0 mol 16 unq 0 iso 0 dist 8.33883 5.45161 6.31718 5.38671 5.05803 6.92781 9.79958 10.8455 7.63133 12.5273 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.84479 5.35079 6.31718 6.53177 7.63133 10.8455 9.18436 6.92781 5.05803 12.5273 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 5.84479 6.53177 7.63133 5.35079 6.31718 10.8455 8.67719 5.32694 5.46498 10.9143 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 5.84479 6.53177 7.63133 5.35079 6.31718 10.8455 13.4596 10.4155 8.71745 16.4009 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 10.6042 10.0952 6.86014 12.5077 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.74445 14.445 6.20293 10.323 8.80331 8.13395 13.964 5.06502 5.73819 10.5523 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 10.323 8.80331 8.13395 15.3221 6.45462 8.93915 14.7803 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 10.9885 9.25011 4.73512 10.9217 6.54743 8.90863 10.0828 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 5.83937 6.62193 6.65595 9.96073 6.43294 10.6819 10.9217 6.54743 8.90863 11.5843 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 5.83937 6.62193 6.65595 11.2445 8.52121 8.93946 10.9217 6.54743 8.90863 12.4757 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 14.8574 10.1562 8.33063 16.4714 numMergedOcc 0
11 mol 60 unq 4 iso 0 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 11.1212 5.67502 8.7531 11.1899 numMergedOcc 0
12 mol 60 unq 5 iso 0 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 14.8574 10.1562 8.33063 17.3965 numMergedOcc 0
13 mol 60 unq 6 iso 0 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 11.1212 5.67502 8.7531 12.4656 numMergedOcc 0
14 mol 60 unq 7 iso 0 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 14.8574 10.1562 8.33063 13.1051 numMergedOcc 0
15 mol 60 unq 8 iso 0 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 11.1212 5.67502 8.7531 11.6311 numMergedOcc 0
16 mol 60 unq 9 iso 0 dist 8.82095 5.63638 6.65595 5.95814 9.25011 4.73512 6.27749 6.54743 8.90863 10.0828 numMergedOcc 0
17 mol 60 unq 10 iso 0 dist 8.82095 5.63638 6.65595 13.6099 6.43294 10.6819 6.27749 6.54743 8.90863 11.5843 numMergedOcc 0
18 mol 60 unq 11 iso 0 dist 8.82095 5.63638 6.65595 12.0142 8.52121 8.93946 6.27749 6.54743 8.90863 12.4757 numMergedOcc 0
19 mol 60 unq 12 iso 0 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 17.2674 10.1562 8.33063 16.4714 numMergedOcc 0
20 mol 60 unq 13 iso 0 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 10.5768 5.67502 8.7531 11.1899 numMergedOcc 0
21 mol 60 unq 14 iso 0 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 17.2674 10.1562 8.33063 17.3965 numMergedOcc 0
22 mol 60 unq 15 iso 0 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 10.5768 5.67502 8.7531 12.4656 numMergedOcc 0
23 mol 60 unq 16 iso 0 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 17.2674 10.1562 8.33063 13.1051 numMergedOcc 0
24 mol 60 unq 17 iso 0 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 10.5768 5.67502 8.7531 11.6311 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 11.7436 15.7123 9.38498 10.2049 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 14.4206 12.016 9.75218 11.6369 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 11.7436 15.7123 9.38498 20.257 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 14.4206 12.016 9.75218 10.1207 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 9.68526 15.7123 9.38498 10.2049 numMergedOcc 0
30 mol 73 unq 5 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 9.30776 12.016 9.75218 11.6369 numMergedOcc 0
31 mol 73 unq 6 iso 0 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 9.68526 15.7123 9.38498 20.257 numMergedOcc 0
32 mol 73 unq 7 iso 0 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 9.30776 12.016 9.75218 10.1207 numMergedOcc 0
33 mol 95 unq 0 iso 0 dist 8.54906 12.3193 9.01083 6.6292 7.88289 8.18643 12.848 5.53837 7.2658 11.152 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 6.29427 9.84395 13.1058 14.7579 7.22206 7.83136 16.5575 numMergedOcc 0
35 mol 117 unq 1 iso 0 dist 7.70533 14.3476 7.90328 6.29427 9.84395 13.1058 16.223 9.3584 7.0603 17.163 numMergedOcc 0
36 mol 117 unq 2 iso 0 dist 9.85576 10.4589 7.90328 14.2649 7.83136 7.22206 12.1493 13.1058 9.84395 16.5575 numMergedOcc 0
37 mol 117 unq 3 iso 0 dist 9.85576 10.4589 7.90328 9.53886 7.0603 9.3584 12.1493 13.1058 9.84395 17.163 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 11.1611 6.82262 5.61668 15.6584 6.65743 7.24514 10.2995 numMergedOcc 0
39 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 12.288 7.73169 5.50998 10.5524 5.32922 5.31024 7.26382 numMergedOcc 0
40 mol 142 unq 1 iso 0 dist 7.57458 13.1936 9.2313 14.2067 8.96657 11.1395 10.5524 5.32922 5.31024 11.0824 numMergedOcc 0
41 mol 142 unq 2 iso 0 dist 7.57458 12.288 7.73169 13.1936 9.2313 5.50998 10.5524 5.32922 7.26382 5.31024 numMergedOcc 0
42 mol 142 unq 3 iso 0 dist 7.57458 12.288 7.73169 14.2067 8.96657 5.92693 10.5524 5.32922 7.26382 11.0824 numMergedOcc 0
43 mol 152 unq 0 iso 0 dist 9.10619 13.9994 6.70283 9.66339 8.56324 7.65448 13.6844 5.42328 5.87555 10.399 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 9.66339 8.56324 7.65448 15.1988 6.4896 8.67331 14.1618 numMergedOcc 0
45 mol 152 unq 2 iso 0 dist 9.10619 13.9994 6.70283 14.2552 7.16148 5.49936 13.6844 5.42328 5.87555 8.87437 numMergedOcc 0
46 mol 152 unq 3 iso 0 dist 9.10619 13.9994 6.70283 14.2552 7.16148 5.49936 15.1988 6.4896 8.67331 8.05741 numMergedOcc 0
47 mol 152 unq 4 iso 0 dist 9.10619 14.2552 7.16148 9.66339 8.56324 10.6875 13.6844 5.42328 8.87437 10.399 numMergedOcc 0
48 mol 152 unq 5 iso 0 dist 9.10619 14.2552 7.16148 9.66339 8.56324 10.6875 15.1988 6.4896 8.05741 14.1618 numMergedOcc 0
49 mol 152 unq 6 iso 0 dist 9.10619 14.2552 7.16148 13.9994 6.70283 5.49936 13.6844 5.42328 8.87437 5.87555 numMergedOcc 0
50 mol 152 unq 7 iso 0 dist 9.10619 14.2552 7.16148 13.9994 6.70283 5.49936 15.1988 6.4896 8.05741 8.67331 numMergedOcc 0
51 mol 152 unq 8 iso 0 dist 9.74498 10.7816 8.67331 7.26476 8.05741 5.49936 12.7397 5.54906 5.87555 8.87437 numMergedOcc 0
52 mol 152 unq 9 iso 0 dist 9.74498 10.7816 8.67331 7.26476 8.05741 5.49936 13.0082 6.4896 6.70283 7.16148 numMergedOcc 0
53 mol 152 unq 10 iso 0 dist 9.74498 7.26476 8.05741 10.7816 8.67331 5.49936 12.7397 5.54906 8.87437 5.87555 numMergedOcc 0
54 mol 152 unq 11 iso 0 dist 9.74498 7.26476 8.05741 10.7816 8.67331 5.49936 13.0082 6.4896 7.16148 6.70283 numMergedOcc 0
55 mol 156 unq 0 iso 0 dist 7.30021 5.75141 8.94056 5.0966 7.44554 5.56175 10.6034 10.1658 7.66148 12.0598 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 7.30021 5.75141 8.94056 12.865 9.83699 11.2719 10.6034 10.1658 7.66148 15.1382 numMergedOcc 0
57 mol 175 unq 0 iso 0 dist 8.69888 11.5099 9.0018 5.50014 5.6234 6.2715 14.9263 7.42466 7.652 9.92231 numMergedOcc 0
58 mol 175 unq 1 iso 0 dist 8.69888 11.5099 9.0018 7.39186 6.57069 8.16421 14.9263 7.42466 7.652 10.2623 numMergedOcc 0
59 mol 175 unq 2 iso 0 dist 8.69888 5.50014 5.6234 11.5099 9.0018 6.2715 14.9263 7.42466 9.92231 7.652 numMergedOcc 0
60 mol 175 unq 3 iso 0 dist 8.69888 5.50014 5.6234 7.39186 6.57069 5.35493 14.9263 7.42466 9.92231 10.2623 numMergedOcc 0
61 mol 175 unq 4 iso 0 dist 5.08206 12.1783 9.0018 7.28617 5.6234 6.2715 11.7895 7.42466 7.652 9.92231 numMergedOcc 0
62 mol 175 unq 5 iso 0 dist 5.08206 12.1783 9.0018 5.77256 6.57069 8.16421 11.7895 7.42466 7.652 10.2623 numMergedOcc 0
63 mol 175 unq 6 iso 0 dist 5.08206 7.28617 5.6234 12.1783 9.0018 6.2715 11.7895 7.42466 9.92231 7.652 numMergedOcc 0
64 mol 175 unq 7 iso 0 dist 5.08206 7.28617 5.6234 5.77256 6.57069 5.35493 11.7895 7.42466 9.92231 10.2623 numMergedOcc 0
65 mol 224 unq 0 iso 0 dist 9.33771 4.91322 6.57273 5.41021 8.95269 4.70378 7.39839 5.0744 6.60589 9.99123 numMergedOcc 0
66 mol 224 unq 1 iso 0 dist 9.33771 4.91322 6.57273 12.979 5.78342 8.49799 7.39839 5.0744 6.60589 9.16166 numMergedOcc 0
67 mol 224 unq 2 iso 0 dist 9.33771 12.979 5.78342 5.41021 8.95269 11.5372 7.39839 5.0744 9.16166 9.99123 numMergedOcc 0
68 mol 224 unq 3 iso 0 dist 9.33771 12.979 5.78342 5.41021 8.95269 11.5372 13.527 5.60236 5.81334 14.0676 numMergedOcc 0
69 mol 224 unq 4 iso 0 dist 9.33771 12.979 5.78342 4.91322 6.57273 8.49799 7.39839 5.0744 9.16166 6.60589 numMergedOcc 0
70 mol 224 unq 5 iso 0 dist 9.33771 12.979 5.78342 4.91322 6.57273 8.49799 13.527 5.60236 5.81334 10.5128 numMergedOcc 0
71 mol 224 unq 6 iso 0 dist 7.39839 4.91322 6.60589 7.65225 6.65832 6.77699 9.33771 5.0744 6.57273 10.103 numMergedOcc 0
72 mol 224 unq 7 iso 0 dist 7.39839 4.91322 6.60589 12.979 9.16166 8.49799 9.33771 5.0744 6.57273 5.78342 numMergedOcc 0
73 mol 224 unq 8 iso 0 dist 7.39839 12.979 9.16166 7.65225 6.65832 11.328 9.33771 5.0744 5.78342 10.103 numMergedOcc 0
74 mol 224 unq 9 iso 0 dist 7.39839 12.979 9.16166 7.65225 6.65832 11.328 13.527 6.91102 5.81334 10.9745 numMergedOcc 0
75 mol 224 unq 10 iso 0 dist 7.39839 12.979 9.16166 4.91322 6.60589 8.49799 9.33771 5.0744 5.78342 6.57273 numMergedOcc 0
76 mol 224 unq 11 iso 0 dist 7.39839 12.979 9.16166 4.91322 6.60589 8.49799 13.527 6.91102 5.81334 10.5128 numMergedOcc 0
77 mol 224 unq 12 iso 0 dist 9.79616 5.63485 6.57273 9.36962 6.60589 5.0744 9.34636 4.70378 8.95269 9.99123 numMergedOcc 0
78 mol 224 unq 13 iso 0 dist 9.79616 5.63485 6.57273 9.36962 6.60589 5.0744 10.0081 8.49799 5.78342 9.16166 numMergedOcc 0
79 mol 224 unq 14 iso 0 dist 9.79616 9.36962 6.60589 5.63485 6.57273 5.0744 14.828 6.77699 6.65832 10.103 numMergedOcc 0
80 mol 224 unq 15 iso 0 dist 9.79616 9.36962 6.60589 5.63485 6.57273 5.0744 10.0081 8.49799 9.16166 5.78342 numMergedOcc 0
81 mol 224 unq 16 iso 0 dist 9.29703 4.8786 5.78342 7.18448 9.16166 5.0744 12.8171 11.5372 8.95269 9.99123 numMergedOcc 0
82 mol 224 unq 17 iso 0 dist 9.29703 4.8786 5.78342 7.18448 9.16166 5.0744 11.1052 8.49799 6.57273 6.60589 numMergedOcc 0
83 mol 224 unq 18 iso 0 dist 9.29703 4.8786 5.78342 6.38066 5.81334 5.60236 12.8171 11.5372 8.95269 14.0676 numMergedOcc 0
84 mol 224 unq 19 iso 0 dist 9.29703 4.8786 5.78342 6.38066 5.81334 5.60236 11.1052 8.49799 6.57273 10.5128 numMergedOcc 0
85 mol 224 unq 20 iso 0 dist 9.29703 7.18448 9.16166 4.8786 5.78342 5.0744 13.5897 11.328 6.65832 10.103 numMergedOcc 0
86 mol 224 unq 21 iso 0 dist 9.29703 7.18448 9.16166 4.8786 5.78342 5.0744 11.1052 8.49799 6.60589 6.57273 numMergedOcc 0
87 mol 224 unq 22 iso 0 dist 9.29703 7.18448 9.16166 6.38066 5.81334 6.91102 13.5897 11.328 6.65832 10.9745 numMergedOcc 0
88 mol 224 unq 23 iso 0 dist 9.29703 7.18448 9.16166 6.38066 5.81334 6.91102 11.1052 8.49799 6.60589 10.5128 numMergedOcc 0
89 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 13.0242 4.39704 7.09863 10.4905 numMergedOcc 0
90 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 13.0242 4.39704 7.09863 10.8157 numMergedOcc 0
91 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 13.0242 4.39704 7.09863 11.0431 numMergedOcc 0
92 mol 227 unq 3 iso 0 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 13.0242 4.39704 7.09863 10.0334 numMergedOcc 0
93 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 6.16697 9.45496 5.88703 10.6962 6.29886 8.34494 12.9605 numMergedOcc 0
94 mol 234 unq 1 iso 0 dist 5.89084 4.74041 6.56247 6.16697 9.45496 5.88703 8.47009 7.82322 9.36357 6.7625 numMergedOcc 0
95 mol 234 unq 2 iso 0 dist 5.89084 6.16697 9.45496 4.74041 6.56247 5.88703 8.47009 7.82322 6.7625 9.36357 numMergedOcc 0
96 mol 234 unq 3 iso 0 dist 8.47009 4.74041 9.36357 6.16697 6.7625 5.88703 10.6962 12.1694 8.34494 12.9605 numMergedOcc 0
97 mol 234 unq 4 iso 0 dist 8.47009 4.74041 9.36357 6.16697 6.7625 5.88703 5.89084 7.82322 6.56247 9.45496 numMergedOcc 0
98 mol 234 unq 5 iso 0 dist 8.47009 6.16697 6.7625 4.74041 9.36357 5.88703 5.89084 7.82322 9.45496 6.56247 numMergedOcc 0
99 mol 236 unq 0 iso 0 dist 8.77254 10.054 8.35971 5.74377 8.04248 7.43758 16.0921 14.2337 8.03456 15.1853 numMergedOcc 0
100 mol 236 unq 1 iso 0 dist 8.77254 10.054 8.35971 5.74377 8.04248 7.43758 16.2964 14.7998 6.84306 13.5269 numMergedOcc 0
101 mol 236 unq 2 iso 0 dist 8.77254 10.054 8.35971 5.74377 8.04248 7.43758 17.6586 10.7497 9.99038 15.7308 numMergedOcc 0
102 mol 236 unq 3 iso 0 dist 8.77254 10.054 8.35971 5.74377 8.04248 7.43758 13.4564 12.0369 9.78037 14.9122 numMergedOcc 0
103 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 12.5855 9.2288 8.41807 9.89226 6.0987 8.1148 8.1715 numMergedOcc 0
104 mol 252 unq 1 iso 0 dist 9.73021 16.5881 8.33025 5.26867 7.19638 14.9102 9.89226 6.0987 8.1148 10.5136 numMergedOcc 0
105 mol 252 unq 2 iso 0 dist 9.73021 12.5855 9.2288 16.5881 8.33025 8.41807 9.89226 6.0987 8.1715 8.1148 numMergedOcc 0
106 mol 252 unq 3 iso 0 dist 9.73021 12.5855 9.2288 5.26867 7.19638 11.7918 9.89226 6.0987 8.1715 10.5136 numMergedOcc 0
107 mol 259 unq 0 iso 0 dist 6.77279 5.71237 8.13497 7.55268 8.53687 10.582 9.58006 4.69778 7.88519 10.5767 numMergedOcc 0
108 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 9.10984 7.84554 4.86771 6.77279 4.69778 8.13497 9.95973 numMergedOcc 0
109 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 11.8501 7.46176 6.96053 6.77279 4.69778 8.13497 10.3935 numMergedOcc 0
110 mol 259 unq 3 iso 0 dist 9.58006 5.71237 7.88519 13.9868 9.18903 10.4881 6.77279 4.69778 8.13497 12.6839 numMergedOcc 0
111 mol 272 unq 0 iso 0 dist 9.1118 6.72149 8.46116 11.082 9.97651 8.12676 10.342 5.40809 8.33638 13.2494 numMergedOcc 0
