0 mol 76 unq 0 iso 0 dist 5.45099 8.44765 6.98219 3.35924 7.66068 9.5043 numMergedOcc 0
1 mol 76 unq 0 iso 1 dist 8.44765 5.45099 6.98219 3.35924 9.5043 7.66068 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 5.45099 9.06643 8.74837 3.35924 7.66068 8.34132 numMergedOcc 0
3 mol 76 unq 1 iso 1 dist 9.06643 5.45099 8.74837 3.35924 8.34132 7.66068 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.44765 9.06643 4.82479 3.35924 9.5043 8.34132 numMergedOcc 0
5 mol 76 unq 1 iso 1 dist 9.06643 8.44765 4.82479 3.35924 8.34132 9.5043 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 5.35861 8.61641 5.72008 3.65203 6.96722 7.61085 numMergedOcc 0
7 mol 83 unq 0 iso 1 dist 8.61641 5.35861 5.72008 3.65203 7.61085 6.96722 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 4.29937 5.37869 2.58673 3.65186 6.67137 7.04244 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 5.37869 4.29937 2.58673 3.65186 7.04244 6.67137 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 4.29937 5.37869 2.58673 12.2971 9.78707 9.63449 numMergedOcc 0
11 mol 85 unq 1 iso 1 dist 5.37869 4.29937 2.58673 12.2971 9.63449 9.78707 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 3.65628 4.05415 2.58673 7.00044 6.67137 7.04244 numMergedOcc 0
13 mol 85 unq 2 iso 1 dist 4.05415 3.65628 2.58673 7.00044 7.04244 6.67137 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 3.65628 4.05415 2.58673 8.64367 9.78707 9.63449 numMergedOcc 0
15 mol 85 unq 3 iso 1 dist 4.05415 3.65628 2.58673 8.64367 9.63449 9.78707 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 9.77774 9.97944 2.58673 16.1804 6.67137 7.04244 numMergedOcc 0
17 mol 85 unq 4 iso 1 dist 9.97944 9.77774 2.58673 16.1804 7.04244 6.67137 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 9.77774 9.97944 2.58673 3.21259 9.78707 9.63449 numMergedOcc 0
19 mol 85 unq 5 iso 1 dist 9.97944 9.77774 2.58673 3.21259 9.63449 9.78707 numMergedOcc 0
20 mol 107 unq 0 iso 0 dist 7.91251 9.09262 13.5807 5.88785 8.88124 8.19484 numMergedOcc 0
21 mol 107 unq 0 iso 1 dist 9.09262 7.91251 13.5807 5.88785 8.19484 8.88124 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 5.12272 8.7121 4.68125 3.7729 3.82583 8.25768 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 8.7121 5.12272 4.68125 3.7729 8.25768 3.82583 numMergedOcc 0
24 mol 147 unq 1 iso 0 dist 5.12272 8.7121 4.68125 6.34165 5.19116 8.71702 numMergedOcc 0
25 mol 147 unq 1 iso 1 dist 8.7121 5.12272 4.68125 6.34165 8.71702 5.19116 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 7.65903 5.97653 5.23644 3.18152 5.10589 4.63336 numMergedOcc 0
27 mol 169 unq 0 iso 1 dist 5.97653 7.65903 5.23644 3.18152 4.63336 5.10589 numMergedOcc 0
28 mol 169 unq 1 iso 0 dist 7.65903 7.75523 7.52063 3.18152 5.10589 6.10715 numMergedOcc 0
29 mol 169 unq 1 iso 1 dist 7.75523 7.65903 7.52063 3.18152 6.10715 5.10589 numMergedOcc 0
30 mol 169 unq 1 iso 0 dist 5.97653 7.75523 3.74306 3.18152 4.63336 6.10715 numMergedOcc 0
31 mol 169 unq 1 iso 1 dist 7.75523 5.97653 3.74306 3.18152 6.10715 4.63336 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 4.45769 5.89939 3.78714 9.23342 5.10542 4.68722 numMergedOcc 0
33 mol 194 unq 0 iso 1 dist 5.89939 4.45769 3.78714 9.23342 4.68722 5.10542 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 8.99961 8.18853 3.78714 11.7699 5.10542 4.68722 numMergedOcc 0
35 mol 194 unq 1 iso 1 dist 8.18853 8.99961 3.78714 11.7699 4.68722 5.10542 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 7.33774 6.39122 8.59834 4.7839 8.32259 8.54737 numMergedOcc 0
37 mol 204 unq 0 iso 1 dist 6.39122 7.33774 8.59834 4.7839 8.54737 8.32259 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 7.33774 6.39122 8.59834 4.05102 9.93489 7.64057 numMergedOcc 0
39 mol 204 unq 1 iso 1 dist 6.39122 7.33774 8.59834 4.05102 7.64057 9.93489 numMergedOcc 0
40 mol 204 unq 2 iso 0 dist 8.23717 7.98864 2.95898 5.80328 8.32259 9.93489 numMergedOcc 0
41 mol 204 unq 2 iso 1 dist 7.98864 8.23717 2.95898 5.80328 9.93489 8.32259 numMergedOcc 0
42 mol 204 unq 3 iso 0 dist 8.23717 7.98864 2.95898 3.68217 8.54737 7.64057 numMergedOcc 0
43 mol 204 unq 3 iso 1 dist 7.98864 8.23717 2.95898 3.68217 7.64057 8.54737 numMergedOcc 0
44 mol 214 unq 0 iso 0 dist 8.49349 6.50654 10.5332 4.84709 8.66082 7.96338 numMergedOcc 0
45 mol 214 unq 0 iso 1 dist 6.50654 8.49349 10.5332 4.84709 7.96338 8.66082 numMergedOcc 0
46 mol 214 unq 1 iso 0 dist 7.70062 7.66702 2.86233 3.64285 7.96338 7.42759 numMergedOcc 0
47 mol 214 unq 1 iso 1 dist 7.66702 7.70062 2.86233 3.64285 7.42759 7.96338 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 7.72861 8.20376 11.938 3.14784 7.8598 8.25286 numMergedOcc 0
49 mol 266 unq 0 iso 1 dist 8.20376 7.72861 11.938 3.14784 8.25286 7.8598 numMergedOcc 0
50 mol 266 unq 1 iso 0 dist 7.72861 8.20376 11.938 5.95721 7.80711 9.9965 numMergedOcc 0
51 mol 266 unq 1 iso 1 dist 8.20376 7.72861 11.938 5.95721 9.9965 7.80711 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 4.27826 5.82074 4.87372 3.14843 5.88958 7.78121 numMergedOcc 0
53 mol 285 unq 0 iso 1 dist 5.82074 4.27826 4.87372 3.14843 7.78121 5.88958 numMergedOcc 0
