0 mol 9 unq 0 iso 0 dist 8.77074 6.21955 7.38646 17.4675 9.27637 15.8283 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.46609 5.36736 9.97991 13.1626 8.44506 11.1182 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 7.23173 8.95693 9.90053 4.93292 7.77916 6.44499 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.53468 14.5223 8.0534 14.2026 8.03303 4.91508 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.90954 11.7502 8.0534 9.27925 8.03303 4.91508 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.28282 7.21958 9.42735 4.57694 4.79949 6.71804 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.42713 12.7083 5.89661 17.674 9.81831 8.38283 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.42713 12.7083 5.89661 15.232 9.12858 6.13065 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.42713 12.7083 5.89661 12.5871 9.4523 11.0971 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.21032 7.44572 5.89661 6.25741 9.81831 8.38283 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.21032 7.44572 5.89661 10.0172 9.12858 6.13065 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.21032 7.44572 5.89661 13.6269 9.4523 11.0971 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 6.62468 5.76927 7.67321 13.474 9.28592 13.9674 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.0733 7.55155 6.39075 4.58263 8.56003 5.90361 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 6.4752 14.5183 9.95533 8.95179 5.49226 5.65454 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 6.4752 14.5183 9.95533 10.5583 6.28351 10.1056 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 6.4752 13.8716 7.94147 8.95179 5.49226 10.4411 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 6.4752 13.8716 7.94147 10.5583 6.28351 6.11262 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.69054 13.9794 9.85967 5.58953 9.11712 15.1894 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 6.69054 6.81989 9.7578 5.58953 9.11712 12.3609 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 9.81593 12.5748 6.97105 8.32163 8.47784 7.59919 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 9.81593 12.5748 6.97105 10.6815 8.66469 10.251 numMergedOcc 0
22 mol 252 unq 2 iso 0 dist 9.78248 10.0697 6.97105 16.5062 8.47784 7.59919 numMergedOcc 0
23 mol 252 unq 3 iso 0 dist 9.78248 10.0697 6.97105 9.67333 8.66469 10.251 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 8.36282 5.51121 4.80092 9.49608 9.64269 7.33684 numMergedOcc 0
25 mol 272 unq 1 iso 0 dist 8.36282 5.51121 4.80092 5.87695 6.88809 6.40917 numMergedOcc 0
26 mol 272 unq 2 iso 0 dist 8.36282 5.51121 4.80092 12.8166 8.46061 10.4451 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 6.63662 5.30286 8.9766 4.37547 7.4099 5.56999 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 5.63154 8.29352 7.84195 5.15837 8.29305 11.4893 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 5.63154 8.29352 7.84195 8.33297 6.43341 12.9462 numMergedOcc 0
30 mol 279 unq 2 iso 0 dist 5.63154 6.34006 9.2174 5.15837 8.29305 4.98462 numMergedOcc 0
31 mol 279 unq 3 iso 0 dist 5.63154 6.34006 9.2174 8.33297 6.43341 7.30763 numMergedOcc 0
