0 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 13.7288 13.1004 9.41098 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.72872 7.72003 7.16132 6.6367 6.91496 9.41463 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.27156 7.751 6.9103 8.32519 5.9487 9.19512 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.9651 4.60844 9.8703 7.51631 10.9724 8.19932 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.27307 5.29207 5.99857 5.38363 8.67853 9.08745 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 6.92837 5.29207 6.9362 5.38363 10.8149 9.08745 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 5.48831 10.6185 9.55118 17.3558 16.024 8.80645 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.86713 12.4753 8.27883 10.575 4.73066 4.3439 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 6.86713 6.52247 5.75428 10.575 4.73066 6.05855 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.85583 10.864 8.47988 8.83567 4.69658 5.92828 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.85583 9.95307 8.0427 8.83567 4.69658 9.1247 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 8.86938 9.50897 8.47988 6.79584 4.69658 5.92828 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 8.86938 11.9673 8.0427 6.79584 4.69658 9.1247 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.31276 6.67639 9.10524 9.21333 14.9489 6.76852 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 5.50687 4.4987 5.35237 9.21333 7.89899 4.94473 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.94541 8.17498 9.00918 9.68601 9.39407 6.76852 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 8.94541 10.9758 7.99477 9.68601 9.39407 4.94473 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 7.30919 6.67639 9.00918 9.21333 9.39407 6.76852 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 7.30919 4.4987 7.99477 9.21333 9.39407 4.94473 numMergedOcc 0
19 mol 139 unq 0 iso 0 dist 5.11962 5.21231 5.80789 10.7437 6.10392 8.83962 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 8.86346 13.5413 7.81207 10.3674 4.05822 5.42679 numMergedOcc 0
21 mol 142 unq 1 iso 0 dist 4.93681 9.85239 7.81207 6.4119 4.05822 5.42679 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 5.21803 4.6728 7.37333 8.7019 4.68369 8.91326 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 5.21803 7.06734 7.45998 8.7019 4.68369 8.33649 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.77347 8.69152 6.61112 16.5666 12.2442 9.17458 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 8.77347 8.69152 6.61112 15.5063 11.7398 7.36794 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 9.52413 6.21482 7.2793 8.86574 4.04122 9.34653 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 9.93754 5.30128 6.50998 8.81424 9.72811 8.74463 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 8.85887 12.6528 9.58916 19.5257 16.639 8.55386 numMergedOcc 0
29 mol 264 unq 1 iso 0 dist 6.65233 6.04707 8.29262 13.9709 11.5587 9.87744 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 9.82717 13.1909 7.80862 11.3313 8.33646 7.73438 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 8.33653 12.4844 7.80862 14.585 8.33646 7.73438 numMergedOcc 0
32 mol 285 unq 2 iso 0 dist 6.44657 7.67857 7.80862 5.93983 8.33646 7.73438 numMergedOcc 0
