0 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 12.4917 8.25132 13.6027 5.84066 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 13.1473 6.77912 12.0644 15.7694 10.0679 16.89 9.37102 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 6.68311 8.1124 8.8178 13.1473 6.77912 12.0644 12.0518 5.69391 13.6019 5.4605 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 6.68311 8.1124 8.8178 13.1473 6.77912 12.0644 9.26417 4.03844 12.4827 6.53824 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 15.7694 10.0679 10.7102 9.37102 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 12.0518 5.69391 9.55118 5.4605 numMergedOcc 0
6 mol 72 unq 5 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 9.26417 4.03844 12.111 6.53824 numMergedOcc 0
7 mol 72 unq 6 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 8.16985 7.47371 7.12321 9.14817 numMergedOcc 0
8 mol 72 unq 7 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 7.81344 9.67587 9.35457 9.76686 numMergedOcc 0
9 mol 72 unq 8 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 5.49421 7.07356 12.1131 9.437 numMergedOcc 0
10 mol 72 unq 9 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 8.16985 7.47371 6.21799 9.14817 numMergedOcc 0
11 mol 72 unq 10 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 7.81344 9.67587 5.03251 9.76686 numMergedOcc 0
12 mol 72 unq 11 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 5.49421 7.07356 7.66093 9.437 numMergedOcc 0
13 mol 86 unq 0 iso 0 dist 8.40609 9.54732 9.5497 6.82648 7.79359 9.68893 10.6594 5.9022 12.2025 5.88159 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 5.38332 5.87358 9.46098 7.22752 6.35679 14.6042 8.38791 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 11.6637 7.64585 10.2377 13.829 6.95773 6.24825 7.65255 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 11.6637 7.64585 10.8939 13.829 6.95773 10.0255 7.65255 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 5.70073 6.62561 11.3679 11.6159 7.20875 16.804 9.94053 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 11.6159 7.20875 8.84018 9.94053 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 6.88175 6.9194 12.31 6.55202 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 14.8889 9.68677 7.64052 9.08536 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 7.441 9.38946 12.8482 8.14405 4.91785 8.97626 7.29911 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 5.68636 7.92939 6.43582 6.79302 7.36102 8.27726 8.14405 4.91785 8.97626 5.36254 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 10.4038 4.1511 9.91384 7.79951 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 7.35206 8.17891 9.13836 10.4038 4.1511 10.3016 7.79951 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.06422 5.33697 6.57393 5.58989 5.38637 6.20606 14.738 13.378 14.7404 9.38131 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 10.7584 12.7938 9.08509 5.43613 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 5.41453 6.82305 10.1172 7.24334 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 7.64276 7.45873 7.31233 13.9044 6.55759 10.4664 14.8333 10.4966 9.7696 9.38131 numMergedOcc 0
29 mol 238 unq 4 iso 0 dist 7.64276 7.45873 7.31233 13.3748 7.02475 11.2717 14.8333 10.4966 9.7696 6.85253 numMergedOcc 0
30 mol 238 unq 5 iso 0 dist 7.64276 7.45873 7.31233 11.6924 7.67322 12.6986 5.41453 5.71717 10.1172 7.39547 numMergedOcc 0
31 mol 238 unq 6 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 10.7584 11.0772 9.08509 5.43613 numMergedOcc 0
32 mol 238 unq 7 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 5.41453 5.71717 10.1172 7.24334 numMergedOcc 0
33 mol 238 unq 8 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 11.2947 12.7938 9.08509 5.43613 numMergedOcc 0
34 mol 238 unq 9 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 10.6918 6.82305 10.1172 7.24334 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 9.2885 4.04513 8.03219 8.84648 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 10.5384 7.09907 6.9899 6.23661 numMergedOcc 0
