0 mol 25 unq 0 iso 0 dist 6.90155 9.48085 13.7717 4.79873 6.86525 12.7147 10.9391 17.3821 9.49421 12.3944 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.6492 9.49421 11.7199 7.52933 7.41888 16.0628 10.9391 16.357 9.48085 16.4232 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 6.6492 9.49421 11.7199 6.55597 8.89681 12.1732 10.9391 16.357 9.48085 11.037 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 6.6492 9.49421 11.7199 9.71956 6.97709 8.99147 10.9391 16.357 9.48085 14.581 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 6.6492 9.49421 11.7199 7.07751 5.5511 9.54872 10.9391 16.357 9.48085 13.0315 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 6.6492 9.49421 11.7199 8.23761 4.38027 14.6175 10.9391 16.357 9.48085 17.2964 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.82176 7.48086 5.71764 9.95132 12.9345 8.42811 6.54743 10.0962 7.57295 12.544 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.82176 7.48086 5.71764 9.95132 12.9345 8.42811 5.00018 7.55695 8.4312 14.0656 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 6.08682 4.75954 5.30471 8.07446 5.16364 5.61588 7.83244 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 5.5087 5.50891 5.30471 8.07446 5.16364 7.83244 5.61588 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.16364 5.61588 5.50891 8.72682 5.56296 9.76138 8.07446 8.85586 5.5087 10.2939 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.16364 5.61588 5.50891 6.45841 6.69436 3.32668 8.07446 8.85586 5.5087 8.62198 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 5.16364 5.61588 5.50891 7.83244 4.75954 5.30471 8.07446 8.85586 5.5087 6.08682 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 5.16364 7.83244 4.75954 8.72682 5.56296 5.81659 8.07446 8.85586 6.08682 10.2939 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 5.16364 7.83244 4.75954 6.45841 6.69436 8.07648 8.07446 8.85586 6.08682 8.62198 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 5.16364 7.83244 4.75954 5.61588 5.50891 5.30471 8.07446 8.85586 6.08682 5.5087 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 7.11 5.5087 7.50869 6.08682 3.6807 5.30471 8.07446 11.2874 5.61588 7.83244 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 7.11 6.08682 3.6807 5.5087 7.50869 5.30471 8.07446 11.2874 7.83244 5.61588 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 8.73253 7.4369 7.8972 8.68662 10.9746 3.30399 5.4148 7.04044 9.73086 12.2276 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 9.39168 4.4941 6.38762 4.8896 6.47042 8.47988 8.0427 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 6.78038 9.39168 4.4941 9.02706 8.90959 6.38762 4.8896 6.47042 8.0427 8.47988 numMergedOcc 0
21 mol 112 unq 2 iso 0 dist 6.47042 8.47988 8.90959 8.0427 4.4941 6.38762 4.8896 6.78038 9.02706 9.39168 numMergedOcc 0
22 mol 112 unq 3 iso 0 dist 6.47042 8.0427 4.4941 8.47988 8.90959 6.38762 4.8896 6.78038 9.39168 9.02706 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 7.69765 7.27912 11.044 7.69052 10.9734 6.39384 13.4105 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 9.17106 7.81207 9.38687 7.18002 11.093 13.4681 5.32922 12.432 6.14151 10.7696 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 8.9192 7.11377 3.55572 7.65448 8.28642 6.70693 9.27706 numMergedOcc 0
26 mol 207 unq 0 iso 0 dist 8.85547 6.0563 5.34897 5.12567 5.34977 6.07936 5.99308 14.1583 9.98372 10.4761 numMergedOcc 0
27 mol 207 unq 1 iso 0 dist 8.85547 6.0563 5.34897 8.1244 9.86978 4.66347 5.99308 14.1583 9.98372 9.1528 numMergedOcc 0
28 mol 207 unq 2 iso 0 dist 8.85547 8.1244 9.86978 5.12567 5.34977 10.1734 5.99308 14.1583 9.1528 10.4761 numMergedOcc 0
29 mol 207 unq 3 iso 0 dist 8.85547 8.1244 9.86978 6.0563 5.34897 4.66347 5.99308 14.1583 9.1528 9.98372 numMergedOcc 0
30 mol 207 unq 4 iso 0 dist 7.96797 6.0563 7.64813 5.12567 5.47626 6.07936 5.99308 13.9435 9.98372 10.4761 numMergedOcc 0
31 mol 207 unq 5 iso 0 dist 7.96797 6.0563 7.64813 8.1244 11.9725 4.66347 5.99308 13.9435 9.98372 9.1528 numMergedOcc 0
32 mol 207 unq 6 iso 0 dist 7.96797 8.1244 11.9725 5.12567 5.47626 10.1734 5.99308 13.9435 9.1528 10.4761 numMergedOcc 0
33 mol 207 unq 7 iso 0 dist 7.96797 8.1244 11.9725 6.0563 7.64813 4.66347 5.99308 13.9435 9.1528 9.98372 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 9.09424 5.94765 8.05944 13.3965 11.5332 8.1945 14.7849 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 8.14831 11.2847 13.7858 13.3965 11.5332 8.1945 21.1757 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 5.52379 6.99888 5.63944 9.07475 6.50998 3.46869 10.1813 11.9624 9.08509 12.47 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 6.95511 9.55426 3.51848 9.98105 8.59697 6.9899 10.4017 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 8.55558 6.95511 9.55426 5.85442 7.32929 3.51848 6.96053 10.5803 9.46361 10.3406 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 8.59697 6.9899 7.32929 8.03219 4.67584 8.0048 9.98105 8.55558 5.85442 11.7465 numMergedOcc 0
