0 mol 39 unq 0 iso 0 dist 9.45639 8.83903 7.45237 5.34459 8.70192 10.5834 15.6072 9.26784 8.94353 17.0626 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 9.45639 8.83903 7.45237 5.34459 8.70192 10.5834 15.2427 10.2083 7.30265 14.8778 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 5.00126 5.92759 7.45237 7.71511 8.70192 10.5834 10.3071 9.26784 8.94353 17.0626 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 5.00126 5.92759 7.45237 7.71511 8.70192 10.5834 11.9824 10.2083 7.30265 14.8778 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 8.89611 7.12321 9.88768 15.7694 10.0679 9.37102 13.1318 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 6.68311 13.1473 6.77912 8.89611 7.12321 9.88768 12.0518 5.69391 5.4605 10.6668 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 6.68311 13.1473 6.77912 8.89611 7.12321 9.88768 9.26417 4.03844 6.53824 10.9996 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 6.7212 5.00053 7.321 11.1406 9.55118 6.74416 8.16985 7.47371 9.14817 10.6668 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 6.7212 5.00053 7.321 11.1406 9.55118 6.74416 7.81344 9.67587 9.76686 12.6707 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 6.7212 5.00053 7.321 11.1406 9.55118 6.74416 5.49421 7.07356 9.437 13.7925 numMergedOcc 0
10 mol 72 unq 6 iso 0 dist 6.7212 5.00053 7.321 8.28664 9.10345 5.63793 8.16985 7.47371 9.14817 13.9797 numMergedOcc 0
11 mol 72 unq 7 iso 0 dist 6.7212 5.00053 7.321 8.28664 9.10345 5.63793 7.81344 9.67587 9.76686 14.9302 numMergedOcc 0
12 mol 72 unq 8 iso 0 dist 6.7212 5.00053 7.321 8.28664 9.10345 5.63793 5.49421 7.07356 9.437 13.1216 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 6.65453 6.72869 4.00608 13.3552 5.31985 9.4866 9.59729 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 6.65453 9.85905 4.00608 13.3552 15.4159 9.4866 9.59729 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 7.15288 6.72869 4.00608 8.8326 5.31985 9.4866 9.59729 numMergedOcc 0
16 mol 86 unq 0 iso 0 dist 8.40609 6.82648 7.79359 4.74546 7.90423 9.49725 10.6594 5.9022 5.88159 12.1672 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 10.5361 7.07971 5.15674 7.22752 6.35679 8.38791 12.0841 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.97043 11.6637 7.64585 7.34308 6.39384 5.65471 13.829 6.95773 7.65255 7.65564 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 7.0318 5.70073 6.62561 7.5937 6.10127 6.95589 11.6159 7.20875 9.94053 12.9113 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.3705 12.124 8.36117 4.29894 9.03441 9.33403 12.5713 6.04871 5.87439 11.3524 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 8.3705 6.91511 6.77578 4.29894 9.03441 4.191 12.5713 6.04871 8.18059 11.3524 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 5.19262 5.23634 4.09934 10.4038 4.1511 7.79951 6.09335 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.64276 13.9044 6.55759 4.48114 9.12776 15.4844 14.8333 10.4966 9.38131 15.1027 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.64276 13.3748 7.02475 4.48114 9.12776 13.037 14.8333 10.4966 6.85253 15.1027 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.64276 11.6924 7.67322 4.48114 9.12776 9.75095 5.41453 5.71717 7.39547 4.66186 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.64276 5.61491 7.19008 4.48114 9.12776 6.12722 10.7584 11.0772 5.43613 9.51483 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 7.64276 5.61491 7.19008 4.48114 9.12776 6.12722 5.41453 5.71717 7.24334 4.66186 numMergedOcc 0
