0 mol 76 unq 0 iso 0 dist 9.225 8.41567 6.80777 7.5192 11.3094 6.21982 5.56964 9.95835 10.2879 8.19682 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 9.225 5.56964 9.95835 7.5192 11.3094 8.19682 8.41567 6.80777 10.2879 6.21982 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 5.37449 6.62246 4.80624 9.82998 10.6345 6.21982 12.885 14.1154 10.2879 8.19682 numMergedOcc 0
3 mol 76 unq 3 iso 0 dist 9.52666 6.62246 6.80777 9.82998 11.3094 6.21982 12.885 9.95835 10.2879 8.19682 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.09751 5.70279 11.3776 11.8754 16.8739 7.75343 11.3277 17.0696 5.88134 6.58204 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.67941 7.23973 4.26125 5.27409 9.33819 7.12609 12.9623 12.8158 8.66412 8.68821 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.47253 8.97043 10.1455 7.266 13.8651 9.66954 12.9647 14.6132 7.69052 8.66155 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.00896 6.54987 4.8408 6.63186 10.5922 7.77454 10.9185 12.0992 7.93571 8.94837 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 6.55217 9.68229 12.2163 5.35291 10.8779 6.95323 12.1011 16.9021 6.43459 7.27371 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 7.21686 9.68229 9.18193 5.35291 10.246 6.95323 12.1011 14.4543 6.43459 7.27371 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 6.79302 12.5457 7.36102 13.3396 17.5523 10.7616 7.39644 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 6.72105 8.89211 10.8978 6.12197 9.94653 7.07392 11.7774 10.9318 4.96364 9.62952 numMergedOcc 0
12 mol 232 unq 1 iso 0 dist 7.96569 8.89211 10.4487 6.12197 7.97572 7.07392 11.7774 9.66136 4.96364 9.62952 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 10.761 14.6928 9.90142 8.96639 10.5857 5.40359 5.9216 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 5.77828 8.96639 10.5857 12.8735 17.3301 9.68513 12.6253 14.6188 10.1648 9.29858 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 5.77828 8.96639 10.5857 10.761 14.6928 5.9216 5.67917 5.65008 5.40359 9.90142 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 7.75366 4.87108 10.3683 5.61491 10.8592 7.49471 7.64276 10.313 5.34096 7.19008 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 7.75366 7.64276 10.313 13.9044 16.4925 6.55759 11.4704 14.0766 5.42006 5.38637 numMergedOcc 0
18 mol 238 unq 5 iso 0 dist 7.75366 7.64276 10.313 13.3748 14.4244 7.02475 15.4736 17.8661 12.9854 8.96531 numMergedOcc 0
19 mol 238 unq 6 iso 0 dist 7.75366 7.64276 10.313 5.61491 10.8592 7.19008 4.87108 10.3683 5.34096 7.49471 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 5.70674 7.72708 9.37444 6.94174 12.4226 8.96876 11.455 14.2876 8.34718 8.83735 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 9.92947 5.98967 4.85574 6.25507 9.92048 5.24676 13.8383 12.3623 9.92128 8.09363 numMergedOcc 0
