0 mol 5 unq 0 iso 0 dist 7.56229 3.14155 5.69239 9.22027 3.33561 7.50453 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 7.50453 3.33561 5.69239 9.22027 3.14155 7.56229 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 8.87945 6.98653 7.64769 4.98321 5.31713 7.74636 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 7.74636 5.31713 7.64769 4.98321 6.98653 8.87945 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 8.87945 9.22937 9.70883 16.0656 13.2371 8.34817 numMergedOcc 0
5 mol 5 unq 2 iso 1 dist 8.34817 13.2371 9.70883 16.0656 9.22937 8.87945 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.7927 11.246 6.36817 16.6897 9.7018 7.70645 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 7.70645 9.7018 6.36817 16.6897 11.246 7.7927 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 6.17378 9.92075 6.36817 15.5703 9.7018 7.70645 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 7.70645 9.7018 6.36817 15.5703 9.92075 6.17378 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.16844 3.73834 4.46067 9.53846 5.98227 8.93807 numMergedOcc 0
11 mol 62 unq 0 iso 1 dist 8.93807 5.98227 4.46067 9.53846 3.73834 7.16844 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 8.19932 7.98805 7.7485 10.0169 7.18877 8.71074 numMergedOcc 0
13 mol 68 unq 0 iso 1 dist 8.71074 7.18877 7.7485 10.0169 7.98805 8.19932 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 5.45099 3.35924 7.66068 10.8507 9.50354 9.57759 numMergedOcc 0
15 mol 76 unq 0 iso 1 dist 9.57759 9.50354 7.66068 10.8507 3.35924 5.45099 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 9.57759 12.0331 9.5043 10.8507 3.35924 8.44765 numMergedOcc 0
17 mol 76 unq 1 iso 1 dist 8.44765 3.35924 9.5043 10.8507 12.0331 9.57759 numMergedOcc 0
18 mol 76 unq 2 iso 0 dist 9.57759 9.2434 8.34132 10.8507 3.35924 9.06643 numMergedOcc 0
19 mol 76 unq 2 iso 1 dist 9.06643 3.35924 8.34132 10.8507 9.2434 9.57759 numMergedOcc 0
20 mol 107 unq 0 iso 0 dist 7.91251 5.88785 8.88124 9.87439 9.65216 5.31375 numMergedOcc 0
21 mol 107 unq 0 iso 1 dist 5.31375 9.65216 8.88124 9.87439 5.88785 7.91251 numMergedOcc 0
22 mol 107 unq 1 iso 0 dist 7.91251 5.88785 8.88124 6.11492 10.4294 6.49371 numMergedOcc 0
23 mol 107 unq 1 iso 1 dist 6.49371 10.4294 8.88124 6.11492 5.88785 7.91251 numMergedOcc 0
24 mol 107 unq 1 iso 0 dist 5.31375 8.32169 8.19484 9.87439 5.88785 9.09262 numMergedOcc 0
25 mol 107 unq 1 iso 1 dist 9.09262 5.88785 8.19484 9.87439 8.32169 5.31375 numMergedOcc 0
26 mol 107 unq 2 iso 0 dist 6.49371 3.40943 8.19484 6.11492 5.88785 9.09262 numMergedOcc 0
27 mol 107 unq 2 iso 1 dist 9.09262 5.88785 8.19484 6.11492 3.40943 6.49371 numMergedOcc 0
28 mol 116 unq 0 iso 0 dist 7.54274 3.43966 6.55227 10.1658 6.51576 9.87354 numMergedOcc 0
29 mol 116 unq 0 iso 1 dist 9.87354 6.51576 6.55227 10.1658 3.43966 7.54274 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 4.11374 3.59996 6.96715 10.2894 13.5169 9.06172 numMergedOcc 0
31 mol 169 unq 0 iso 1 dist 9.06172 13.5169 6.96715 10.2894 3.59996 4.11374 numMergedOcc 0
32 mol 169 unq 1 iso 0 dist 4.11374 3.59996 6.96715 11.3115 14.673 8.93091 numMergedOcc 0
33 mol 169 unq 1 iso 1 dist 8.93091 14.673 6.96715 11.3115 3.59996 4.11374 numMergedOcc 0
34 mol 169 unq 2 iso 0 dist 7.65903 3.18152 5.10589 11.3821 9.60496 8.6961 numMergedOcc 0
35 mol 169 unq 2 iso 1 dist 8.6961 9.60496 5.10589 11.3821 3.18152 7.65903 numMergedOcc 0
36 mol 169 unq 3 iso 0 dist 5.97653 3.18152 4.63336 11.3821 10.5251 8.6961 numMergedOcc 0
37 mol 169 unq 3 iso 1 dist 8.6961 10.5251 4.63336 11.3821 3.18152 5.97653 numMergedOcc 0
38 mol 169 unq 4 iso 0 dist 7.75523 3.18152 6.10715 11.3821 8.67112 8.6961 numMergedOcc 0
39 mol 169 unq 4 iso 1 dist 8.6961 8.67112 6.10715 11.3821 3.18152 7.75523 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 8.17928 3.60793 7.25595 11.5162 14.4913 8.92135 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 8.92135 14.4913 7.25595 11.5162 3.60793 8.17928 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 7.33774 4.7839 8.32259 5.00369 5.80328 8.23717 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 8.23717 5.80328 8.32259 5.00369 4.7839 7.33774 numMergedOcc 0
44 mol 204 unq 1 iso 0 dist 7.33774 4.05102 9.93489 5.00369 5.80328 7.98864 numMergedOcc 0
45 mol 204 unq 1 iso 1 dist 7.98864 5.80328 9.93489 5.00369 4.05102 7.33774 numMergedOcc 0
46 mol 204 unq 2 iso 0 dist 6.39122 4.7839 8.54737 5.00369 3.68217 8.23717 numMergedOcc 0
47 mol 204 unq 2 iso 1 dist 8.23717 3.68217 8.54737 5.00369 4.7839 6.39122 numMergedOcc 0
48 mol 204 unq 3 iso 0 dist 6.39122 4.05102 7.64057 5.00369 3.68217 7.98864 numMergedOcc 0
49 mol 204 unq 3 iso 1 dist 7.98864 3.68217 7.64057 5.00369 4.05102 6.39122 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 8.49349 4.84709 8.66082 8.25329 3.14057 9.59928 numMergedOcc 0
51 mol 214 unq 0 iso 1 dist 9.59928 3.14057 8.66082 8.25329 4.84709 8.49349 numMergedOcc 0
52 mol 214 unq 1 iso 0 dist 8.49349 4.84709 8.66082 4.85332 7.87816 7.70062 numMergedOcc 0
53 mol 214 unq 1 iso 1 dist 7.70062 7.87816 8.66082 4.85332 4.84709 8.49349 numMergedOcc 0
54 mol 214 unq 2 iso 0 dist 6.50654 4.84709 7.96338 8.25329 8.88633 9.59928 numMergedOcc 0
55 mol 214 unq 2 iso 1 dist 9.59928 8.88633 7.96338 8.25329 4.84709 6.50654 numMergedOcc 0
56 mol 214 unq 3 iso 0 dist 6.50654 4.84709 7.96338 4.85332 3.64285 7.70062 numMergedOcc 0
57 mol 214 unq 3 iso 1 dist 7.70062 3.64285 7.96338 4.85332 4.84709 6.50654 numMergedOcc 0
58 mol 214 unq 4 iso 0 dist 6.50654 4.16963 7.42759 4.85332 3.64285 7.66702 numMergedOcc 0
59 mol 214 unq 4 iso 1 dist 7.66702 3.64285 7.42759 4.85332 4.16963 6.50654 numMergedOcc 0
60 mol 285 unq 0 iso 0 dist 7.73438 10.5542 5.88958 10.4537 3.14843 4.27826 numMergedOcc 0
61 mol 285 unq 0 iso 1 dist 4.27826 3.14843 5.88958 10.4537 10.5542 7.73438 numMergedOcc 0
62 mol 285 unq 1 iso 0 dist 7.73438 12.5361 7.78121 10.4537 3.14843 5.82074 numMergedOcc 0
63 mol 285 unq 1 iso 1 dist 5.82074 3.14843 7.78121 10.4537 12.5361 7.73438 numMergedOcc 0
64 mol 287 unq 0 iso 0 dist 8.32982 5.55422 6.24487 10.9383 5.96434 6.22311 numMergedOcc 0
65 mol 287 unq 0 iso 1 dist 6.22311 5.96434 6.24487 10.9383 5.55422 8.32982 numMergedOcc 0
66 mol 288 unq 0 iso 0 dist 8.32982 5.55422 6.24487 10.9383 5.96434 6.22311 numMergedOcc 0
67 mol 288 unq 0 iso 1 dist 6.22311 5.96434 6.24487 10.9383 5.55422 8.32982 numMergedOcc 0
68 mol 289 unq 0 iso 0 dist 8.32982 5.55422 6.24487 10.9383 5.96434 6.22311 numMergedOcc 0
69 mol 289 unq 0 iso 1 dist 6.22311 5.96434 6.24487 10.9383 5.55422 8.32982 numMergedOcc 0
