0 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 4.10356 5.92844 7.28761 numMergedOcc 0
1 mol 35 unq 0 iso 0 dist 9.81737 5.28675 7.44943 6.17207 13.0791 5.70699 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.92936 7.48556 4.97519 10.5152 10.8908 8.61566 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 5.92936 7.48556 4.97519 9.39279 9.5693 5.02942 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.92936 8.68218 6.87319 5.05394 5.52283 8.40154 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.4438 7.58027 9.96367 11.6826 16.5585 9.8821 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.4438 4.34694 9.65371 11.6826 16.5585 8.80003 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 13.6126 12.2822 9.68809 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 10.1247 15.0946 8.79758 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 7.60912 6.86212 8.83633 4.72814 7.2108 7.85744 numMergedOcc 0
10 mol 159 unq 1 iso 0 dist 7.60912 9.9368 13.4546 13.464 18.3295 7.67418 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 10.5008 14.5787 9.26916 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 7.94469 8.84987 6.08215 7.51182 11.2888 8.05235 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 11.4764 13.8683 8.11956 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 7.71442 10.7624 5.90008 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 11.533 8.78286 6.93215 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.35148 6.39087 11.4142 3.96711 9.57951 7.01486 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.71944 8.82663 5.45067 9.33375 12.863 8.96074 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 14.1635 20.4173 8.62356 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 10.7751 6.71734 9.90442 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.63694 6.57444 13.1376 16.3701 22.39 9.96942 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 6.58277 6.57444 5.91091 16.3701 12.4802 9.96942 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 8.12204 9.39714 5.91091 8.85331 12.4802 9.96942 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 8.26333 6.02879 5.40861 10.1193 11.7448 9.85536 numMergedOcc 0
