0 mol 1 unq 0 iso 0 dist 9.44115 5.65716 8.78328 4.36042 11.9816 8.26708 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.44115 5.65716 8.78328 6.44928 8.56884 6.09918 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.95341 9.93613 10.4204 11.7623 6.33889 9.78006 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.62693 6.73259 4.80984 4.09495 9.16962 5.69955 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.62693 6.73259 4.80984 8.18809 10.9838 8.6385 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.96057 5.82501 10.4498 7.6321 13.3175 9.7918 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 9.78437 5.82501 7.27945 7.6321 6.96442 9.7918 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.73897 6.0733 6.30647 4.58263 11.1745 8.56003 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.8769 6.4752 11.6681 8.95179 16.7359 5.49226 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 9.8769 6.4752 11.6681 10.5583 15.8772 6.28351 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 8.07915 5.06687 11.4939 5.59872 12.147 9.02318 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 8.07915 5.06687 11.4939 9.27313 16.6325 9.74542 numMergedOcc 0
12 mol 148 unq 2 iso 0 dist 8.07915 5.06687 11.4939 8.61198 16.1903 7.97543 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 7.97801 5.09809 11.3672 9.25213 16.5696 9.6606 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 7.97801 5.09809 11.3672 8.68422 16.1619 7.85526 numMergedOcc 0
15 mol 150 unq 2 iso 0 dist 7.97801 5.09809 11.3672 5.56996 12.1526 8.94552 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 8.70104 5.80513 9.79955 4.12904 12.4589 8.38738 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.52171 7.47107 6.8278 10.2633 6.47873 6.26839 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.52171 7.47107 6.8278 9.36943 11.6993 8.12346 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 7.52171 7.47107 6.8278 7.72655 11.9484 8.83356 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 7.52171 7.47107 6.8278 4.57265 8.38695 8.2654 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 6.289 7.47107 7.69247 10.2633 12.1599 6.26839 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 6.289 7.47107 7.69247 9.36943 13.8412 8.12346 numMergedOcc 0
23 mol 194 unq 6 iso 0 dist 6.289 7.47107 7.69247 7.72655 5.48258 8.83356 numMergedOcc 0
24 mol 194 unq 7 iso 0 dist 6.289 7.47107 7.69247 4.57265 10.3975 8.2654 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 6.87234 7.31388 13.7321 3.84723 10.1086 5.37446 numMergedOcc 0
26 mol 210 unq 1 iso 0 dist 8.72017 7.31388 13.22 3.84723 12.1564 5.37446 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 8.42382 8.12518 5.23507 12.3465 13.4493 8.38865 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 8.42382 8.12518 5.23507 7.2593 9.62609 5.4694 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 6.98151 8.38439 11.6774 4.15973 5.34718 8.50331 numMergedOcc 0
