0 mol 7 unq 0 iso 0 dist 7.88043 7.78327 10.6558 12.2041 5.72491 14.0084 12.2708 9.55056 18.6994 10.789 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 7.78327 10.6558 12.2041 5.72491 14.0084 6.06176 7.45262 13.2302 10.515 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 5.0812 9.92283 11.5809 6.72991 7.82011 9.81737 8.57646 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 13.2572 9.15431 17.4411 7.00551 9.39683 13.4742 7.71288 numMergedOcc 0
4 mol 131 unq 1 iso 0 dist 9.29384 8.80895 9.6795 6.63273 6.92648 12.9064 7.00551 9.39683 13.4742 4.89973 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 7.15222 6.28351 12.4684 5.08802 5.1101 10.4624 8.59354 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 5.49226 8.39897 7.88487 7.15222 6.28351 12.4684 10.1972 7.01133 14.5864 8.54341 numMergedOcc 0
7 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 8.0179 8.12346 11.2599 15.9311 9.77862 12.7281 13.7758 numMergedOcc 0
8 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 14.6506 8.83356 14.7152 15.9311 9.77862 12.7281 5.38925 numMergedOcc 0
9 mol 194 unq 2 iso 0 dist 6.26839 9.52922 7.82899 8.48054 8.2654 14.7929 15.9311 9.77862 12.7281 14.2415 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 6.60567 6.59544 11.5264 10.7531 7.62942 16.1245 13.6975 9.79691 19.9724 6.08211 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 11.6493 9.18635 17.8926 12.2117 8.15936 18.8988 5.72073 numMergedOcc 0
12 mol 198 unq 1 iso 0 dist 8.10985 6.77156 13.3432 11.6493 9.18635 17.8926 10.8191 8.16598 17.1548 9.94078 numMergedOcc 0
13 mol 198 unq 2 iso 0 dist 8.10985 7.97894 12.4245 11.6493 9.18635 19.0958 12.2117 8.15936 18.47 5.72073 numMergedOcc 0
14 mol 198 unq 3 iso 0 dist 8.10985 7.97894 12.4245 11.6493 9.18635 19.0958 10.8191 8.16598 15.5539 9.94078 numMergedOcc 0
15 mol 198 unq 4 iso 0 dist 8.10985 8.08471 5.45278 11.6493 9.18635 14.037 12.2117 8.15936 13.4578 5.72073 numMergedOcc 0
16 mol 198 unq 5 iso 0 dist 8.10985 8.08471 5.45278 11.6493 9.18635 14.037 10.8191 8.16598 12.2324 9.94078 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 7.38516 8.44861 13.3708 6.23291 5.42696 12.4189 8.66809 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 8.46327 9.06459 13.3401 12.7897 7.05523 19.3882 10.7373 7.2498 14.5432 7.62375 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 5.76954 7.84952 11.2216 4.72474 6.29367 11.8692 9.68444 6.86795 15.9417 6.05563 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 5.76954 7.84952 11.2216 4.72474 6.29367 11.8692 7.47048 6.61099 8.5244 8.36122 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 5.76954 7.84952 11.2216 5.61978 9.20961 12.5146 9.68444 6.86795 15.9417 11.4148 numMergedOcc 0
22 mol 218 unq 3 iso 0 dist 5.76954 7.84952 11.2216 5.61978 9.20961 12.5146 7.47048 6.61099 8.5244 12.7963 numMergedOcc 0
23 mol 240 unq 0 iso 0 dist 9.47583 5.77749 10.2659 4.28414 8.44909 9.30946 10.7371 8.33853 14.9624 7.75407 numMergedOcc 0
24 mol 240 unq 1 iso 0 dist 9.47583 5.77749 10.2659 4.28414 8.44909 9.30946 13.9225 5.66537 15.5469 12.076 numMergedOcc 0
25 mol 248 unq 0 iso 0 dist 6.17052 7.79063 4.91893 5.55137 9.77666 9.64778 6.48757 8.53148 10.7209 5.51827 numMergedOcc 0
26 mol 248 unq 1 iso 0 dist 9.77666 9.64778 4.91893 5.55137 6.17052 7.79063 5.51827 8.53148 10.7209 6.48757 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 8.60026 8.24356 11.1232 7.00201 5.26434 12.3855 5.22253 9.24121 12.8776 7.49174 numMergedOcc 0
