0 mol 20 unq 0 iso 0 dist 9.14371 5.87364 8.96335 7.89835 4.95725 10.5097 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.14371 5.87364 8.96335 9.94205 5.84217 12.7656 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.14371 5.87364 8.96335 9.08453 4.18921 10.2902 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 7.88429 6.77108 6.71887 6.29808 7.08873 6.29572 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 7.88429 6.77108 6.71887 7.46409 10.6154 5.55622 numMergedOcc 0
5 mol 21 unq 2 iso 0 dist 7.88429 6.77108 6.71887 8.99131 9.29249 4.02349 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.13365 8.12171 6.66749 6.77987 10.2876 9.39212 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.99509 9.9451 10.7805 7.86479 11.2061 11.8894 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.47617 9.9451 13.5667 7.86479 8.6477 11.8894 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 5.73331 9.9451 7.42491 7.86479 6.33831 11.8894 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.48694 9.9451 8.21467 7.86479 4.46233 11.8894 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 7.79726 6.9297 6.79583 8.52697 5.09159 3.99035 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 7.79726 6.9297 6.79583 9.66612 3.73197 5.45824 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 8.00525 4.86532 4.57085 6.64714 12.6799 10.6223 numMergedOcc 0
14 mol 91 unq 1 iso 0 dist 6.91417 5.45873 9.13283 8.72835 9.48557 12.99 numMergedOcc 0
15 mol 91 unq 2 iso 0 dist 6.91417 6.97995 10.8161 8.72835 9.48557 6.34042 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 9.10877 6.70158 11.1029 9.43355 10.8106 14.433 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 9.10877 6.70158 11.1029 5.64141 7.14217 9.54244 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 9.10877 6.70158 11.1029 5.46186 12.9351 9.86691 numMergedOcc 0
19 mol 93 unq 3 iso 0 dist 9.10877 7.29701 10.3849 9.43355 10.8106 14.9656 numMergedOcc 0
20 mol 93 unq 4 iso 0 dist 9.10877 7.29701 10.3849 5.64141 7.14217 11.5397 numMergedOcc 0
21 mol 93 unq 5 iso 0 dist 9.10877 7.29701 10.3849 5.46186 12.9351 5.43515 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 6.5258 5.93497 5.76098 5.80831 9.05551 3.99855 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 5.22628 9.19273 6.40494 9.26505 6.95773 6.44969 numMergedOcc 0
24 mol 123 unq 0 iso 0 dist 9.99727 7.36361 14.0935 6.49766 4.1335 10.9073 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.94909 9.68996 17.3514 7.33743 15.0115 4.10674 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 9.23551 6.6094 5.50251 8.73613 5.59468 3.88427 numMergedOcc 0
27 mol 173 unq 0 iso 0 dist 9.09857 6.07708 5.70743 5.82174 3.74688 4.60149 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 9.50454 5.87853 6.29863 9.19831 4.61184 5.14966 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 7.15963 5.87853 5.6044 9.19831 9.83826 5.14966 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 8.84116 7.77211 11.7409 9.22792 12.9384 8.65911 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 8.84116 7.77211 11.7409 7.85696 9.34394 5.48935 numMergedOcc 0
32 mol 186 unq 2 iso 0 dist 8.84116 7.77211 11.7409 5.00402 9.61375 3.87082 numMergedOcc 0
33 mol 186 unq 3 iso 0 dist 8.84116 7.77211 11.7409 6.17773 6.03488 5.94181 numMergedOcc 0
34 mol 186 unq 4 iso 0 dist 8.16369 7.77211 14.8119 9.22792 13.6489 8.65911 numMergedOcc 0
35 mol 186 unq 5 iso 0 dist 8.16369 7.77211 14.8119 7.85696 12.4503 5.48935 numMergedOcc 0
36 mol 186 unq 6 iso 0 dist 8.16369 7.77211 14.8119 5.00402 11.5563 3.87082 numMergedOcc 0
37 mol 186 unq 7 iso 0 dist 8.16369 7.77211 14.8119 6.17773 10.3727 5.94181 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 4.97115 6.23981 4.54749 4.48862 4.53084 5.40367 numMergedOcc 0
39 mol 196 unq 1 iso 0 dist 4.97115 5.92441 7.12828 4.48862 4.53084 6.70817 numMergedOcc 0
40 mol 196 unq 2 iso 0 dist 9.45804 6.23981 14.6849 4.48862 11.522 5.40367 numMergedOcc 0
41 mol 196 unq 3 iso 0 dist 9.45804 5.92441 5.00944 4.48862 11.522 6.70817 numMergedOcc 0
42 mol 196 unq 4 iso 0 dist 9.8486 6.23981 16.0758 4.48862 13.0429 5.40367 numMergedOcc 0
43 mol 196 unq 5 iso 0 dist 9.8486 5.92441 8.61977 4.48862 13.0429 6.70817 numMergedOcc 0
44 mol 196 unq 6 iso 0 dist 7.23126 6.23981 10.645 4.48862 11.5807 5.40367 numMergedOcc 0
45 mol 196 unq 7 iso 0 dist 7.23126 5.92441 11.2081 4.48862 11.5807 6.70817 numMergedOcc 0
