0 mol 5 unq 0 iso 0 dist 7.92988 8.62847 4.42081 11.5151 8.70824 8.97274 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.92988 8.62847 4.42081 4.25268 5.93404 7.5815 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 6.20404 8.97985 4.87139 5.37078 9.25382 9.25299 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.6783 9.3808 8.79418 4.69936 6.51139 6.35506 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.60396 7.86479 4.89928 11.3388 9.76585 6.57633 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.48514 5.69981 3.64781 4.96802 11.4704 8.95123 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 8.57785 5.69981 3.82947 4.96802 10.5734 8.95123 numMergedOcc 0
7 mol 55 unq 2 iso 0 dist 7.03751 9.873 3.82947 11.6896 10.5734 8.95123 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.72287 8.12626 9.15052 5.04832 10.8193 7.11238 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 5.16558 6.89527 3.77705 11.6107 11.6965 9.83555 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 9.62459 6.89527 7.64337 11.6107 16.5396 9.83555 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.04935 8.52697 10.0025 4.82573 5.55798 8.26763 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 7.62621 6.64714 6.44712 4.4056 9.63646 9.84288 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.79564 6.6142 3.86836 5.60885 8.84165 9.8896 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.21127 6.17349 5.33827 5.73904 5.73946 7.84768 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 7.33743 3.84992 4.88407 6.65267 8.88752 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 9.22456 7.33743 5.68827 4.88407 11.5349 8.88752 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.7232 7.33743 11.5628 4.88407 10.064 8.88752 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 8.93916 8.10157 16.3583 7.12442 15.2377 5.93918 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 9.04205 9.31829 6.30259 11.624 10.3428 9.45909 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 8.53483 9.3066 12.2415 10.8175 17.4657 7.50455 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.38547 6.15704 10.5211 10.3913 16.7213 7.93194 numMergedOcc 0
