0 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 8.66248 9.41655 12.089 6.58998 9.38831 8.24948 15.0537 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 7.95042 4.47891 6.73521 6.803 10.4905 6.58998 9.38831 8.24948 12.8421 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.24958 7.27472 5.11135 15.0923 9.65174 10.3921 10.0655 9.58012 7.96195 6.79749 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.44903 6.66407 4.69849 9.80379 9.82307 12.2699 5.64171 7.31982 7.24352 6.59887 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 6.35793 9.34689 5.92828 10.1567 12.0448 4.99604 4.25001 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 6.47042 8.47988 8.90959 4.69658 9.34689 5.92828 8.56707 12.0448 4.99604 4.25001 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 10.4816 7.62197 12.3503 4.99056 8.03035 9.57341 10.7475 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 13.2169 7.62197 12.3503 3.78311 8.03035 9.57341 10.7475 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.41611 5.40637 6.16103 6.75249 7.22 6.60366 10.8441 5.73236 8.68663 5.42311 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 10.6994 7.34557 8.60651 7.2238 6.39031 7.1069 4.78989 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 8.28642 6.70693 4.71678 4.68615 7.34557 8.60651 5.59336 6.39031 7.1069 4.78989 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 8.77887 6.73504 6.19242 8.36988 9.12454 11.4796 5.16512 9.05835 7.32888 6.55448 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.258 7.2793 8.88593 4.04122 6.08596 9.34653 6.87725 12.7425 8.31881 9.09659 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 9.93981 8.38453 9.81261 13.9054 11.8525 9.39658 19.1465 numMergedOcc 0
14 mol 252 unq 1 iso 0 dist 6.86945 7.15764 4.34126 9.93981 8.38453 9.81261 7.63376 8.55481 5.9974 14.8966 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 5.82362 8.78525 12.2745 6.84156 5.74568 6.02757 7.06901 numMergedOcc 0
16 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 10.6043 8.78525 12.2745 9.37297 5.74568 6.02757 7.06901 numMergedOcc 0
