0 mol 15 unq 0 iso 0 dist 8.0637 9.84069 6.61158 7.38118 5.70754 3.70992 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.35967 5.45364 9.82691 10.1102 4.64234 9.33795 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.35967 5.45364 9.82691 9.53966 6.26254 7.15292 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.64067 8.344 6.94351 3.82278 8.69574 7.57153 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 4.85282 7.29999 8.84323 4.85685 6.35779 5.27573 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.77675 8.6915 5.70192 5.88789 8.4702 11.4786 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.18358 10.5662 9.28803 8.10649 9.853 5.14042 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.8763 10.1316 8.42487 7.6171 5.53454 3.56771 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 9.67954 11.4754 7.42108 10.1955 7.16035 8.87705 numMergedOcc 0
9 mol 183 unq 1 iso 0 dist 9.67954 11.4754 7.42108 7.68974 6.2675 4.56996 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 9.27825 8.31396 8.60027 10.2953 9.1549 3.6106 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.39622 9.25757 9.08641 6.14958 6.99587 11.4777 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 5.39622 9.25757 9.08641 5.87342 4.37577 9.8669 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 5.07395 4.61036 6.87234 9.59663 9.49242 5.35359 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 5.07395 4.61036 6.87234 13.6676 9.25184 13.2257 numMergedOcc 0
15 mol 210 unq 2 iso 0 dist 5.07395 5.58925 8.72017 9.59663 9.49242 10.8507 numMergedOcc 0
16 mol 210 unq 3 iso 0 dist 5.07395 5.58925 8.72017 13.6676 9.25184 14.6808 numMergedOcc 0
17 mol 210 unq 4 iso 0 dist 9.35577 10.0114 6.87234 15.1177 9.49242 5.35359 numMergedOcc 0
18 mol 210 unq 5 iso 0 dist 9.35577 10.0114 6.87234 17.233 9.25184 13.2257 numMergedOcc 0
19 mol 210 unq 6 iso 0 dist 9.35577 6.10752 8.72017 15.1177 9.49242 10.8507 numMergedOcc 0
20 mol 210 unq 7 iso 0 dist 9.35577 6.10752 8.72017 17.233 9.25184 14.6808 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 6.17749 4.95108 7.35476 4.73685 4.90656 3.72064 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.15743 14.7996 9.61294 9.67326 9.67243 12.926 numMergedOcc 0
23 mol 270 unq 0 iso 0 dist 4.60602 5.93015 7.63678 9.89802 7.97614 6.96273 numMergedOcc 0
24 mol 270 unq 1 iso 0 dist 6.62637 4.79813 7.63678 8.63373 7.97614 6.96273 numMergedOcc 0
