0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 11.8413 5.38671 5.05803 6.92781 5.46269 9.79958 10.8455 7.63133 12.5273 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 15.7652 10.323 8.80331 8.13395 12.7846 13.964 5.06502 5.73819 10.5523 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 15.7652 10.323 8.80331 8.13395 11.6244 15.3221 6.45462 8.93915 14.7803 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 9.17086 10.323 8.80331 8.13395 7.74524 13.964 5.06502 5.73819 10.5523 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 9.17086 10.323 8.80331 8.13395 10.5661 15.3221 6.45462 8.93915 14.7803 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.2472 10.9885 9.25011 4.73512 10.1814 10.9217 6.54743 8.90863 10.0828 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 12.177 9.96073 6.43294 10.6819 10.1814 10.9217 6.54743 8.90863 11.5843 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.7815 11.2445 8.52121 8.93946 10.1814 10.9217 6.54743 8.90863 12.4757 numMergedOcc 0
8 mol 60 unq 3 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 9.92844 6.62193 6.65595 10.6819 14.1431 14.8574 10.1562 8.33063 16.4714 numMergedOcc 0
9 mol 60 unq 4 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 9.92844 6.62193 6.65595 10.6819 10.0783 11.1212 5.67502 8.7531 11.1899 numMergedOcc 0
10 mol 60 unq 5 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.2472 10.9885 9.25011 11.3621 14.1431 14.8574 10.1562 8.33063 17.3965 numMergedOcc 0
11 mol 60 unq 6 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.2472 10.9885 9.25011 11.3621 10.0783 11.1212 5.67502 8.7531 12.4656 numMergedOcc 0
12 mol 60 unq 7 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.7815 11.2445 8.52121 5.51199 14.1431 14.8574 10.1562 8.33063 13.1051 numMergedOcc 0
13 mol 60 unq 8 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.7815 11.2445 8.52121 5.51199 10.0783 11.1212 5.67502 8.7531 11.6311 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 8.124 5.2774 6.19304 5.4148 5.33851 11.7436 15.7123 9.38498 10.2049 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 8.124 5.2774 6.19304 5.4148 15.7164 14.4206 12.016 9.75218 11.6369 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 19.5696 13.9156 8.70481 14.9342 5.33851 11.7436 15.7123 9.38498 20.257 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 19.5696 13.9156 8.70481 14.9342 15.7164 14.4206 12.016 9.75218 10.1207 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 8.124 5.44275 6.19304 5.4148 5.33851 9.68526 15.7123 9.38498 10.2049 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 8.124 5.44275 6.19304 5.4148 15.7164 9.30776 12.016 9.75218 11.6369 numMergedOcc 0
20 mol 73 unq 6 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 19.5696 11.2674 8.70481 14.9342 5.33851 9.68526 15.7123 9.38498 20.257 numMergedOcc 0
21 mol 73 unq 7 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 19.5696 11.2674 8.70481 14.9342 15.7164 9.30776 12.016 9.75218 10.1207 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 10.9082 5.44275 6.19304 5.4148 13.6586 9.68526 15.7123 9.38498 10.2049 numMergedOcc 0
23 mol 73 unq 9 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 10.9082 5.44275 6.19304 5.4148 4.15333 9.30776 12.016 9.75218 11.6369 numMergedOcc 0
24 mol 73 unq 10 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 8.16299 11.2674 8.70481 14.9342 13.6586 9.68526 15.7123 9.38498 20.257 numMergedOcc 0
25 mol 73 unq 11 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 8.16299 11.2674 8.70481 14.9342 4.15333 9.30776 12.016 9.75218 10.1207 numMergedOcc 0
26 mol 73 unq 12 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 11.801 5.2774 6.19304 5.4148 16.8585 11.7436 15.7123 9.38498 10.2049 numMergedOcc 0
27 mol 73 unq 13 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 11.801 5.2774 6.19304 5.4148 16.0481 14.4206 12.016 9.75218 11.6369 numMergedOcc 0
28 mol 73 unq 14 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 12.2721 13.9156 8.70481 14.9342 16.8585 11.7436 15.7123 9.38498 20.257 numMergedOcc 0
29 mol 73 unq 15 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 12.2721 13.9156 8.70481 14.9342 16.0481 14.4206 12.016 9.75218 10.1207 numMergedOcc 0
30 mol 73 unq 16 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 11.801 5.44275 6.19304 5.4148 16.8585 9.68526 15.7123 9.38498 10.2049 numMergedOcc 0
31 mol 73 unq 17 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 11.801 5.44275 6.19304 5.4148 16.0481 9.30776 12.016 9.75218 11.6369 numMergedOcc 0
32 mol 73 unq 18 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 12.2721 11.2674 8.70481 14.9342 16.8585 9.68526 15.7123 9.38498 20.257 numMergedOcc 0
33 mol 73 unq 19 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 12.2721 11.2674 8.70481 14.9342 16.0481 9.30776 12.016 9.75218 10.1207 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 8.81172 6.29427 9.84395 13.1058 11.8951 14.7579 7.22206 7.83136 16.5575 numMergedOcc 0
35 mol 117 unq 1 iso 0 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 8.81172 6.29427 9.84395 13.1058 11.7058 16.223 9.3584 7.0603 17.163 numMergedOcc 0
36 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 11.0698 14.2649 7.83136 7.22206 8.12649 12.1493 13.1058 9.84395 16.5575 numMergedOcc 0
37 mol 117 unq 3 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 10.5123 9.53886 7.0603 9.3584 8.12649 12.1493 13.1058 9.84395 17.163 numMergedOcc 0
38 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.2109 12.288 7.73169 5.50998 10.1512 10.5524 5.32922 5.31024 7.26382 numMergedOcc 0
39 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.7988 14.2067 8.96657 11.1395 10.1512 10.5524 5.32922 5.31024 11.0824 numMergedOcc 0
40 mol 142 unq 2 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 14.3662 13.1936 9.2313 5.50998 10.1512 10.5524 5.32922 7.26382 5.31024 numMergedOcc 0
41 mol 142 unq 3 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 13.7988 14.2067 8.96657 5.92693 10.1512 10.5524 5.32922 7.26382 11.0824 numMergedOcc 0
42 mol 142 unq 4 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 10.5719 12.288 7.73169 5.50998 5.50176 10.5524 5.32922 5.31024 7.26382 numMergedOcc 0
43 mol 142 unq 5 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 15.3413 14.2067 8.96657 11.1395 5.50176 10.5524 5.32922 5.31024 11.0824 numMergedOcc 0
44 mol 142 unq 6 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 7.15087 13.1936 9.2313 5.50998 5.50176 10.5524 5.32922 7.26382 5.31024 numMergedOcc 0
45 mol 142 unq 7 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 15.3413 14.2067 8.96657 5.92693 5.50176 10.5524 5.32922 7.26382 11.0824 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 15.3848 9.66339 8.56324 7.65448 12.5832 13.6844 5.42328 5.87555 10.399 numMergedOcc 0
47 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 15.3848 9.66339 8.56324 7.65448 12.3114 15.1988 6.4896 8.67331 14.1618 numMergedOcc 0
48 mol 152 unq 2 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 16.0158 14.2552 7.16148 5.49936 12.5832 13.6844 5.42328 5.87555 8.87437 numMergedOcc 0
49 mol 152 unq 3 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 16.0158 14.2552 7.16148 5.49936 12.3114 15.1988 6.4896 8.67331 8.05741 numMergedOcc 0
50 mol 152 unq 4 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 15.3848 9.66339 8.56324 10.6875 12.5832 13.6844 5.42328 8.87437 10.399 numMergedOcc 0
51 mol 152 unq 5 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 15.3848 9.66339 8.56324 10.6875 12.3114 15.1988 6.4896 8.05741 14.1618 numMergedOcc 0
52 mol 152 unq 6 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 16.0753 13.9994 6.70283 5.49936 12.5832 13.6844 5.42328 8.87437 5.87555 numMergedOcc 0
53 mol 152 unq 7 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 16.0753 13.9994 6.70283 5.49936 12.3114 15.1988 6.4896 8.05741 8.67331 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 9.19499 5.0966 7.44554 5.56175 5.59399 10.6034 10.1658 7.66148 12.0598 numMergedOcc 0
55 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 13.581 12.865 9.83699 11.2719 5.59399 10.6034 10.1658 7.66148 15.1382 numMergedOcc 0
56 mol 156 unq 2 iso 0 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 9.97623 5.0966 7.44554 5.56175 18.8819 10.6034 10.1658 7.66148 12.0598 numMergedOcc 0
57 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 16.944 12.865 9.83699 11.2719 18.8819 10.6034 10.1658 7.66148 15.1382 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 12.0295 9.36962 6.60589 5.0744 11.8217 9.34636 4.70378 8.95269 9.99123 numMergedOcc 0
59 mol 224 unq 1 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 12.0295 9.36962 6.60589 5.0744 5.44863 10.0081 8.49799 5.78342 9.16166 numMergedOcc 0
60 mol 224 unq 2 iso 0 dist 7.7163 10.8463 9.79616 12.0295 9.36962 6.60589 7.07564 5.63485 6.57273 5.0744 15.6183 14.828 6.77699 6.65832 10.103 numMergedOcc 0
61 mol 224 unq 3 iso 0 dist 7.7163 10.8463 9.79616 12.0295 9.36962 6.60589 7.07564 5.63485 6.57273 5.0744 5.44863 10.0081 8.49799 9.16166 5.78342 numMergedOcc 0
62 mol 224 unq 4 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 12.0295 7.18448 9.16166 5.0744 11.8217 12.8171 11.5372 8.95269 9.99123 numMergedOcc 0
63 mol 224 unq 5 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 12.0295 7.18448 9.16166 5.0744 10.8463 11.1052 8.49799 6.57273 6.60589 numMergedOcc 0
64 mol 224 unq 6 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 9.11052 6.38066 5.81334 5.60236 11.8217 12.8171 11.5372 8.95269 14.0676 numMergedOcc 0
65 mol 224 unq 7 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 9.11052 6.38066 5.81334 5.60236 10.8463 11.1052 8.49799 6.57273 10.5128 numMergedOcc 0
66 mol 224 unq 8 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 7.07564 4.8786 5.78342 5.0744 15.6183 13.5897 11.328 6.65832 10.103 numMergedOcc 0
67 mol 224 unq 9 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 7.07564 4.8786 5.78342 5.0744 10.8463 11.1052 8.49799 6.60589 6.57273 numMergedOcc 0
68 mol 224 unq 10 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 9.11052 6.38066 5.81334 6.91102 15.6183 13.5897 11.328 6.65832 10.9745 numMergedOcc 0
69 mol 224 unq 11 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 9.11052 6.38066 5.81334 6.91102 10.8463 11.1052 8.49799 6.60589 10.5128 numMergedOcc 0
70 mol 224 unq 12 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 15.8289 9.36962 6.60589 5.0744 11.9904 9.34636 4.70378 8.95269 9.99123 numMergedOcc 0
71 mol 224 unq 13 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 15.8289 9.36962 6.60589 5.0744 10.366 10.0081 8.49799 5.78342 9.16166 numMergedOcc 0
72 mol 224 unq 14 iso 0 dist 9.06201 13.0574 9.79616 15.8289 9.36962 6.60589 10.9817 5.63485 6.57273 5.0744 19.1175 14.828 6.77699 6.65832 10.103 numMergedOcc 0
73 mol 224 unq 15 iso 0 dist 9.06201 13.0574 9.79616 15.8289 9.36962 6.60589 10.9817 5.63485 6.57273 5.0744 10.366 10.0081 8.49799 9.16166 5.78342 numMergedOcc 0
74 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 7.74349 13.0242 4.39704 7.09863 10.4905 numMergedOcc 0
75 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 7.74349 13.0242 4.39704 7.09863 10.8157 numMergedOcc 0
76 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 7.74349 13.0242 4.39704 7.09863 11.0431 numMergedOcc 0
77 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 7.74349 13.0242 4.39704 7.09863 10.0334 numMergedOcc 0
78 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 15.1557 12.5855 9.2288 8.41807 11.2158 9.89226 6.0987 8.1148 8.1715 numMergedOcc 0
79 mol 252 unq 1 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 13.0796 5.26867 7.19638 14.9102 11.2158 9.89226 6.0987 8.1148 10.5136 numMergedOcc 0
80 mol 252 unq 2 iso 0 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 19.1239 16.5881 8.33025 8.41807 11.2158 9.89226 6.0987 8.1715 8.1148 numMergedOcc 0
81 mol 252 unq 3 iso 0 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 13.0796 5.26867 7.19638 11.7918 11.2158 9.89226 6.0987 8.1715 10.5136 numMergedOcc 0
82 mol 252 unq 4 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 19.2417 12.5855 9.2288 8.41807 12.8505 9.89226 6.0987 8.1148 8.1715 numMergedOcc 0
83 mol 252 unq 5 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 13.4304 5.26867 7.19638 14.9102 12.8505 9.89226 6.0987 8.1148 10.5136 numMergedOcc 0
84 mol 252 unq 6 iso 0 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 20.6773 16.5881 8.33025 8.41807 12.8505 9.89226 6.0987 8.1715 8.1148 numMergedOcc 0
85 mol 252 unq 7 iso 0 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 13.4304 5.26867 7.19638 11.7918 12.8505 9.89226 6.0987 8.1715 10.5136 numMergedOcc 0
86 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 13.8844 5.71237 8.13497 14.3065 7.55268 8.53687 10.582 16.6792 9.58006 4.69778 7.88519 10.5767 numMergedOcc 0
87 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.1068 9.10984 7.84554 4.86771 12.4673 6.77279 4.69778 8.13497 9.95973 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.6945 11.8501 7.46176 6.96053 12.4673 6.77279 4.69778 8.13497 10.3935 numMergedOcc 0
89 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 22.9986 13.9868 9.18903 10.4881 12.4673 6.77279 4.69778 8.13497 12.6839 numMergedOcc 0
