0 mol 4 unq 0 iso 0 dist 8.60134 9.82659 8.68164 7.53929 3.25279 9.80438 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.59847 13.2938 9.89425 9.42607 5.23547 9.07476 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.44727 4.86477 9.46349 6.45965 3.91445 6.09533 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 8.98326 9.00405 4.36087 12.2773 5.6647 8.93826 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 8.98326 9.00405 4.36087 8.67226 4.76485 7.17695 numMergedOcc 0
5 mol 20 unq 2 iso 0 dist 8.98326 7.86889 7.09639 8.67226 4.76485 9.33207 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.09085 11.023 5.64092 9.073 6.4113 8.18214 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.21134 16.036 9.08745 16.6323 11.7024 9.56859 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 7.21134 16.036 9.08745 11.0493 4.69809 5.75135 numMergedOcc 0
9 mol 69 unq 2 iso 0 dist 7.40698 11.2122 9.08745 16.3769 11.7024 9.56859 numMergedOcc 0
10 mol 69 unq 3 iso 0 dist 7.40698 11.2122 9.08745 9.34288 4.69809 5.75135 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 8.56119 9.62606 9.80913 13.7474 10.3854 6.73466 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.49235 7.76629 6.67678 4.45006 3.91263 5.10693 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 7.49235 8.52218 7.24956 4.45006 3.91263 6.58814 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 7.49235 3.83191 8.28591 4.45006 3.91263 6.13459 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 7.49235 3.77555 9.40687 4.45006 3.91263 7.54391 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 7.19431 3.83191 5.35008 4.45006 5.59024 6.13459 numMergedOcc 0
17 mol 93 unq 5 iso 0 dist 7.19431 3.77555 8.84576 4.45006 5.59024 7.54391 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 8.57607 6.56529 4.3439 11.7863 3.60451 7.74924 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 6.1991 6.56529 6.05855 11.7863 8.25253 7.74924 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 5.32773 3.71942 4.30875 12.264 7.09333 9.86767 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 5.30818 3.61063 4.11374 12.1547 7.0638 9.58901 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 9.70796 7.64279 8.93091 8.11268 14.9735 7.33643 numMergedOcc 0
23 mol 169 unq 2 iso 0 dist 8.89822 12.9917 4.11374 9.19569 7.0638 9.58901 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.00537 16.5552 9.17458 10.561 3.6848 6.99587 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.00537 14.3824 7.36794 10.561 3.6848 4.37577 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 8.9388 9.09753 9.17458 6.22466 3.6848 6.99587 numMergedOcc 0
27 mol 186 unq 3 iso 0 dist 8.9388 6.7472 7.36794 6.22466 3.6848 4.37577 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.32553 3.30102 4.97301 8.95136 10.0544 8.87165 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 8.63804 11.3307 8.88902 10.8365 4.91709 4.90656 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 6.95744 3.68745 7.97504 9.27632 5.59638 8.53092 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 6.19564 9.96926 7.49606 7.46 6.73886 9.46576 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 8.34673 13.0591 8.20376 16.8622 10.858 9.35293 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 8.34673 13.0591 8.20376 13.5348 7.54309 7.93375 numMergedOcc 0
