0 mol 20 unq 0 iso 0 dist 9.44151 7.5037 7.11633 13.186 10.6981 7.6974 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 12.0896 6.7846 8.6586 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.54885 5.08675 6.89136 11.9875 3.98709 8.97566 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.54885 5.08675 6.89136 12.6013 10.394 8.81085 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 3.68549 5.06613 5.5814 8.15347 6.61952 5.80534 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.27156 8.33049 8.1599 8.32519 5.9487 6.35779 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.27307 5.10938 5.47319 5.38363 8.67853 5.75135 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 6.92837 5.10938 9.8809 5.38363 10.8149 5.75135 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.96446 5.27016 8.4545 4.96173 11.3522 7.29864 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.96446 5.27016 8.4545 12.4588 12.2908 7.7399 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 6.70686 5.27016 7.01176 4.96173 10.0591 7.29864 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 6.70686 5.27016 7.01176 12.4588 13.6054 7.7399 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 16.7704 13.6536 9.68556 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 7.54969 12.9828 5.9747 18.2105 13.6536 9.68556 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 5.06555 8.75149 7.04864 8.34958 3.35803 8.03124 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 8.3127 3.56535 8.01677 4.26814 4.48309 5.38983 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.94179 11.088 9.3894 11.7708 6.12885 4.82356 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.66715 13.3005 9.50322 13.1409 10.3893 8.52036 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 9.00172 13.3005 5.82404 13.1409 11.323 8.52036 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 8.95433 15.4773 9.50322 18.8125 10.3893 8.52036 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 7.34207 9.95968 6.23399 13.9337 10.3287 6.12278 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 8.78509 13.7707 7.30954 12.9973 5.02061 8.51811 numMergedOcc 0
22 mol 176 unq 1 iso 0 dist 8.78509 13.7707 7.30954 13.811 6.40668 7.26558 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 9.23836 13.7266 6.25429 21.0333 12.1426 8.3151 numMergedOcc 0
24 mol 196 unq 1 iso 0 dist 9.79271 9.31621 9.99314 12.085 10.3492 6.10505 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 6.45574 9.7911 8.48065 8.28824 4.75609 8.1174 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 8.14407 10.656 8.48065 11.7046 4.75609 8.1174 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 9.0495 4.61469 5.17335 numMergedOcc 0
28 mol 241 unq 0 iso 0 dist 8.23536 9.23513 9.10633 10.1317 4.07839 8.49869 numMergedOcc 0
29 mol 241 unq 1 iso 0 dist 6.90245 3.92006 9.10633 7.65636 4.07839 8.49869 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 8.49415 8.73438 9.772 5.44039 7.71667 5.8898 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 7.23956 12.7088 9.29635 13.087 7.75371 5.11998 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 7.23956 12.7088 9.29635 15.8468 11.3546 5.79925 numMergedOcc 0
