0 mol 20 unq 0 iso 0 dist 9.78224 7.61139 6.83335 10.7399 9.39046 13.0023 11.0737 8.19319 13.3543 5.12224 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.78224 6.54552 10.9977 10.7399 9.39046 15.8564 11.0737 8.19319 15.8844 5.12224 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 5.92844 7.71617 6.0516 6.2924 8.94936 11.1362 4.98274 6.34665 5.09702 6.37468 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.23087 6.37273 5.69088 8.66168 9.18809 9.8703 9.2457 6.33905 10.0169 7.50975 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.00779 5.79157 7.31451 6.71593 5.62694 10.2939 4.19129 8.31317 9.94443 6.41115 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.00779 7.91605 8.97954 6.71593 5.62694 5.5087 4.19129 8.31317 8.46627 6.41115 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.00779 6.43707 5.33414 6.71593 5.62694 6.08682 4.19129 8.31317 9.22208 6.41115 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 9.01604 5.60118 11.1523 12.7166 9.13454 14.8434 9.02772 9.78419 12.5441 5.7894 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.07119 9.63281 4.13685 3.97609 8.10448 8.28795 5.81344 9.02925 10.1658 3.87365 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 7.33646 9.17001 5.83338 13.5588 8.82676 11.5667 4.65331 6.81354 10.2526 9.95656 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 7.33646 9.17001 5.83338 11.1351 8.17522 7.79505 4.65331 6.81354 10.2526 8.95351 numMergedOcc 0
11 mol 127 unq 2 iso 0 dist 7.33646 9.17001 5.83338 6.08871 8.14341 7.36199 4.65331 6.81354 10.2526 6.15686 numMergedOcc 0
12 mol 127 unq 3 iso 0 dist 7.33646 9.17001 5.83338 5.35462 6.54744 11.2944 4.65331 6.81354 10.2526 4.89159 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 8.78286 9.11574 15.6048 5.93275 5.62219 14.5757 16.6847 8.96211 24.4605 11.3763 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 6.65093 8.38773 6.08582 10.0509 7.68645 4.33238 5.05436 6.44817 10.8866 11.3569 numMergedOcc 0
15 mol 219 unq 1 iso 0 dist 6.65093 8.38773 6.08582 10.0509 7.68645 4.33238 15.414 9.36547 10.5524 9.13819 numMergedOcc 0
16 mol 219 unq 2 iso 0 dist 6.65093 8.38773 6.08582 5.48556 5.75017 7.83604 5.05436 6.44817 10.8866 4.78402 numMergedOcc 0
17 mol 219 unq 3 iso 0 dist 6.65093 8.38773 6.08582 5.48556 5.75017 7.83604 15.414 9.36547 10.5524 11.6561 numMergedOcc 0
18 mol 219 unq 4 iso 0 dist 6.65093 8.38773 6.08582 10.9246 6.12768 11.734 5.05436 6.44817 10.8866 8.8527 numMergedOcc 0
19 mol 219 unq 5 iso 0 dist 6.65093 8.38773 6.08582 10.9246 6.12768 11.734 15.414 9.36547 10.5524 11.1178 numMergedOcc 0
20 mol 219 unq 6 iso 0 dist 6.65093 8.38773 6.08582 13.5876 7.19159 10.9627 5.05436 6.44817 10.8866 11.4193 numMergedOcc 0
21 mol 219 unq 7 iso 0 dist 6.65093 8.38773 6.08582 13.5876 7.19159 10.9627 15.414 9.36547 10.5524 4.72332 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 5.7378 9.4181 4.24789 5.91336 8.25636 12.138 12.1132 8.47034 9.97688 9.63618 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 5.7378 9.4181 4.24789 5.91336 8.25636 12.138 10.167 8.57491 8.87037 9.82243 numMergedOcc 0
24 mol 283 unq 2 iso 0 dist 7.15632 5.05882 4.24789 12.4228 8.25636 12.138 8.90736 8.47034 9.97688 9.63618 numMergedOcc 0
25 mol 283 unq 3 iso 0 dist 7.15632 5.05882 4.24789 12.4228 8.25636 12.138 5.80649 8.57491 8.87037 9.82243 numMergedOcc 0
