0 mol 45 unq 0 iso 0 dist 7.62709 7.29857 5.55096 11.1321 4.52443 8.80014 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 7.61402 8.19237 9.62637 13.1906 7.91752 9.32898 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 8.11293 8.19237 6.01423 13.1906 5.73902 9.32898 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.22513 4.80291 7.03226 9.98078 5.77727 9.75201 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 8.90311 14.3305 6.51395 6.07991 6.18257 9.35942 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 8.90311 14.3305 6.51395 19.2993 10.4498 7.42482 numMergedOcc 0
6 mol 114 unq 2 iso 0 dist 7.81181 7.62766 5.79343 11.5495 4.69847 9.17466 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.87582 5.67542 5.60389 9.03491 6.03931 8.85881 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 8.77794 5.16645 5.60389 9.73461 6.03931 8.85881 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 9.88812 7.11876 6.49383 15.2319 12.4955 8.79367 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.10681 6.69013 4.25566 16.2539 11.1956 9.78667 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 8.10681 6.69013 4.25566 14.0542 9.65952 8.47026 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 8.10681 12.7134 7.31037 16.2539 11.1956 6.73983 numMergedOcc 0
13 mol 141 unq 3 iso 0 dist 8.10681 12.7134 7.31037 14.0542 9.65952 8.6387 numMergedOcc 0
14 mol 141 unq 4 iso 0 dist 4.69823 6.69013 6.63171 16.2539 14.6024 9.78667 numMergedOcc 0
15 mol 141 unq 5 iso 0 dist 4.69823 6.69013 6.63171 14.0542 11.3036 8.47026 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.13913 14.6187 6.64779 17.5468 10.2821 8.03528 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 8.52642 9.7127 7.60625 7.46207 5.91268 7.8141 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.60851 5.3236 9.86703 5.7371 4.05564 7.74683 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 6.37335 7.46856 7.17337 10.4731 7.0877 6.57921 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 8.66693 5.53537 7.17337 8.73422 7.0877 6.57921 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 6.52138 5.01342 9.58354 11.623 14.5407 8.15091 numMergedOcc 0
