0 mol 20 unq 0 iso 0 dist 4.36087 7.09639 3.39356 3.21365 7.47395 9.78752 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 4.64187 7.95437 4.43305 3.60218 4.78873 8.03913 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.71074 5.64092 12.8321 7.18877 7.7485 12.4458 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.45099 8.44765 6.98219 3.35924 7.66068 9.5043 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.45099 9.06643 8.74837 3.35924 7.66068 8.34132 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 8.44765 5.45099 6.98219 3.35924 9.5043 7.66068 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 8.44765 9.06643 4.82479 3.35924 9.5043 8.34132 numMergedOcc 0
7 mol 76 unq 4 iso 0 dist 9.06643 5.45099 8.74837 3.35924 8.34132 7.66068 numMergedOcc 0
8 mol 76 unq 5 iso 0 dist 9.06643 8.44765 4.82479 3.35924 8.34132 9.5043 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 4.74254 4.78333 5.63083 7.19532 6.20144 10.5441 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 5.35861 8.61641 5.72008 3.62753 7.50925 11.9491 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 5.35861 8.61641 5.72008 3.65203 6.96722 7.61085 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 8.61641 5.35861 5.72008 3.65203 7.61085 6.96722 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 4.29937 5.37869 2.58673 3.65186 6.67137 7.04244 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 4.29937 5.37869 2.58673 12.2971 9.78707 9.63449 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 5.37869 4.29937 2.58673 10.0372 7.07839 9.52926 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 5.37869 4.29937 2.58673 3.65186 7.04244 6.67137 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 5.37869 4.29937 2.58673 11.7094 7.91193 10.4386 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 5.37869 4.29937 2.58673 11.8779 9.09711 10.9264 numMergedOcc 0
19 mol 85 unq 6 iso 0 dist 5.37869 4.29937 2.58673 12.2971 9.63449 9.78707 numMergedOcc 0
20 mol 85 unq 7 iso 0 dist 3.65628 4.05415 2.58673 7.00044 6.67137 7.04244 numMergedOcc 0
21 mol 85 unq 8 iso 0 dist 3.65628 4.05415 2.58673 8.64367 9.78707 9.63449 numMergedOcc 0
22 mol 85 unq 9 iso 0 dist 4.05415 3.65628 2.58673 8.78995 7.07839 9.52926 numMergedOcc 0
23 mol 85 unq 10 iso 0 dist 4.05415 3.65628 2.58673 7.00044 7.04244 6.67137 numMergedOcc 0
24 mol 85 unq 11 iso 0 dist 4.05415 3.65628 2.58673 10.7591 7.91193 10.4386 numMergedOcc 0
25 mol 85 unq 12 iso 0 dist 4.05415 3.65628 2.58673 12.4835 9.09711 10.9264 numMergedOcc 0
26 mol 85 unq 13 iso 0 dist 4.05415 3.65628 2.58673 8.64367 9.63449 9.78707 numMergedOcc 0
27 mol 85 unq 14 iso 0 dist 9.77774 9.97944 2.58673 16.1804 6.67137 7.04244 numMergedOcc 0
28 mol 85 unq 15 iso 0 dist 9.77774 9.97944 2.58673 3.21259 9.78707 9.63449 numMergedOcc 0
29 mol 85 unq 16 iso 0 dist 9.97944 9.77774 2.58673 14.2664 7.07839 9.52926 numMergedOcc 0
30 mol 85 unq 17 iso 0 dist 9.97944 9.77774 2.58673 16.1804 7.04244 6.67137 numMergedOcc 0
31 mol 85 unq 18 iso 0 dist 9.97944 9.77774 2.58673 15.1209 7.91193 10.4386 numMergedOcc 0
32 mol 85 unq 19 iso 0 dist 9.97944 9.77774 2.58673 17.9023 9.09711 10.9264 numMergedOcc 0
33 mol 85 unq 20 iso 0 dist 9.97944 9.77774 2.58673 3.21259 9.63449 9.78707 numMergedOcc 0
34 mol 93 unq 0 iso 0 dist 9.40687 6.67678 10.4844 13.6138 9.66837 17.7956 numMergedOcc 0
35 mol 93 unq 1 iso 0 dist 9.40687 7.24956 10.3262 13.6138 9.66837 16.8842 numMergedOcc 0
36 mol 93 unq 2 iso 0 dist 9.40687 8.28591 5.02964 13.6138 9.66837 11.5475 numMergedOcc 0
37 mol 93 unq 3 iso 0 dist 8.84576 5.35008 5.02964 12.3588 9.66837 11.5475 numMergedOcc 0
38 mol 93 unq 4 iso 0 dist 7.39732 8.30921 5.02964 4.98621 9.66837 11.5475 numMergedOcc 0
39 mol 93 unq 5 iso 0 dist 7.39732 9.67744 5.30633 4.98621 9.66837 12.6171 numMergedOcc 0
40 mol 107 unq 0 iso 0 dist 7.91251 9.09262 13.5807 5.88785 8.88124 8.19484 numMergedOcc 0
41 mol 107 unq 1 iso 0 dist 9.09262 7.91251 13.5807 5.88785 8.19484 8.88124 numMergedOcc 0
42 mol 113 unq 0 iso 0 dist 4.30875 8.65807 9.78508 3.52445 7.02358 11.6135 numMergedOcc 0
43 mol 147 unq 0 iso 0 dist 5.12272 8.7121 4.68125 3.7729 3.82583 8.25768 numMergedOcc 0
44 mol 147 unq 1 iso 0 dist 5.12272 8.7121 4.68125 6.34165 5.19116 8.71702 numMergedOcc 0
45 mol 147 unq 2 iso 0 dist 8.7121 5.12272 4.68125 3.7729 8.25768 3.82583 numMergedOcc 0
46 mol 147 unq 3 iso 0 dist 8.7121 5.12272 4.68125 6.34165 8.71702 5.19116 numMergedOcc 0
47 mol 168 unq 0 iso 0 dist 7.0961 8.26768 5.29906 6.06538 5.86767 10.293 numMergedOcc 0
48 mol 168 unq 1 iso 0 dist 7.0961 8.26768 5.29906 10.919 5.28353 10.3204 numMergedOcc 0
49 mol 169 unq 0 iso 0 dist 4.11374 8.37602 9.48187 3.59996 6.96715 11.3131 numMergedOcc 0
50 mol 169 unq 1 iso 0 dist 7.65903 5.97653 5.23644 3.18152 5.10589 4.63336 numMergedOcc 0
51 mol 169 unq 2 iso 0 dist 7.65903 7.75523 7.52063 3.18152 5.10589 6.10715 numMergedOcc 0
52 mol 169 unq 3 iso 0 dist 5.97653 7.65903 5.23644 3.18152 4.63336 5.10589 numMergedOcc 0
53 mol 169 unq 4 iso 0 dist 5.97653 7.75523 3.74306 3.18152 4.63336 6.10715 numMergedOcc 0
54 mol 169 unq 5 iso 0 dist 7.75523 7.65903 7.52063 3.18152 6.10715 5.10589 numMergedOcc 0
55 mol 169 unq 6 iso 0 dist 7.75523 5.97653 3.74306 3.18152 6.10715 4.63336 numMergedOcc 0
56 mol 194 unq 0 iso 0 dist 4.45769 5.89939 3.78714 9.23342 5.10542 4.68722 numMergedOcc 0
57 mol 194 unq 1 iso 0 dist 5.89939 4.45769 3.78714 9.23342 4.68722 5.10542 numMergedOcc 0
58 mol 194 unq 2 iso 0 dist 5.89939 4.45769 3.78714 10.3782 5.18325 7.52366 numMergedOcc 0
59 mol 194 unq 3 iso 0 dist 8.99961 8.18853 3.78714 11.7699 5.10542 4.68722 numMergedOcc 0
60 mol 194 unq 4 iso 0 dist 8.18853 8.99961 3.78714 11.7699 4.68722 5.10542 numMergedOcc 0
61 mol 194 unq 5 iso 0 dist 8.18853 8.99961 3.78714 13.0759 5.18325 7.52366 numMergedOcc 0
62 mol 204 unq 0 iso 0 dist 7.33774 6.39122 8.59834 4.7839 8.32259 8.54737 numMergedOcc 0
63 mol 204 unq 1 iso 0 dist 7.33774 6.39122 8.59834 4.05102 9.93489 7.64057 numMergedOcc 0
64 mol 204 unq 2 iso 0 dist 6.39122 7.33774 8.59834 4.7839 8.54737 8.32259 numMergedOcc 0
65 mol 204 unq 3 iso 0 dist 6.39122 7.33774 8.59834 4.05102 7.64057 9.93489 numMergedOcc 0
66 mol 204 unq 4 iso 0 dist 8.23717 7.98864 2.95898 5.80328 8.32259 9.93489 numMergedOcc 0
67 mol 204 unq 5 iso 0 dist 8.23717 7.98864 2.95898 3.68217 8.54737 7.64057 numMergedOcc 0
68 mol 204 unq 6 iso 0 dist 7.98864 8.23717 2.95898 5.80328 9.93489 8.32259 numMergedOcc 0
69 mol 204 unq 7 iso 0 dist 7.98864 8.23717 2.95898 3.68217 7.64057 8.54737 numMergedOcc 0
70 mol 214 unq 0 iso 0 dist 8.49349 6.50654 10.5332 4.84709 8.66082 7.96338 numMergedOcc 0
71 mol 214 unq 1 iso 0 dist 6.50654 8.49349 10.5332 4.84709 7.96338 8.66082 numMergedOcc 0
72 mol 214 unq 2 iso 0 dist 6.50654 8.49349 10.5332 4.16963 7.42759 10.7359 numMergedOcc 0
73 mol 214 unq 3 iso 0 dist 7.70062 7.66702 2.86233 7.87816 8.66082 10.7359 numMergedOcc 0
74 mol 214 unq 4 iso 0 dist 7.70062 7.66702 2.86233 3.64285 7.96338 7.42759 numMergedOcc 0
75 mol 214 unq 5 iso 0 dist 7.66702 7.70062 2.86233 3.64285 7.42759 7.96338 numMergedOcc 0
76 mol 266 unq 0 iso 0 dist 7.72861 8.20376 11.938 3.14784 7.8598 8.25286 numMergedOcc 0
77 mol 266 unq 1 iso 0 dist 7.72861 8.20376 11.938 5.95721 7.80711 9.9965 numMergedOcc 0
78 mol 266 unq 2 iso 0 dist 8.20376 7.72861 11.938 3.68488 6.96692 10.9313 numMergedOcc 0
79 mol 266 unq 3 iso 0 dist 8.20376 7.72861 11.938 3.14784 8.25286 7.8598 numMergedOcc 0
80 mol 266 unq 4 iso 0 dist 8.20376 7.72861 11.938 5.95721 9.9965 7.80711 numMergedOcc 0
81 mol 285 unq 0 iso 0 dist 4.27826 5.82074 4.87372 3.14843 5.88958 7.78121 numMergedOcc 0
82 mol 285 unq 1 iso 0 dist 5.82074 4.27826 4.87372 3.14843 7.78121 5.88958 numMergedOcc 0
