0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 7.4817 9.12196 7.73435 4.50502 10.8992 7.27254 11.6921 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 5.97304 6.60423 9.38831 5.11636 7.95042 8.24948 4.47891 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.6756 5.69955 16.849 7.11305 14.8317 6.38243 17.7014 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.34347 5.69955 10.6756 13.2876 8.44506 16.849 8.25132 13.6027 6.73167 20.7435 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.34347 5.69955 10.6756 13.2876 8.44506 16.849 4.94205 12.8365 7.40948 15.9614 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.48048 8.44903 7.31982 5.07458 6.66407 7.24352 4.69849 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 5.64171 8.60739 7.31982 4.96926 6.75943 7.15901 4.55347 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 10.0814 6.47042 12.0448 10.5563 13.5845 5.43933 15.6782 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 10.0814 6.47042 12.0448 6.95317 8.47988 4.99604 8.90959 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 7.71338 6.43433 8.56707 10.0814 6.47042 12.0448 13.5094 18.1948 9.97483 19.709 numMergedOcc 0
10 mol 112 unq 3 iso 0 dist 7.71338 6.43433 8.56707 10.0814 6.47042 12.0448 6.75738 13.1243 7.44041 16.5761 numMergedOcc 0
11 mol 112 unq 4 iso 0 dist 9.60462 9.92283 17.3924 11.0629 8.729 15.3575 12.6108 19.476 5.43933 14.9046 numMergedOcc 0
12 mol 112 unq 5 iso 0 dist 9.60462 9.92283 17.3924 11.0629 8.729 15.3575 10.9279 19.9429 4.99604 18.0668 numMergedOcc 0
13 mol 112 unq 6 iso 0 dist 9.60462 9.92283 17.3924 11.0629 8.729 15.3575 13.764 19.2666 9.97483 12.8269 numMergedOcc 0
14 mol 112 unq 7 iso 0 dist 9.60462 9.92283 17.3924 11.0629 8.729 15.3575 5.43385 10.2348 7.44041 8.59786 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 7.88312 5.72642 7.3094 7.21418 5.74857 8.71286 5.03039 11.8378 8.4965 8.80697 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 6.9194 12.31 9.6121 6.71103 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 9.68677 7.64052 9.57341 6.29394 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 6.9194 12.31 9.6121 12.4868 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 9.68677 7.64052 9.57341 9.64502 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 5.59336 8.35555 6.39031 9.84297 10.4285 6.92726 5.55763 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 4.94983 6.70693 7.1069 4.71678 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 12.6058 17.9507 8.57801 13.0608 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 12.6058 17.9507 8.57801 11.868 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 8.84507 6.74196 7.97027 9.0716 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 8.67203 11.4707 6.81955 13.5801 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 6.02502 8.36842 4.9876 10.5383 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 10.5813 8.03442 9.56257 4.1511 9.91384 5.28771 11.2819 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 7.22101 8.03442 10.5813 11.0628 8.38865 9.56257 5.0317 5.23634 9.43618 7.3164 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 7.22396 8.03442 9.56257 4.69247 9.91384 5.28771 11.2819 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 8.65997 8.03442 7.22396 11.0628 5.4694 9.56257 5.0317 6.91318 9.43618 7.3164 numMergedOcc 0
31 mol 227 unq 4 iso 0 dist 7.55216 5.87815 10.6244 9.69537 8.03442 15.0736 5.73883 12.2073 9.71916 11.7852 numMergedOcc 0
32 mol 227 unq 5 iso 0 dist 7.55216 8.03442 9.69537 10.6244 5.87815 15.0736 5.0317 12.3663 9.43618 15.5062 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 7.19638 7.50201 7.63376 5.25252 6.86945 8.55481 7.40852 7.15764 5.9974 4.34126 numMergedOcc 0
