0 mol 10 unq 0 iso 0 dist 8.44792 11.2691 7.30932 9.23608 5.8369 12.6548 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.44792 11.2691 7.30932 11.8998 8.06428 9.80689 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.36836 5.02379 9.48195 5.89139 5.68794 6.40908 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.36836 5.02379 9.48195 10.4748 8.9964 9.41024 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 7.36836 6.25207 7.07773 5.89139 5.68794 9.33491 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 7.36836 6.25207 7.07773 10.4748 8.9964 13.4367 numMergedOcc 0
6 mol 99 unq 0 iso 0 dist 7.80019 11.3288 6.55815 7.57523 9.98601 8.78373 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 6.67863 5.2394 6.54699 6.01775 7.33426 8.01024 numMergedOcc 0
8 mol 101 unq 1 iso 0 dist 6.67863 5.2394 6.54699 12.2942 8.17175 8.67739 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 6.12278 7.0311 8.23311 3.82471 8.76245 5.12312 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 6.12278 5.55349 6.1247 3.82471 8.76245 9.3097 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.00063 5.97401 7.667 4.65845 5.80055 7.66859 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 7.06555 9.44471 6.93017 4.29743 9.73554 9.89828 numMergedOcc 0
13 mol 171 unq 1 iso 0 dist 7.06555 9.44471 6.93017 4.78402 8.65769 11.4926 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.53092 6.65673 7.14918 4.95839 4.44509 4.56036 numMergedOcc 0
15 mol 254 unq 0 iso 0 dist 9.09568 4.80347 8.87934 5.53022 9.672 5.25626 numMergedOcc 0
16 mol 254 unq 1 iso 0 dist 9.09568 9.79133 9.47133 5.53022 9.672 5.12074 numMergedOcc 0
17 mol 254 unq 2 iso 0 dist 9.99168 4.80347 9.66687 5.53022 9.15233 5.25626 numMergedOcc 0
18 mol 254 unq 3 iso 0 dist 9.99168 9.79133 7.61537 5.53022 9.15233 5.12074 numMergedOcc 0
19 mol 254 unq 4 iso 0 dist 7.84221 4.52996 8.87934 9.29698 9.672 5.25626 numMergedOcc 0
20 mol 254 unq 5 iso 0 dist 7.84221 12.3231 9.47133 9.29698 9.672 5.12074 numMergedOcc 0
21 mol 254 unq 6 iso 0 dist 9.67383 4.52996 9.66687 9.29698 9.15233 5.25626 numMergedOcc 0
22 mol 254 unq 7 iso 0 dist 9.67383 12.3231 7.61537 9.29698 9.15233 5.12074 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.60767 8.84737 5.57978 7.45428 6.90511 10.2996 numMergedOcc 0
24 mol 268 unq 0 iso 0 dist 8.6577 5.07611 5.01283 6.35006 5.49906 6.12497 numMergedOcc 0
25 mol 269 unq 0 iso 0 dist 6.72096 5.4659 5.17111 10.1928 9.20068 5.02427 numMergedOcc 0
26 mol 269 unq 1 iso 0 dist 6.72096 12.5683 7.79735 10.1928 9.20068 10.8859 numMergedOcc 0
27 mol 269 unq 2 iso 0 dist 9.18157 11.927 5.17111 16.128 9.20068 5.02427 numMergedOcc 0
28 mol 269 unq 3 iso 0 dist 9.18157 10.2496 7.79735 16.128 9.20068 10.8859 numMergedOcc 0
29 mol 270 unq 0 iso 0 dist 8.76202 9.8347 5.2559 7.74086 9.47295 6.19147 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 9.59195 7.06855 8.36585 8.74583 8.39976 12.0536 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 9.59195 7.06855 8.36585 8.74583 8.39976 12.0536 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 9.59195 7.06855 8.36585 8.74583 8.39976 12.0536 numMergedOcc 0
