0 mol 41 unq 0 iso 0 dist 8.66014 10.646 7.99312 8.23709 9.17982 4.11117 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 8.66014 10.646 7.99312 13.5434 9.62869 4.77073 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 8.66014 10.646 7.99312 6.26042 6.40219 6.69486 numMergedOcc 0
3 mol 41 unq 3 iso 0 dist 8.66014 7.13416 8.2183 8.23709 9.17982 4.81484 numMergedOcc 0
4 mol 41 unq 4 iso 0 dist 8.66014 7.13416 8.2183 13.5434 9.62869 7.03449 numMergedOcc 0
5 mol 41 unq 5 iso 0 dist 8.66014 7.13416 8.2183 6.26042 6.40219 7.02983 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 7.60252 7.54416 8.8178 8.5416 4.86198 5.21565 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 7.60252 9.89539 9.96708 8.5416 4.86198 10.7434 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.83265 6.69737 8.70481 12.8736 7.37171 15.1432 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 6.89004 11.5995 9.36773 5.43825 9.07128 10.8406 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 6.89004 11.5995 9.36773 9.10065 6.65615 4.47193 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.79958 8.55171 9.33898 14.8978 8.85601 17.4771 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.79958 8.36426 9.64443 14.8978 8.85601 10.2467 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 9.18852 16.05 9.33898 4.82627 8.85601 17.4771 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 9.18852 5.89198 9.64443 4.82627 8.85601 10.2467 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 5.94669 5.89212 8.37808 8.69407 4.42563 7.90729 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 6.65519 4.88092 6.85062 13.7026 8.80895 11.6692 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 8.54009 4.98777 7.7059 4.26484 5.77186 6.85721 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 6.78537 9.45246 7.7366 3.817 4.51255 7.83734 numMergedOcc 0
19 mol 231 unq 0 iso 0 dist 6.52115 12.4148 7.37839 4.16638 9.9868 16.456 numMergedOcc 0
20 mol 231 unq 1 iso 0 dist 6.52115 12.4148 7.37839 9.07594 7.3268 6.63423 numMergedOcc 0
21 mol 231 unq 2 iso 0 dist 6.52115 14.0894 8.40182 4.16638 9.9868 17.7601 numMergedOcc 0
22 mol 231 unq 3 iso 0 dist 6.52115 14.0894 8.40182 9.07594 7.3268 10.3815 numMergedOcc 0
23 mol 231 unq 4 iso 0 dist 9.88437 5.20569 7.37839 16.412 9.9868 16.456 numMergedOcc 0
24 mol 231 unq 5 iso 0 dist 9.88437 5.20569 7.37839 5.78736 7.3268 6.63423 numMergedOcc 0
25 mol 231 unq 6 iso 0 dist 9.88437 8.35245 8.40182 16.412 9.9868 17.7601 numMergedOcc 0
26 mol 231 unq 7 iso 0 dist 9.88437 8.35245 8.40182 5.78736 7.3268 10.3815 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.61945 9.21781 9.7748 12.3675 4.9764 11.8607 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.61945 9.21781 9.7748 13.8357 6.36559 10.9137 numMergedOcc 0
