0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 5.46269 9.79958 10.8455 7.63133 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 12.7846 13.964 5.06502 5.73819 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 11.6244 15.3221 6.45462 8.93915 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 7.74524 13.964 5.06502 5.73819 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 10.5661 15.3221 6.45462 8.93915 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 10.1814 10.9217 6.54743 8.90863 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.1431 14.8574 10.1562 8.33063 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 10.0783 11.1212 5.67502 8.7531 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 5.33851 11.7436 15.7123 9.38498 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 15.7164 14.4206 12.016 9.75218 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.40844 5.33851 9.68526 10.1112 8.31041 9.38498 13.4367 7.26679 15.7123 9.96396 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.40844 5.33851 9.68526 10.1112 8.31041 9.38498 15.7164 9.30776 13.7412 9.75218 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 5.33851 9.68526 15.7123 9.38498 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 15.7164 9.30776 12.016 9.75218 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 8.40844 15.7164 9.30776 10.1112 8.31041 9.75218 13.4367 7.26679 12.016 9.96396 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 8.40844 15.7164 9.30776 10.1112 8.31041 9.75218 5.33851 9.68526 13.7412 9.38498 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 6.99156 5.33851 9.72442 10.1112 11.7069 9.38498 13.4367 10.1503 15.7123 9.96396 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 6.99156 5.33851 9.72442 10.1112 11.7069 9.38498 15.7164 13.2514 13.7412 9.75218 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 7.02351 13.6586 9.68526 11.0108 8.31041 9.38498 10.3774 7.26679 15.7123 9.96396 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 7.02351 13.6586 9.68526 11.0108 8.31041 9.38498 4.15333 9.30776 13.7412 9.75218 numMergedOcc 0
20 mol 73 unq 12 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 13.6586 9.68526 15.7123 9.38498 numMergedOcc 0
21 mol 73 unq 13 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 4.15333 9.30776 12.016 9.75218 numMergedOcc 0
22 mol 73 unq 14 iso 0 dist 7.02351 4.15333 9.30776 11.0108 8.31041 9.75218 10.3774 7.26679 12.016 9.96396 numMergedOcc 0
23 mol 73 unq 15 iso 0 dist 7.02351 4.15333 9.30776 11.0108 8.31041 9.75218 13.6586 9.68526 13.7412 9.38498 numMergedOcc 0
24 mol 73 unq 16 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 16.8585 11.7436 15.7123 9.38498 numMergedOcc 0
25 mol 73 unq 17 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 16.0481 14.4206 12.016 9.75218 numMergedOcc 0
26 mol 73 unq 18 iso 0 dist 8.66342 16.8585 9.68526 16.3948 8.31041 9.38498 9.64124 7.26679 15.7123 9.96396 numMergedOcc 0
27 mol 73 unq 19 iso 0 dist 8.66342 16.8585 9.68526 16.3948 8.31041 9.38498 16.0481 9.30776 13.7412 9.75218 numMergedOcc 0
28 mol 73 unq 20 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 16.8585 9.68526 15.7123 9.38498 numMergedOcc 0
29 mol 73 unq 21 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 16.0481 9.30776 12.016 9.75218 numMergedOcc 0
30 mol 73 unq 22 iso 0 dist 8.66342 16.0481 9.30776 16.3948 8.31041 9.75218 9.64124 7.26679 12.016 9.96396 numMergedOcc 0
31 mol 73 unq 23 iso 0 dist 8.66342 16.0481 9.30776 16.3948 8.31041 9.75218 16.8585 9.68526 13.7412 9.38498 numMergedOcc 0
32 mol 73 unq 24 iso 0 dist 7.21285 16.8585 9.72442 16.3948 11.7069 9.38498 9.64124 10.1503 15.7123 9.96396 numMergedOcc 0
33 mol 73 unq 25 iso 0 dist 7.21285 16.8585 9.72442 16.3948 11.7069 9.38498 16.0481 13.2514 13.7412 9.75218 numMergedOcc 0
34 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 11.1915 11.8037 7.4729 10.8489 13.0248 8.95922 6.82344 numMergedOcc 0
35 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 11.8951 14.7579 7.22206 7.83136 numMergedOcc 0
36 mol 117 unq 1 iso 0 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 11.7058 16.223 9.3584 7.0603 numMergedOcc 0
37 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 8.12649 12.1493 13.1058 9.84395 numMergedOcc 0
38 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 12.0117 14.257 6.85062 15.3291 19.4361 10.7062 8.40312 numMergedOcc 0
39 mol 131 unq 1 iso 0 dist 5.50364 5.29825 8.97145 12.0117 14.257 6.85062 10.7111 14.5129 6.63273 7.12972 numMergedOcc 0
40 mol 131 unq 2 iso 0 dist 8.7301 5.29825 6.5874 12.0117 7.60371 6.85062 15.3291 15.1013 10.7062 8.40312 numMergedOcc 0
41 mol 131 unq 3 iso 0 dist 8.7301 5.29825 6.5874 12.0117 7.60371 6.85062 10.7111 11.4628 6.63273 7.12972 numMergedOcc 0
42 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 10.1512 10.5524 5.32922 5.31024 numMergedOcc 0
43 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 10.1512 10.5524 5.32922 7.26382 numMergedOcc 0
44 mol 142 unq 2 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 5.50176 10.5524 5.32922 5.31024 numMergedOcc 0
45 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 5.50176 10.5524 5.32922 7.26382 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 12.5832 13.6844 5.42328 5.87555 numMergedOcc 0
47 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 12.3114 15.1988 6.4896 8.67331 numMergedOcc 0
48 mol 152 unq 2 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 12.5832 13.6844 5.42328 8.87437 numMergedOcc 0
49 mol 152 unq 3 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 12.3114 15.1988 6.4896 8.05741 numMergedOcc 0
50 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 5.59399 10.6034 10.1658 7.66148 numMergedOcc 0
51 mol 156 unq 1 iso 0 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 18.8819 10.6034 10.1658 7.66148 numMergedOcc 0
52 mol 156 unq 2 iso 0 dist 8.79185 5.59399 6.71202 7.11647 5.70205 7.66148 5.66289 10.0734 10.1658 8.94056 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 4.35909 5.32859 7.44191 11.0615 9.60754 8.03334 18.0406 18.07 13.2049 9.1374 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 5.77393 5.32859 6.00053 11.0615 11.1879 8.03334 18.0406 16.1735 13.2049 9.1374 numMergedOcc 0
55 mol 220 unq 0 iso 0 dist 8.58709 5.1021 9.8711 6.21273 4.90657 9.23153 6.29601 12.6756 10.5449 8.24498 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 7.46044 13.1803 9.75313 10.6043 6.46679 6.61986 14.0352 14.4547 9.54151 9.40098 numMergedOcc 0
57 mol 224 unq 1 iso 0 dist 4.99301 5.25583 6.56437 13.0296 14.2632 8.95269 6.80001 9.2491 4.70378 6.57273 numMergedOcc 0
58 mol 224 unq 2 iso 0 dist 4.99301 5.25583 6.56437 13.0296 14.2632 8.95269 14.6635 17.4981 11.5372 5.78342 numMergedOcc 0
59 mol 224 unq 3 iso 0 dist 6.36813 5.25583 6.23882 13.0296 15.0038 8.95269 6.80001 10.6031 4.70378 6.57273 numMergedOcc 0
60 mol 224 unq 4 iso 0 dist 6.36813 5.25583 6.23882 13.0296 15.0038 8.95269 14.6635 17.1183 11.5372 5.78342 numMergedOcc 0
61 mol 224 unq 5 iso 0 dist 7.7163 11.8217 9.34636 7.07564 5.63485 8.95269 10.8463 9.79616 4.70378 6.57273 numMergedOcc 0
62 mol 224 unq 6 iso 0 dist 7.7163 11.8217 9.34636 7.07564 5.63485 8.95269 5.44863 10.0081 11.5372 5.78342 numMergedOcc 0
63 mol 224 unq 7 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 11.8217 9.34636 4.70378 8.95269 numMergedOcc 0
64 mol 224 unq 8 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 5.44863 10.0081 8.49799 5.78342 numMergedOcc 0
65 mol 224 unq 9 iso 0 dist 7.7163 10.8463 9.79616 12.0295 9.36962 6.60589 15.6183 14.828 6.77699 6.65832 numMergedOcc 0
66 mol 224 unq 10 iso 0 dist 7.7163 10.8463 9.79616 12.0295 9.36962 6.60589 5.44863 10.0081 8.49799 9.16166 numMergedOcc 0
67 mol 224 unq 11 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 11.8217 12.8171 11.5372 8.95269 numMergedOcc 0
68 mol 224 unq 12 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 10.8463 11.1052 8.49799 6.57273 numMergedOcc 0
69 mol 224 unq 13 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 15.6183 13.5897 11.328 6.65832 numMergedOcc 0
70 mol 224 unq 14 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 10.8463 11.1052 8.49799 6.60589 numMergedOcc 0
71 mol 224 unq 15 iso 0 dist 9.06201 11.9904 9.34636 10.9817 5.63485 8.95269 13.0574 9.79616 4.70378 6.57273 numMergedOcc 0
72 mol 224 unq 16 iso 0 dist 9.06201 11.9904 9.34636 10.9817 5.63485 8.95269 10.366 10.0081 11.5372 5.78342 numMergedOcc 0
73 mol 224 unq 17 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 11.9904 9.34636 4.70378 8.95269 numMergedOcc 0
74 mol 224 unq 18 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 10.366 10.0081 8.49799 5.78342 numMergedOcc 0
75 mol 224 unq 19 iso 0 dist 9.06201 13.0574 9.79616 15.8289 9.36962 6.60589 19.1175 14.828 6.77699 6.65832 numMergedOcc 0
76 mol 224 unq 20 iso 0 dist 9.06201 13.0574 9.79616 15.8289 9.36962 6.60589 10.366 10.0081 8.49799 9.16166 numMergedOcc 0
77 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.74349 13.0242 4.39704 7.09863 numMergedOcc 0
78 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 11.2158 9.89226 6.0987 8.1148 numMergedOcc 0
79 mol 252 unq 1 iso 0 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 11.2158 9.89226 6.0987 8.1715 numMergedOcc 0
80 mol 252 unq 2 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 12.8505 9.89226 6.0987 8.1148 numMergedOcc 0
81 mol 252 unq 3 iso 0 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 12.8505 9.89226 6.0987 8.1715 numMergedOcc 0
82 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 13.8844 5.71237 8.13497 16.6792 9.58006 4.69778 7.88519 numMergedOcc 0
83 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 12.4673 6.77279 4.69778 8.13497 numMergedOcc 0
84 mol 280 unq 0 iso 0 dist 9.9227 5.80223 8.85762 8.80588 4.95798 6.0664 8.30978 11.1402 5.51836 6.53701 numMergedOcc 0
