0 mol 11 unq 0 iso 0 dist 6.20956 5.59847 6.74026 4.4067 6.09937 9.32171 13.2938 9.94905 9.89425 14.8738 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.45965 8.44727 3.91445 6.54236 8.02671 11.743 4.86477 6.09533 9.46349 3.06597 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.67226 8.98326 4.76485 9.00405 7.17695 4.36087 7.86889 9.33207 7.09639 3.39356 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 8.67226 8.98326 4.76485 7.86889 9.33207 7.09639 9.00405 7.17695 4.36087 3.39356 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.073 6.09085 6.4113 11.023 8.18214 5.64092 8.24064 14.5952 8.71074 12.8321 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 4.45006 7.49235 3.91263 7.76629 5.10693 6.67678 8.52218 6.58814 7.24956 2.81832 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 4.45006 7.49235 3.91263 7.76629 5.10693 6.67678 3.83191 6.13459 8.28591 10.7776 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 4.45006 7.49235 3.91263 7.76629 5.10693 6.67678 3.77555 7.54391 9.40687 10.4844 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 4.45006 7.49235 3.91263 8.52218 6.58814 7.24956 7.76629 5.10693 6.67678 2.81832 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 4.45006 7.49235 3.91263 8.52218 6.58814 7.24956 3.83191 6.13459 8.28591 11.7564 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 4.45006 7.49235 3.91263 8.52218 6.58814 7.24956 3.77555 7.54391 9.40687 10.3262 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 4.45006 7.49235 3.91263 3.83191 6.13459 8.28591 7.76629 5.10693 6.67678 10.7776 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 4.45006 7.49235 3.91263 3.83191 6.13459 8.28591 8.52218 6.58814 7.24956 11.7564 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 4.45006 7.49235 3.91263 3.83191 6.13459 8.28591 3.77555 7.54391 9.40687 5.02964 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 4.45006 7.49235 3.91263 3.77555 7.54391 9.40687 7.76629 5.10693 6.67678 10.4844 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 4.45006 7.49235 3.91263 3.77555 7.54391 9.40687 8.52218 6.58814 7.24956 10.3262 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 4.45006 7.49235 3.91263 3.77555 7.54391 9.40687 3.83191 6.13459 8.28591 5.02964 numMergedOcc 0
17 mol 93 unq 12 iso 0 dist 4.45006 7.19431 5.59024 7.76629 5.10693 10.4903 3.83191 6.13459 5.35008 10.7776 numMergedOcc 0
18 mol 93 unq 13 iso 0 dist 4.45006 7.19431 5.59024 7.76629 5.10693 10.4903 3.77555 7.54391 8.84576 10.4844 numMergedOcc 0
19 mol 93 unq 14 iso 0 dist 4.45006 7.19431 5.59024 8.52218 6.58814 11.5899 3.83191 6.13459 5.35008 11.7564 numMergedOcc 0
20 mol 93 unq 15 iso 0 dist 4.45006 7.19431 5.59024 8.52218 6.58814 11.5899 3.77555 7.54391 8.84576 10.3262 numMergedOcc 0
21 mol 93 unq 16 iso 0 dist 4.45006 7.19431 5.59024 3.83191 6.13459 5.35008 3.77555 7.54391 8.84576 5.02964 numMergedOcc 0
22 mol 93 unq 17 iso 0 dist 4.45006 7.19431 5.59024 3.77555 7.54391 8.84576 3.83191 6.13459 5.35008 5.02964 numMergedOcc 0
23 mol 154 unq 0 iso 0 dist 9.71025 8.59532 7.4198 5.71332 8.26128 10.4142 11.1637 14.5259 7.47401 14.1715 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 9.19569 8.89822 7.0638 12.9917 9.58901 4.11374 12.2955 12.3909 8.37602 9.48187 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 6.22466 8.9388 3.6848 9.09753 6.99587 9.17458 6.7472 4.37577 7.36794 3.09727 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 6.22466 8.9388 3.6848 6.7472 4.37577 7.36794 9.09753 6.99587 9.17458 3.09727 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 7.46 6.19564 6.73886 8.71923 7.88108 11.5762 9.96926 9.46576 7.49606 9.93488 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 5.77107 7.12723 8.02755 5.32175 5.28731 11.2031 8.32005 10.1649 4.27826 11.9982 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 5.77107 7.12723 8.02755 5.32175 5.28731 11.2031 7.07384 11.3128 5.82074 11.9803 numMergedOcc 0
