0 mol 9 unq 0 iso 0 dist 8.46229 7.84963 10.2545 9.93406 7.32257 9.77636 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 12.1061 8.4051 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 8.6586 6.7846 6.53276 8.23446 7.8619 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.54519 8.6586 6.7846 6.81998 8.75662 11.0098 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.1599 6.35779 5.9487 7.46975 4.74544 8.21895 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.8809 5.75135 10.8149 7.30649 9.97775 10.9816 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.4545 7.29864 11.3522 12.49 8.18107 18.22 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.4545 7.29864 11.3522 4.1125 5.9465 9.82998 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 8.4545 7.7399 12.2908 12.49 8.18107 14.7203 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 8.4545 7.7399 12.2908 4.1125 5.9465 6.89071 numMergedOcc 0
10 mol 92 unq 4 iso 0 dist 7.01176 7.29864 10.0591 12.49 9.8859 18.22 numMergedOcc 0
11 mol 92 unq 5 iso 0 dist 7.01176 7.29864 10.0591 4.1125 6.97962 9.82998 numMergedOcc 0
12 mol 92 unq 6 iso 0 dist 7.01176 7.7399 13.6054 12.49 9.8859 14.7203 numMergedOcc 0
13 mol 92 unq 7 iso 0 dist 7.01176 7.7399 13.6054 4.1125 6.97962 6.89071 numMergedOcc 0
14 mol 92 unq 8 iso 0 dist 7.5819 7.33353 10.3949 4.00923 7.52354 10.0287 numMergedOcc 0
15 mol 92 unq 9 iso 0 dist 7.5819 8.55622 9.61344 4.00923 7.52354 11.445 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.9747 9.68556 13.6536 7.43001 6.65501 16.876 numMergedOcc 0
17 mol 101 unq 0 iso 0 dist 5.22543 6.67863 6.2696 5.08458 6.98314 9.44645 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.35636 7.39028 4.56372 9.74143 7.02927 5.54226 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 8.35636 7.39028 4.56372 9.51381 6.60933 10.3411 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 11.2266 8.8822 9.34113 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 8.89481 9.86767 13.0914 9.01097 9.66219 5.35711 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 6.38163 7.04904 10.3933 7.03404 6.28565 8.98175 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 6.38163 7.04904 10.3933 4.92611 7.58957 11.6264 numMergedOcc 0
24 mol 129 unq 2 iso 0 dist 6.38163 5.06053 9.27274 7.03404 6.28565 9.41849 numMergedOcc 0
25 mol 129 unq 3 iso 0 dist 6.38163 5.06053 9.27274 4.92611 7.58957 9.93115 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.3894 4.82356 6.12885 11.5759 6.66772 10.218 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 9.50322 8.52036 10.3893 16.7326 9.22232 15.8934 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 9.50322 8.52036 10.3893 10.2948 9.22661 11.4123 numMergedOcc 0
29 mol 133 unq 3 iso 0 dist 9.50322 8.52036 10.3893 11.6924 7.56378 15.4707 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 6.07091 7.06555 10.0225 4.98945 9.61462 10.2367 numMergedOcc 0
31 mol 176 unq 0 iso 0 dist 7.30954 8.51811 5.02061 13.8868 7.33273 11.3115 numMergedOcc 0
32 mol 176 unq 1 iso 0 dist 7.30954 7.26558 6.40668 13.8868 7.33273 13.2742 numMergedOcc 0
33 mol 180 unq 0 iso 0 dist 9.88732 7.58661 4.38407 10.6052 5.85827 9.14663 numMergedOcc 0
34 mol 180 unq 1 iso 0 dist 9.88732 6.53993 9.89998 10.6052 5.85827 13.5342 numMergedOcc 0
35 mol 180 unq 2 iso 0 dist 5.77949 5.81023 4.38407 5.62869 5.85827 9.14663 numMergedOcc 0
36 mol 180 unq 3 iso 0 dist 5.77949 8.4285 9.89998 5.62869 5.85827 13.5342 numMergedOcc 0
37 mol 180 unq 4 iso 0 dist 8.68403 7.80553 4.38407 8.39191 5.85827 9.14663 numMergedOcc 0
38 mol 180 unq 5 iso 0 dist 8.68403 8.39019 9.89998 8.39191 5.85827 13.5342 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 7.70279 9.67243 4.14873 6.36084 8.50102 11.6437 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 9.29752 9.67243 5.61663 6.36084 9.40808 11.6437 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 6.44212 5.17335 4.61469 8.28901 8.84636 11.637 numMergedOcc 0
42 mol 241 unq 0 iso 0 dist 9.10633 8.49869 4.07839 4.85571 7.89524 8.73192 numMergedOcc 0
43 mol 244 unq 0 iso 0 dist 7.65388 5.16859 9.54706 4.38246 5.50492 6.10489 numMergedOcc 0
44 mol 244 unq 1 iso 0 dist 7.65388 4.79207 4.06591 4.38246 5.50492 4.4204 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 6.55855 9.82713 4.60007 6.70266 9.45514 13.9254 numMergedOcc 0
46 mol 274 unq 1 iso 0 dist 6.55855 9.82713 4.60007 5.15747 6.39866 8.09181 numMergedOcc 0
47 mol 274 unq 2 iso 0 dist 9.52894 9.82713 10.9558 6.70266 7.1729 13.9254 numMergedOcc 0
