0 mol 21 unq 0 iso 0 dist 7.46409 6.29808 5.3862 13.0943 5.93898 9.84542 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.46409 8.99131 8.34961 13.0943 5.93898 13.1725 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.40189 5.22014 3.73215 10.212 8.87744 7.27472 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.22014 6.40189 3.73215 10.212 7.27472 8.87744 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.26412 8.94262 4.99257 8.64255 7.6114 11.9721 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 7.93454 9.06898 3.39994 10.6266 7.18022 6.24711 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.06898 7.93454 3.39994 10.6266 6.24711 7.18022 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.86485 9.1791 7.13086 7.71984 9.22598 13.813 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 6.86485 9.1791 7.13086 4.67517 8.96727 11.2189 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 6.86485 8.37546 6.20884 7.71984 9.22598 9.55996 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 6.86485 8.37546 6.20884 4.67517 8.96727 8.01308 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 8.37546 9.1791 5.68445 4.67517 8.01308 11.2189 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 8.37546 6.86485 6.20884 4.67517 8.01308 8.96727 numMergedOcc 0
13 mol 58 unq 6 iso 0 dist 9.76234 8.26586 7.13086 12.5529 9.22598 13.813 numMergedOcc 0
14 mol 58 unq 7 iso 0 dist 9.76234 8.26586 7.13086 8.47822 8.96727 11.2189 numMergedOcc 0
15 mol 89 unq 0 iso 0 dist 9.55954 7.06277 7.04263 6.529 6.53308 7.47974 numMergedOcc 0
16 mol 89 unq 1 iso 0 dist 7.06277 9.55954 7.04263 4.4691 8.40422 13.0722 numMergedOcc 0
17 mol 89 unq 2 iso 0 dist 7.06277 9.55954 7.04263 5.38419 8.40425 10.7697 numMergedOcc 0
18 mol 89 unq 3 iso 0 dist 7.06277 9.55954 7.04263 6.529 7.47974 6.53308 numMergedOcc 0
19 mol 89 unq 4 iso 0 dist 7.06277 9.55954 7.04263 8.3977 5.51831 12.3442 numMergedOcc 0
20 mol 89 unq 5 iso 0 dist 7.06277 9.55954 7.04263 9.83986 9.65149 15.1929 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 9.61144 6.13521 6.02822 14.8146 9.36001 12.4681 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 6.13521 9.61144 6.02822 4.78289 7.06939 10.9241 numMergedOcc 0
23 mol 93 unq 0 iso 0 dist 5.46186 9.43355 13.3531 10.2851 9.22631 12.8018 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 5.46186 5.64141 10.7398 10.2851 9.22631 13.0349 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 5.44426 7.63284 9.6331 9.04817 5.10496 9.89095 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 5.44426 7.63284 9.6331 4.70157 5.92242 7.02507 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 5.44426 7.63284 9.6331 6.21302 5.2571 12.7417 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 5.44426 7.63284 9.6331 11.2075 8.7497 17.1287 numMergedOcc 0
29 mol 98 unq 4 iso 0 dist 7.63284 5.44426 9.6331 4.70157 7.02507 5.92242 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 5.93561 5.33967 7.49425 5.15479 6.29161 7.86666 numMergedOcc 0
31 mol 109 unq 1 iso 0 dist 5.33967 5.93561 7.49425 5.15479 7.86666 6.29161 numMergedOcc 0
32 mol 109 unq 2 iso 0 dist 5.33967 5.93561 7.49425 14.949 9.77497 15.7676 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 6.17349 9.21978 11.044 6.86762 7.69765 9.42082 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 9.21978 6.17349 11.044 10.3475 6.39384 13.4105 numMergedOcc 0
35 mol 115 unq 2 iso 0 dist 9.21978 6.17349 11.044 6.86762 9.42082 7.69765 numMergedOcc 0
36 mol 129 unq 0 iso 0 dist 8.4375 8.62413 5.94312 5.57978 6.69691 5.51197 numMergedOcc 0
37 mol 129 unq 1 iso 0 dist 8.4375 6.93102 5.35495 5.57978 6.69691 8.86944 numMergedOcc 0
38 mol 129 unq 2 iso 0 dist 8.62413 8.4375 5.94312 5.57978 5.51197 6.69691 numMergedOcc 0
39 mol 129 unq 3 iso 0 dist 8.62413 6.93102 9.74141 5.57978 5.51197 8.86944 numMergedOcc 0
40 mol 129 unq 4 iso 0 dist 6.93102 8.62413 9.74141 5.57978 8.86944 5.51197 numMergedOcc 0
41 mol 129 unq 5 iso 0 dist 6.93102 8.4375 5.35495 5.57978 8.86944 6.69691 numMergedOcc 0
42 mol 184 unq 0 iso 0 dist 8.0343 9.55112 3.4464 6.40529 9.90822 10.9412 numMergedOcc 0
43 mol 213 unq 0 iso 0 dist 5.81317 9.27411 3.48075 5.69131 7.94911 10.5818 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 8.79662 6.6497 4.79329 13.3218 7.48954 12.0028 numMergedOcc 0
45 mol 243 unq 0 iso 0 dist 9.49016 8.92798 6.26616 6.50608 8.69318 11.4025 numMergedOcc 0
46 mol 251 unq 0 iso 0 dist 7.96982 8.99048 3.63976 4.34197 7.39775 6.50357 numMergedOcc 0
47 mol 251 unq 1 iso 0 dist 8.99048 7.96982 3.63976 6.30024 9.82601 10.322 numMergedOcc 0
48 mol 251 unq 2 iso 0 dist 8.99048 7.96982 3.63976 4.34197 6.50357 7.39775 numMergedOcc 0
49 mol 292 unq 0 iso 0 dist 9.65996 9.13412 4.99426 6.39438 9.74118 11.3379 numMergedOcc 0
50 mol 292 unq 1 iso 0 dist 9.13412 9.65996 4.99426 14.0055 9.46442 14.4052 numMergedOcc 0
