0 mol 26 unq 0 iso 0 dist 8.42581 6.15893 8.95026 5.497 5.45023 4.36675 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.42581 5.497 5.45023 6.15893 8.95026 4.36675 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.52067 6.73801 6.32189 6.42834 4.85777 10.1421 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 5.52067 6.42834 4.85777 6.73801 6.32189 10.1421 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.95778 7.21995 6.19841 9.62637 10.493 5.69343 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 7.95778 9.62637 10.493 7.21995 6.19841 5.69343 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.28578 7.1539 7.75408 5.39745 12.1199 6.34272 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 9.28578 5.39745 12.1199 7.1539 7.75408 6.34272 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 9.89462 7.75012 10.9902 6.98158 4.68499 10.8727 numMergedOcc 0
9 mol 128 unq 0 iso 1 dist 9.89462 6.98158 4.68499 7.75012 10.9902 10.8727 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.62145 9.62236 5.82483 6.90634 6.85776 12.1655 numMergedOcc 0
11 mol 130 unq 0 iso 1 dist 7.62145 6.90634 6.85776 9.62236 5.82483 12.1655 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.07135 7.41399 5.71483 8.21165 9.78763 4.40317 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 8.07135 8.21165 9.78763 7.41399 5.71483 4.40317 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.07135 7.41399 5.71483 8.97945 6.9287 8.99658 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 8.07135 8.97945 6.9287 7.41399 5.71483 8.99658 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 8.07135 7.41399 5.71483 9.50664 11.7983 14.7682 numMergedOcc 0
17 mol 133 unq 2 iso 1 dist 8.07135 9.50664 11.7983 7.41399 5.71483 14.7682 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 8.07135 7.41399 5.71483 6.71555 5.83691 9.63809 numMergedOcc 0
19 mol 133 unq 3 iso 1 dist 8.07135 6.71555 5.83691 7.41399 5.71483 9.63809 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 8.07135 8.21165 9.78763 8.97945 6.9287 10.8204 numMergedOcc 0
21 mol 133 unq 1 iso 1 dist 8.07135 8.97945 6.9287 8.21165 9.78763 10.8204 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 8.07135 8.21165 9.78763 9.50664 11.7983 16.3424 numMergedOcc 0
23 mol 133 unq 2 iso 1 dist 8.07135 9.50664 11.7983 8.21165 9.78763 16.3424 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 8.07135 8.21165 9.78763 6.71555 5.83691 12.3323 numMergedOcc 0
25 mol 133 unq 3 iso 1 dist 8.07135 6.71555 5.83691 8.21165 9.78763 12.3323 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 8.07135 8.97945 6.9287 9.50664 11.7983 8.99753 numMergedOcc 0
27 mol 133 unq 2 iso 1 dist 8.07135 9.50664 11.7983 8.97945 6.9287 8.99753 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 8.07135 8.97945 6.9287 6.71555 5.83691 5.75201 numMergedOcc 0
29 mol 133 unq 3 iso 1 dist 8.07135 6.71555 5.83691 8.97945 6.9287 5.75201 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 8.07135 9.50664 11.7983 6.71555 5.83691 5.98781 numMergedOcc 0
31 mol 133 unq 3 iso 1 dist 8.07135 6.71555 5.83691 9.50664 11.7983 5.98781 numMergedOcc 0
32 mol 133 unq 4 iso 0 dist 9.4062 6.51868 4.35684 7.34698 11.668 7.33253 numMergedOcc 0
33 mol 133 unq 4 iso 1 dist 9.4062 7.34698 11.668 6.51868 4.35684 7.33253 numMergedOcc 0
34 mol 146 unq 0 iso 0 dist 8.68349 6.50043 7.20408 9.44952 6.00811 5.54669 numMergedOcc 0
35 mol 146 unq 0 iso 1 dist 8.68349 9.44952 6.00811 6.50043 7.20408 5.54669 numMergedOcc 0
36 mol 148 unq 0 iso 0 dist 8.12589 8.73468 7.23332 9.73927 7.89336 4.32771 numMergedOcc 0
37 mol 148 unq 0 iso 1 dist 8.12589 9.73927 7.89336 8.73468 7.23332 4.32771 numMergedOcc 0
38 mol 150 unq 0 iso 0 dist 8.11592 8.73558 7.35366 9.66129 7.86976 4.39943 numMergedOcc 0
39 mol 150 unq 0 iso 1 dist 8.11592 9.66129 7.86976 8.73558 7.35366 4.39943 numMergedOcc 0
40 mol 173 unq 0 iso 0 dist 7.54706 8.41245 9.77146 6.64779 9.43677 7.69792 numMergedOcc 0
41 mol 173 unq 0 iso 1 dist 7.54706 6.64779 9.43677 8.41245 9.77146 7.69792 numMergedOcc 0
42 mol 237 unq 0 iso 0 dist 7.33613 9.27395 5.90415 7.55103 9.2471 6.08027 numMergedOcc 0
43 mol 237 unq 0 iso 1 dist 7.33613 7.55103 9.2471 9.27395 5.90415 6.08027 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.42618 8.81629 6.84212 6.87131 4.77308 4.34277 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 9.42618 6.87131 4.77308 8.81629 6.84212 4.34277 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 9.42618 8.81629 6.84212 9.69818 10.2777 8.96242 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 9.42618 9.69818 10.2777 8.81629 6.84212 8.96242 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 9.42618 6.87131 4.77308 9.69818 10.2777 6.25098 numMergedOcc 0
49 mol 238 unq 1 iso 1 dist 9.42618 9.69818 10.2777 6.87131 4.77308 6.25098 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 8.8827 7.02079 12.6361 5.88802 4.04521 11.3911 numMergedOcc 0
51 mol 239 unq 0 iso 1 dist 8.8827 5.88802 4.04521 7.02079 12.6361 11.3911 numMergedOcc 0
