0 mol 1 unq 0 iso 0 dist 8.40848 8.7275 5.06184 12.1307 7.81034 10.3005 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.40848 8.7275 5.06184 10.559 9.19497 13.546 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 7.92988 8.62847 4.42081 11.5151 8.70824 8.97274 numMergedOcc 0
3 mol 5 unq 1 iso 0 dist 7.92988 8.62847 4.42081 4.25268 5.93404 7.5815 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 7.92988 8.62847 4.42081 10.2365 6.70655 10.8072 numMergedOcc 0
5 mol 6 unq 0 iso 0 dist 9.68907 7.46244 12.5999 12.5211 9.64829 16.1982 numMergedOcc 0
6 mol 10 unq 0 iso 0 dist 6.20404 8.97985 4.87139 4.62965 8.93461 12.6941 numMergedOcc 0
7 mol 10 unq 1 iso 0 dist 6.20404 8.97985 4.87139 5.37078 9.25382 9.25299 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 6.30807 9.83449 12.0998 12.4266 9.84967 19.6653 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 8.6783 9.3808 8.79418 4.69936 6.51139 6.35506 numMergedOcc 0
10 mol 41 unq 1 iso 0 dist 8.6783 9.3808 8.79418 7.02255 6.91278 10.525 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 8.60396 7.86479 4.89928 11.3388 9.76585 6.57633 numMergedOcc 0
12 mol 55 unq 0 iso 0 dist 8.57785 5.69981 3.82947 16.0564 8.95571 12.0896 numMergedOcc 0
13 mol 55 unq 1 iso 0 dist 7.03751 9.873 3.82947 4.42326 8.95571 12.0896 numMergedOcc 0
14 mol 67 unq 0 iso 0 dist 5.16558 6.89527 3.77705 4.53097 8.39857 10.3748 numMergedOcc 0
15 mol 69 unq 0 iso 0 dist 7.17678 9.18161 4.69809 8.98413 7.30652 10.5659 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 9.04935 8.52697 10.0025 4.82573 5.55798 8.26763 numMergedOcc 0
17 mol 79 unq 1 iso 0 dist 9.04935 9.66612 10.8249 4.82573 5.55798 10.3134 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.21127 6.17349 5.33827 5.73904 5.73946 7.84768 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 8.21127 9.21978 12.6105 5.73904 5.73946 12.5457 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 5.59311 7.33743 3.84992 6.14253 9.56319 10.3522 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 5.59311 7.33743 3.84992 4.88407 6.65267 8.88752 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 5.7232 7.33743 11.5628 6.14253 9.73038 10.3522 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 7.76856 5.82174 9.35913 6.2739 6.60418 10.3813 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.94464 9.19831 7.88733 8.18671 6.60648 10.5413 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 7.24533 9.79864 3.98113 8.61205 8.01777 11.2355 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.13722 7.81168 12.9641 4.19938 7.3055 10.9977 numMergedOcc 0
