0 mol 16 unq 0 iso 0 dist 5.84479 6.53177 7.63133 8.67719 5.32694 5.46498 13.4596 10.4155 8.71745 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.84479 6.53177 7.63133 13.4596 10.4155 8.71745 8.67719 5.32694 5.46498 5.74188 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.67719 6.53177 5.46498 5.84479 5.32694 7.63133 13.4596 5.74188 8.71745 10.4155 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 8.67719 6.53177 5.46498 13.4596 5.74188 8.71745 5.84479 5.32694 7.63133 10.4155 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.74445 14.445 6.20293 13.964 5.06502 5.73819 15.3221 6.45462 8.93915 5.89973 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 9.74445 14.445 6.20293 15.3221 6.45462 8.93915 13.964 5.06502 5.73819 5.89973 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 12.9335 5.30792 6.86465 9.56737 4.81926 6.35756 5.35073 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 7.84983 11.5882 6.62496 9.56737 4.81926 6.35756 12.9335 5.30792 6.86465 5.35073 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 12.9335 5.35073 6.86465 7.84983 4.81926 6.62496 5.30792 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 9.56737 11.5882 6.35756 7.84983 4.81926 6.62496 12.9335 5.35073 6.86465 5.30792 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 5.83937 9.96073 6.43294 14.8574 10.1562 8.33063 11.1212 5.67502 8.7531 7.29309 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 5.83937 9.96073 6.43294 11.1212 5.67502 8.7531 14.8574 10.1562 8.33063 7.29309 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.82095 13.6099 6.43294 17.2674 10.1562 8.33063 10.5768 5.67502 8.7531 7.29309 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 8.82095 13.6099 6.43294 10.5768 5.67502 8.7531 17.2674 10.1562 8.33063 7.29309 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 7.26679 15.7123 9.96396 9.30776 13.7412 9.75218 12.016 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.68526 8.31041 9.38498 9.30776 13.7412 9.75218 7.26679 15.7123 9.96396 12.016 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 13.2514 13.7412 9.75218 12.016 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.72442 11.7069 9.38498 13.2514 13.7412 9.75218 10.1503 15.7123 9.96396 12.016 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 11.7436 15.7123 9.38498 14.4206 12.016 9.75218 13.7412 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 6.89722 10.4716 9.96396 14.4206 12.016 9.75218 11.7436 15.7123 9.38498 13.7412 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 9.68526 15.7123 9.38498 9.30776 12.016 9.75218 13.7412 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 7.26679 8.31041 9.96396 9.30776 12.016 9.75218 9.68526 15.7123 9.38498 13.7412 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 9.68526 13.7412 9.38498 15.7123 numMergedOcc 0
23 mol 73 unq 4 iso 1 dist 9.30776 8.31041 9.75218 9.68526 13.7412 9.38498 7.26679 12.016 9.96396 15.7123 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.21889 5.5332 7.34473 9.74643 7 8.58044 6.86702 8.40993 9.97763 6.94915 numMergedOcc 0
25 mol 109 unq 0 iso 1 dist 8.21889 5.5332 7.34473 6.86702 8.40993 9.97763 9.74643 7 8.58044 6.94915 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 9.74643 5.5332 8.58044 8.21889 7 7.34473 6.86702 6.94915 9.97763 8.40993 numMergedOcc 0
27 mol 109 unq 1 iso 1 dist 9.74643 5.5332 8.58044 6.86702 6.94915 9.97763 8.21889 7 7.34473 8.40993 numMergedOcc 0
28 mol 109 unq 2 iso 0 dist 6.86702 5.5332 9.97763 8.21889 8.40993 7.34473 9.74643 6.94915 8.58044 7 numMergedOcc 0
29 mol 109 unq 2 iso 1 dist 6.86702 5.5332 9.97763 9.74643 6.94915 8.58044 8.21889 8.40993 7.34473 7 numMergedOcc 0
30 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 14.7579 7.22206 7.83136 16.223 9.3584 7.0603 7.21564 numMergedOcc 0
31 mol 117 unq 0 iso 1 dist 7.70533 14.3476 7.90328 16.223 9.3584 7.0603 14.7579 7.22206 7.83136 7.21564 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 19.4361 10.7062 8.40312 14.5129 6.63273 7.12972 5.55373 numMergedOcc 0
33 mol 131 unq 0 iso 1 dist 8.97145 14.257 6.85062 14.5129 6.63273 7.12972 19.4361 10.7062 8.40312 5.55373 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 15.1013 10.7062 8.40312 11.4628 6.63273 7.12972 5.55373 numMergedOcc 0
35 mol 131 unq 1 iso 1 dist 6.5874 7.60371 6.85062 11.4628 6.63273 7.12972 15.1013 10.7062 8.40312 5.55373 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 9.48243 11.6637 9.91388 11.0972 6.69554 9.52634 14.1743 6.761 7.24514 7.6656 numMergedOcc 0
37 mol 133 unq 0 iso 1 dist 9.48243 11.6637 9.91388 14.1743 6.761 7.24514 11.0972 6.69554 9.52634 7.6656 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 6.11955 7.96098 6.80239 10.4171 7.81217 6.29155 11.5405 7.79672 8.00618 11.965 numMergedOcc 0
39 mol 133 unq 1 iso 1 dist 6.11955 7.96098 6.80239 11.5405 7.79672 8.00618 10.4171 7.81217 6.29155 11.965 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 14.5119 7.65448 6.70283 18.3598 10.6875 7.16148 5.49936 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 8.89982 13.2491 8.56324 18.3598 10.6875 7.16148 14.5119 7.65448 6.70283 5.49936 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 13.6844 5.42328 5.87555 15.1988 6.4896 8.67331 5.54906 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 9.10619 13.9994 6.70283 15.1988 6.4896 8.67331 13.6844 5.42328 5.87555 5.54906 numMergedOcc 0
44 mol 152 unq 2 iso 0 dist 9.10619 14.2552 7.16148 13.6844 5.42328 8.87437 15.1988 6.4896 8.05741 5.54906 numMergedOcc 0
45 mol 152 unq 2 iso 1 dist 9.10619 14.2552 7.16148 15.1988 6.4896 8.05741 13.6844 5.42328 8.87437 5.54906 numMergedOcc 0
46 mol 152 unq 3 iso 0 dist 9.74498 10.7816 8.67331 12.7397 5.54906 5.87555 13.0082 6.4896 6.70283 5.42328 numMergedOcc 0
47 mol 152 unq 3 iso 1 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 12.7397 5.54906 5.87555 5.42328 numMergedOcc 0
48 mol 152 unq 4 iso 0 dist 9.74498 7.26476 8.05741 12.7397 5.54906 8.87437 13.0082 6.4896 7.16148 5.42328 numMergedOcc 0
49 mol 152 unq 4 iso 1 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 12.7397 5.54906 8.87437 5.42328 numMergedOcc 0
50 mol 156 unq 0 iso 0 dist 9.16591 9.27577 9.83699 13.6067 8.38403 7.44554 16.4964 11.2719 8.94056 5.56175 numMergedOcc 0
51 mol 156 unq 0 iso 1 dist 9.16591 9.27577 9.83699 16.4964 11.2719 8.94056 13.6067 8.38403 7.44554 5.56175 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 6.56437 14.2632 8.95269 9.2491 4.70378 6.57273 17.4981 11.5372 5.78342 8.49799 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 6.56437 14.2632 8.95269 17.4981 11.5372 5.78342 9.2491 4.70378 6.57273 8.49799 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 6.23882 15.0038 8.95269 10.6031 4.70378 6.57273 17.1183 11.5372 5.78342 8.49799 numMergedOcc 0
55 mol 224 unq 1 iso 1 dist 6.23882 15.0038 8.95269 17.1183 11.5372 5.78342 10.6031 4.70378 6.57273 8.49799 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 9.53131 9.59595 8.95269 10.7064 4.70378 6.57273 15.1912 11.5372 5.78342 8.49799 numMergedOcc 0
57 mol 224 unq 2 iso 1 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 10.7064 4.70378 6.57273 8.49799 numMergedOcc 0
58 mol 224 unq 3 iso 0 dist 9.34636 5.63485 8.95269 9.79616 4.70378 6.57273 10.0081 11.5372 5.78342 8.49799 numMergedOcc 0
59 mol 224 unq 3 iso 1 dist 9.34636 5.63485 8.95269 10.0081 11.5372 5.78342 9.79616 4.70378 6.57273 8.49799 numMergedOcc 0
60 mol 224 unq 4 iso 0 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 13.527 5.60236 5.81334 6.91102 numMergedOcc 0
61 mol 224 unq 4 iso 1 dist 9.33771 12.979 5.78342 13.527 5.60236 5.81334 7.39839 5.0744 9.16166 6.91102 numMergedOcc 0
62 mol 224 unq 5 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 13.527 6.91102 5.81334 5.60236 numMergedOcc 0
63 mol 224 unq 5 iso 1 dist 7.39839 12.979 9.16166 13.527 6.91102 5.81334 9.33771 5.0744 5.78342 5.60236 numMergedOcc 0
64 mol 224 unq 6 iso 0 dist 9.79616 5.63485 6.57273 9.34636 4.70378 8.95269 10.0081 8.49799 5.78342 11.5372 numMergedOcc 0
65 mol 224 unq 6 iso 1 dist 9.79616 5.63485 6.57273 10.0081 8.49799 5.78342 9.34636 4.70378 8.95269 11.5372 numMergedOcc 0
66 mol 224 unq 7 iso 0 dist 9.79616 9.36962 6.60589 14.828 6.77699 6.65832 10.0081 8.49799 9.16166 11.328 numMergedOcc 0
67 mol 224 unq 7 iso 1 dist 9.79616 9.36962 6.60589 10.0081 8.49799 9.16166 14.828 6.77699 6.65832 11.328 numMergedOcc 0
68 mol 224 unq 8 iso 0 dist 9.29703 4.8786 5.78342 12.8171 11.5372 8.95269 11.1052 8.49799 6.57273 4.70378 numMergedOcc 0
69 mol 224 unq 8 iso 1 dist 9.29703 4.8786 5.78342 11.1052 8.49799 6.57273 12.8171 11.5372 8.95269 4.70378 numMergedOcc 0
70 mol 224 unq 9 iso 0 dist 9.29703 7.18448 9.16166 13.5897 11.328 6.65832 11.1052 8.49799 6.60589 6.77699 numMergedOcc 0
71 mol 224 unq 9 iso 1 dist 9.29703 7.18448 9.16166 11.1052 8.49799 6.60589 13.5897 11.328 6.65832 6.77699 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 10.6962 6.29886 8.34494 8.47009 7.82322 9.36357 12.1694 numMergedOcc 0
73 mol 234 unq 0 iso 1 dist 5.89084 4.74041 6.56247 8.47009 7.82322 9.36357 10.6962 6.29886 8.34494 12.1694 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 8.47009 4.74041 9.36357 10.6962 12.1694 8.34494 5.89084 7.82322 6.56247 6.29886 numMergedOcc 0
75 mol 234 unq 1 iso 1 dist 8.47009 4.74041 9.36357 5.89084 7.82322 6.56247 10.6962 12.1694 8.34494 6.29886 numMergedOcc 0
76 mol 236 unq 0 iso 0 dist 8.77254 10.054 8.35971 16.0921 14.2337 8.03456 16.2964 14.7998 6.84306 5.79505 numMergedOcc 0
77 mol 236 unq 0 iso 1 dist 8.77254 10.054 8.35971 16.2964 14.7998 6.84306 16.0921 14.2337 8.03456 5.79505 numMergedOcc 0
78 mol 236 unq 1 iso 0 dist 8.77254 10.054 8.35971 16.0921 14.2337 8.03456 17.6586 10.7497 9.99038 9.90963 numMergedOcc 0
79 mol 236 unq 1 iso 1 dist 8.77254 10.054 8.35971 17.6586 10.7497 9.99038 16.0921 14.2337 8.03456 9.90963 numMergedOcc 0
80 mol 236 unq 2 iso 0 dist 8.77254 10.054 8.35971 16.0921 14.2337 8.03456 13.4564 12.0369 9.78037 6.96005 numMergedOcc 0
81 mol 236 unq 2 iso 1 dist 8.77254 10.054 8.35971 13.4564 12.0369 9.78037 16.0921 14.2337 8.03456 6.96005 numMergedOcc 0
82 mol 236 unq 1 iso 0 dist 8.77254 10.054 8.35971 16.2964 14.7998 6.84306 17.6586 10.7497 9.99038 11.3368 numMergedOcc 0
83 mol 236 unq 1 iso 1 dist 8.77254 10.054 8.35971 17.6586 10.7497 9.99038 16.2964 14.7998 6.84306 11.3368 numMergedOcc 0
84 mol 236 unq 2 iso 0 dist 8.77254 10.054 8.35971 16.2964 14.7998 6.84306 13.4564 12.0369 9.78037 11.8739 numMergedOcc 0
85 mol 236 unq 2 iso 1 dist 8.77254 10.054 8.35971 13.4564 12.0369 9.78037 16.2964 14.7998 6.84306 11.8739 numMergedOcc 0
86 mol 236 unq 2 iso 0 dist 8.77254 10.054 8.35971 17.6586 10.7497 9.99038 13.4564 12.0369 9.78037 11.1557 numMergedOcc 0
87 mol 236 unq 2 iso 1 dist 8.77254 10.054 8.35971 13.4564 12.0369 9.78037 17.6586 10.7497 9.99038 11.1557 numMergedOcc 0
88 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 13.8509 6.96053 7.88519 14.9816 7.64658 7.84554 4.86771 numMergedOcc 0
89 mol 259 unq 0 iso 1 dist 7.93997 14.8465 7.46176 14.9816 7.64658 7.84554 13.8509 6.96053 7.88519 4.86771 numMergedOcc 0
90 mol 259 unq 1 iso 0 dist 7.93997 14.8465 7.46176 13.8509 6.96053 7.88519 17.3348 10.5239 9.18903 10.4881 numMergedOcc 0
91 mol 259 unq 1 iso 1 dist 7.93997 14.8465 7.46176 17.3348 10.5239 9.18903 13.8509 6.96053 7.88519 10.4881 numMergedOcc 0
92 mol 259 unq 1 iso 0 dist 7.93997 14.8465 7.46176 14.9816 7.64658 7.84554 17.3348 10.5239 9.18903 5.87173 numMergedOcc 0
93 mol 259 unq 1 iso 1 dist 7.93997 14.8465 7.46176 17.3348 10.5239 9.18903 14.9816 7.64658 7.84554 5.87173 numMergedOcc 0
94 mol 261 unq 0 iso 0 dist 9.62828 10.5691 8.02547 17.6306 10.0727 8.43057 13.3636 5.51688 6.05727 4.63549 numMergedOcc 0
95 mol 261 unq 0 iso 1 dist 9.62828 10.5691 8.02547 13.3636 5.51688 6.05727 17.6306 10.0727 8.43057 4.63549 numMergedOcc 0
