0 mol 4 unq 0 iso 0 dist 7.75847 7.53929 9.03342 6.22303 8.60699 6.82441 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 9.90644 8.07981 15.098 8.41625 11.3767 7.33484 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 9.90644 8.07981 15.098 9.26453 7.55017 10.3202 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 6.62231 8.73962 6.16262 9.31993 7.52967 6.45299 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 6.62231 8.73962 6.16262 6.3453 6.58303 4.78188 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 8.79578 6.35249 12.6047 7.32436 5.64505 9.5104 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.23209 6.01552 11.359 7.96502 4.76335 8.24748 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 4.86511 9.91797 7.37194 8.78888 6.19675 5.50361 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.39344 9.75708 12.4847 9.23755 12.1862 6.17006 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 8.90628 9.31349 13.7363 9.48319 13.34 15.0353 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 8.90628 7.61666 10.7114 9.48319 13.34 11.9566 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.35254 8.03407 6.69503 8.98532 11.8426 8.6267 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 5.35254 6.39759 7.80674 8.98532 11.8426 4.68995 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 7.45209 9.35364 13.5149 5.84349 7.82029 12.2707 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 8.28543 8.51112 11.4657 8.3941 4.71117 12.1909 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.56851 9.19343 11.3584 6.58174 8.26563 7.51586 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.89665 8.90607 12.0585 9.0815 14.7173 10.4228 numMergedOcc 0
17 mol 207 unq 0 iso 0 dist 7.71388 9.13327 11.6898 5.65418 5.47226 8.68034 numMergedOcc 0
18 mol 207 unq 1 iso 0 dist 7.71388 9.13327 11.6898 4.70143 10.8177 8.33283 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 5.28576 9.31677 8.63134 6.3687 4.09525 9.96567 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 5.46388 5.36841 5.18467 8.32703 6.34942 7.27568 numMergedOcc 0
