0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 4.31895 7.28761 4.10356 10.2037 8.02814 7.71924 5.92844 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.27044 12.456 7.58027 6.73631 9.8821 11.6826 18.4312 9.96367 8.4438 16.5585 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.98208 12.456 4.34694 6.73631 8.80003 11.6826 18.4312 9.65371 8.4438 16.5585 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.73093 12.3943 7.48556 12.2641 8.61566 10.5152 13.118 4.97519 5.92936 10.8908 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.73093 12.3943 7.48556 5.3163 5.02942 9.39279 13.118 4.97519 5.92936 9.5693 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 8.02104 9.57143 7.48556 11.4792 8.61566 10.5152 11.5539 4.97519 5.92936 10.8908 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 8.02104 9.57143 7.48556 5.18759 5.02942 9.39279 11.5539 4.97519 5.92936 9.5693 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 3.46142 9.68809 13.6126 11.3418 4.84565 9.6874 12.2822 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 8.84312 8.79758 10.1247 11.946 10.9312 7.07348 15.0946 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 8.20121 10.242 6.86212 7.38933 7.85744 4.72814 12.5372 8.83633 7.60912 7.2108 numMergedOcc 0
10 mol 159 unq 1 iso 0 dist 7.52779 10.242 9.9368 7.2995 7.67418 13.464 12.5372 13.4546 7.60912 18.3295 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 6.28957 5.44954 7.20545 5.88294 9.26916 10.5008 12.7444 9.97915 9.82329 14.5787 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 7.34285 9.15105 7.20545 3.50968 9.26916 10.5008 14.7796 9.97915 9.82329 14.5787 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 10.9895 8.11956 11.4764 9.89709 6.12748 7.02662 13.8683 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 15.5077 5.90008 7.71442 7.252 5.21255 7.30965 10.7624 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 4.53228 6.54316 7.58554 13.1778 9.90442 10.7751 8.68803 5.94643 9.59937 6.71734 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 8.54078 6.2497 7.58554 15.589 9.90442 10.7751 13.3402 5.94643 9.59937 6.71734 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 16.1506 9.96942 16.3701 10.0039 13.1376 9.63694 22.39 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 7.3055 6.1113 6.57444 16.1506 9.96942 16.3701 10.8326 5.91091 6.58277 12.4802 numMergedOcc 0
19 mol 266 unq 2 iso 0 dist 7.3055 14.487 9.39714 16.1506 9.96942 8.85331 10.8326 5.91091 8.12204 12.4802 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 6.91029 5.64983 6.02879 5.59076 9.85536 10.1193 10.5115 5.40861 8.26333 11.7448 numMergedOcc 0
