766 13.6578 10.0605 8.69525 numMergedOcc 0
44 mol 248 unq 0 iso 0 dist 9.5107 7.39322 6.07192 10.2557 4.58289 5.0345 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 14.558 10.282 8.84648 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 6.20344 12.9748 7.48005 13.5375 10.067 6.23661 numMergedOcc 0
47 mol 282 unq 0 iso 0 dist 7.12228 7.00729 7.32347 10.9891 5.29852 7.52924 numMergedOcc 0
