0 mol 15 unq 0 iso 0 dist 7.876 4.29582 9.41935 9.88835 14.8121 5.89412 9.84471 10.5167 6.23015 6.91314 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.876 4.29582 9.41935 8.38064 5.88545 7.07399 9.84471 10.5167 6.23015 5.49251 numMergedOcc 0
2 mol 15 unq 2 iso 0 dist 8.63502 8.72342 9.41935 14.206 14.8121 5.89412 13.5608 10.5167 6.23015 6.91314 numMergedOcc 0
3 mol 15 unq 3 iso 0 dist 8.63502 8.72342 9.41935 10.4158 5.88545 7.07399 13.5608 10.5167 6.23015 5.49251 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 4.5985 5.42531 6.84692 10.1489 8.07089 7.01812 9.21662 8.59989 6.59691 4.03277 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 4.5985 5.42531 6.84692 13.2001 12.8256 8.30845 9.21662 8.59989 6.59691 6.23008 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 8.20656 8.4128 6.84692 7.17106 8.07089 7.01812 10.5432 8.59989 6.59691 4.03277 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 8.20656 8.4128 6.84692 10.5134 12.8256 8.30845 10.5432 8.59989 6.59691 6.23008 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.64695 12.538 6.49688 13.268 5.47259 6.16242 12.5855 13.2024 8.83732 13.0405 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.64695 12.538 6.49688 12.6651 4.70102 5.87634 12.5855 13.2024 8.83732 13.7612 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 4.51266 4.54648 6.49688 6.29155 5.47259 6.16242 8.77023 13.2024 8.83732 13.0405 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 4.51266 4.54648 6.49688 6.80239 4.70102 5.87634 8.77023 13.2024 8.83732 13.7612 numMergedOcc 0
12 mol 135 unq 0 iso 0 dist 6.67623 10.2752 7.83735 15.7277 10.5706 7.90563 16.0581 11.796 7.17599 8.50814 numMergedOcc 0
13 mol 135 unq 1 iso 0 dist 6.67623 10.2752 7.83735 17.3128 11.8378 8.97655 16.0581 11.796 7.17599 3.95636 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 6.36868 9.275 8.20406 11.8841 6.22427 9.10511 9.08274 5.40635 6.47164 4.12764 numMergedOcc 0
15 mol 170 unq 1 iso 0 dist 6.36868 9.275 8.20406 12.8281 9.77705 6.35982 9.08274 5.40635 6.47164 4.78249 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.47008 5.63555 6.2176 7.63312 5.83639 5.9176 6.64173 7.11838 8.12266 10.6474 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.47008 5.63555 6.2176 7.63312 5.83639 5.9176 9.55105 5.42919 9.43306 5.12833 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 8.47008 5.63555 6.2176 7.63312 5.83639 5.9176 11.7785 6.20414 8.59681 4.61184 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.61316 10.286 5.67863 15.834 12.3879 6.72379 16.9319 14.0502 9.00322 4.66791 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 7.61316 15.0555 9.42308 14.0836 12.9377 8.65535 17.457 11.795 4.19371 10.0756 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 7.61316 15.0555 9.42308 14.0836 12.9377 8.65535 22.5099 15.9063 9.71015 16.4082 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.72403 13.8349 9.38888 13.3467 13.1319 7.32499 11.6391 4.76962 7.77911 13.1872 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 6.35438 10.0059 9.38888 10.3625 13.1319 7.32499 7.81215 4.76962 7.77911 13.1872 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 9.57132 5.08515 9.38888 11.0622 13.1319 7.32499 5.64285 4.76962 7.77911 13.1872 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 9.82018 4.60101 6.83684 13.3579 9.75887 8.83865 12.205 6.91408 7.85836 4.24707 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 9.82018 4.60101 6.83684 13.3579 9.75887 8.83865 9.59325 4.04219 6.35532 8.56043 numMergedOcc 0
27 mol 273 unq 2 iso 0 dist 9.82018 4.60101 6.83684 13.4294 7.29345 9.18157 12.205 6.91408 7.85836 6.65672 numMergedOcc 0
28 mol 273 unq 3 iso 0 dist 9.82018 4.60101 6.83684 13.4294 7.29345 9.18157 9.59325 4.04219 6.35532 8.81454 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 6.92434 5.29529 5.0002 7.56915 5.87456 8.52587 12.8334 12.616 8.60027 16.9539 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 6.92434 5.29529 5.0002 11.3168 6.38211 6.39866 12.8334 12.616 8.60027 8.87855 numMergedOcc 0
