0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 7.4817 9.12196 7.73435 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 9.00903 9.12196 7.4817 7.94662 6.09918 7.73435 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 5.97304 6.60423 9.38831 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.6756 5.69955 16.849 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 8.34347 5.69955 10.6756 13.2876 8.44506 16.849 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.48048 8.44903 7.31982 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 5.73819 8.44903 5.48048 5.64171 8.60739 7.31982 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 7.34143 9.66501 12.277 8.9759 9.9052 17.9823 numMergedOcc 0
9 mol 52 unq 0 iso 1 dist 7.34143 9.9052 8.9759 12.277 9.66501 17.9823 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 6.82174 7.33422 10.6458 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 7.95579 7.33422 6.82174 5.08358 8.00777 10.6458 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 7.91778 7.33422 10.6458 numMergedOcc 0
13 mol 85 unq 1 iso 1 dist 6.19965 7.33422 7.91778 5.08358 7.1589 10.6458 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 8.56707 6.43433 12.0448 numMergedOcc 0
15 mol 112 unq 0 iso 1 dist 7.71338 6.43433 8.56707 10.0814 6.47042 12.0448 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.60462 8.729 11.0629 17.3924 9.92283 15.3575 numMergedOcc 0
17 mol 112 unq 1 iso 1 dist 9.60462 9.92283 17.3924 11.0629 8.729 15.3575 numMergedOcc 0
18 mol 112 unq 2 iso 0 dist 9.60462 8.729 11.0629 3.98564 7.23962 10.7583 numMergedOcc 0
19 mol 112 unq 2 iso 1 dist 9.60462 7.23962 3.98564 11.0629 8.729 10.7583 numMergedOcc 0
20 mol 112 unq 3 iso 0 dist 7.45389 8.729 5.48848 3.98564 7.30204 10.7583 numMergedOcc 0
21 mol 112 unq 3 iso 1 dist 7.45389 7.30204 3.98564 5.48848 8.729 10.7583 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.88312 5.72642 7.3094 7.21418 5.74857 8.71286 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 7.88312 5.74857 7.21418 7.3094 5.72642 8.71286 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 3.78311 7.77116 8.03035 numMergedOcc 0
25 mol 119 unq 0 iso 1 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 8.73993 6.37542 6.08167 3.78311 7.77116 7.6968 numMergedOcc 0
27 mol 119 unq 1 iso 1 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 5.59336 8.35555 6.39031 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 6.44255 9.43259 9.01812 numMergedOcc 0
31 mol 156 unq 0 iso 1 dist 8.34702 9.43259 6.44255 5.71107 7.73169 9.01812 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 8.34702 7.73169 5.71107 5.82636 6.2319 4.9941 numMergedOcc 0
33 mol 156 unq 1 iso 1 dist 8.34702 6.2319 5.82636 5.71107 7.73169 4.9941 numMergedOcc 0
34 mol 156 unq 2 iso 0 dist 8.34702 5.38091 10.7023 6.44255 9.43259 5.90883 numMergedOcc 0
35 mol 156 unq 2 iso 1 dist 8.34702 9.43259 6.44255 10.7023 5.38091 5.90883 numMergedOcc 0
36 mol 156 unq 3 iso 0 dist 8.34702 5.38091 10.7023 5.82636 6.2319 8.06913 numMergedOcc 0
37 mol 156 unq 3 iso 1 dist 8.34702 6.2319 5.82636 10.7023 5.38091 8.06913 numMergedOcc 0
38 mol 156 unq 4 iso 0 dist 9.06726 7.73169 11.2067 5.82636 9.97732 4.9941 numMergedOcc 0
39 mol 156 unq 4 iso 1 dist 9.06726 9.97732 5.82636 11.2067 7.73169 4.9941 numMergedOcc 0
40 mol 156 unq 5 iso 0 dist 9.06726 5.38091 9.00862 5.82636 9.97732 8.06913 numMergedOcc 0
41 mol 156 unq 5 iso 1 dist 9.06726 9.97732 5.82636 9.00862 5.38091 8.06913 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 4.24624 8.0154 7.32419 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 9.29945 8.0154 4.24624 12.3408 5.4969 7.32419 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 4.24624 8.0154 8.31961 numMergedOcc 0
45 mol 175 unq 1 iso 1 dist 9.29945 8.0154 4.24624 8.68081 6.4318 8.31961 numMergedOcc 0
46 mol 175 unq 2 iso 0 dist 9.29945 7.35824 12.5754 4.24624 8.0154 11.3531 numMergedOcc 0
47 mol 175 unq 2 iso 1 dist 9.29945 8.0154 4.24624 12.5754 7.35824 11.3531 numMergedOcc 0
48 mol 175 unq 3 iso 0 dist 9.29945 9.17364 10.0424 4.24624 8.0154 11.7939 numMergedOcc 0
49 mol 175 unq 3 iso 1 dist 9.29945 8.0154 4.24624 10.0424 9.17364 11.7939 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 numMergedOcc 0
51 mol 186 unq 0 iso 1 dist 9.09754 6.85302 4.37002 9.97575 8.64409 7.55358 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 numMergedOcc 0
53 mol 186 unq 1 iso 1 dist 9.09754 9.98215 4.64235 9.97575 8.64409 7.60991 numMergedOcc 0
54 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 numMergedOcc 0
55 mol 222 unq 0 iso 1 dist 6.00706 8.48341 6.03524 6.42798 7.862 12.5422 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 10.5813 8.03442 9.56257 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.22101 8.03442 10.5813 11.0628 8.38865 9.56257 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 7.22396 8.03442 9.56257 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 8.65997 8.03442 7.22396 11.0628 5.4694 9.56257 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 7.55216 5.87815 10.6244 9.69537 8.03442 15.0736 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 7.55216 8.03442 9.69537 10.6244 5.87815 15.0736 numMergedOcc 0
62 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.63376 7.50201 8.55481 numMergedOcc 0
63 mol 252 unq 0 iso 1 dist 7.19638 7.50201 7.63376 5.25252 6.86945 8.55481 numMergedOcc 0
64 mol 258 unq 0 iso 0 dist 6.60405 9.53063 6.6525 7.42673 6.70815 6.47194 numMergedOcc 0
65 mol 258 unq 0 iso 1 dist 6.60405 6.70815 7.42673 6.6525 9.53063 6.47194 numMergedOcc 0
66 mol 258 unq 1 iso 0 dist 6.42289 9.53063 5.27959 7.42673 7.99477 6.47194 numMergedOcc 0
67 mol 258 unq 1 iso 1 dist 6.42289 7.99477 7.42673 5.27959 9.53063 6.47194 numMergedOcc 0
68 mol 258 unq 2 iso 0 dist 6.42289 9.53063 5.27959 6.44209 7.86627 10.472 numMergedOcc 0
69 mol 258 unq 2 iso 1 dist 6.42289 7.86627 6.44209 5.27959 9.53063 10.472 numMergedOcc 0
70 mol 272 unq 0 iso 0 dist 9.97651 9.19033 10.26 4.86504 9.64269 12.7305 numMergedOcc 0
71 mol 272 unq 0 iso 1 dist 9.97651 9.64269 4.86504 10.26 9.19033 12.7305 numMergedOcc 0
72 mol 272 unq 1 iso 0 dist 8.46116 9.19033 13.5034 4.86504 8.46061 12.7305 numMergedOcc 0
73 mol 272 unq 1 iso 1 dist 8.46116 8.46061 4.86504 13.5034 9.19033 12.7305 numMergedOcc 0
