0 mol 25 unq 0 iso 0 dist 8.94828 4.54526 4.79873 16.0229 9.48085 12.7147 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.94828 16.0229 9.48085 4.54526 4.79873 12.7147 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 6.65242 6.24711 3.39994 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 8.36524 6.65242 6.24711 10.0272 7.18022 3.39994 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.48831 10.6185 9.55118 4.89334 9.10345 9.20237 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 5.48831 4.89334 9.10345 10.6185 9.55118 9.20237 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 8.56124 4.56271 6.53308 4.20641 7.47974 7.04263 numMergedOcc 0
7 mol 89 unq 0 iso 1 dist 8.56124 4.20641 7.47974 4.56271 6.53308 7.04263 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.86713 12.4753 8.27883 6.52247 5.75428 6.27231 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 6.86713 6.52247 5.75428 12.4753 8.27883 6.27231 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 6.86713 12.4753 8.27883 5.89506 8.57395 11.734 numMergedOcc 0
11 mol 95 unq 1 iso 1 dist 6.86713 5.89506 8.57395 12.4753 8.27883 11.734 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 6.86713 12.4753 8.27883 6.40728 9.85409 17.4304 numMergedOcc 0
13 mol 95 unq 2 iso 1 dist 6.86713 6.40728 9.85409 12.4753 8.27883 17.4304 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 6.86713 6.52247 5.75428 5.89506 8.57395 6.95874 numMergedOcc 0
15 mol 95 unq 1 iso 1 dist 6.86713 5.89506 8.57395 6.52247 5.75428 6.95874 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 6.86713 6.52247 5.75428 6.40728 9.85409 12.3063 numMergedOcc 0
17 mol 95 unq 2 iso 1 dist 6.86713 6.40728 9.85409 6.52247 5.75428 12.3063 numMergedOcc 0
18 mol 95 unq 2 iso 0 dist 6.86713 5.89506 8.57395 6.40728 9.85409 9.43547 numMergedOcc 0
19 mol 95 unq 2 iso 1 dist 6.86713 6.40728 9.85409 5.89506 8.57395 9.43547 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 9.61812 17.6236 9.90751 17.5707 9.21662 6.25463 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 9.61812 17.5707 9.21662 17.6236 9.90751 6.25463 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 7.85583 10.864 8.47988 9.95307 8.0427 6.38762 numMergedOcc 0
23 mol 112 unq 0 iso 1 dist 7.85583 9.95307 8.0427 10.864 8.47988 6.38762 numMergedOcc 0
24 mol 112 unq 1 iso 0 dist 8.86938 9.50897 8.47988 11.9673 8.0427 6.38762 numMergedOcc 0
25 mol 112 unq 1 iso 1 dist 8.86938 11.9673 8.0427 9.50897 8.47988 6.38762 numMergedOcc 0
26 mol 112 unq 2 iso 0 dist 7.42474 4.9759 9.05166 6.59976 5.56994 5.11 numMergedOcc 0
27 mol 112 unq 2 iso 1 dist 7.42474 6.59976 5.56994 4.9759 9.05166 5.11 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.84656 14.2595 9.33924 15.9796 7.93372 11.4107 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 8.84656 15.9796 7.93372 14.2595 9.33924 11.4107 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.31276 6.67639 9.10524 4.72407 6.42772 7.62195 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 8.31276 4.72407 6.42772 6.67639 9.10524 7.62195 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 5.79157 4.72407 9.1998 7.97297 8.69531 5.83782 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 5.79157 7.97297 8.69531 4.72407 9.1998 5.83782 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 5.50687 4.4987 5.35237 4.72407 8.70621 6.05407 numMergedOcc 0
35 mol 134 unq 3 iso 1 dist 5.50687 4.72407 8.70621 4.4987 5.35237 6.05407 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 8.94541 8.17498 9.00918 10.9758 7.99477 4.87973 numMergedOcc 0
37 mol 134 unq 4 iso 1 dist 8.94541 10.9758 7.99477 8.17498 9.00918 4.87973 numMergedOcc 0
38 mol 134 unq 5 iso 0 dist 7.30919 6.67639 9.00918 4.4987 7.99477 4.87973 numMergedOcc 0
39 mol 134 unq 5 iso 1 dist 7.30919 4.4987 7.99477 6.67639 9.00918 4.87973 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 8.86346 13.5413 7.81207 10.4327 7.18002 13.4681 numMergedOcc 0
41 mol 142 unq 0 iso 1 dist 8.86346 10.4327 7.18002 13.5413 7.81207 13.4681 numMergedOcc 0
42 mol 142 unq 1 iso 0 dist 4.93681 9.85239 7.81207 8.64092 7.18002 13.4681 numMergedOcc 0
43 mol 142 unq 1 iso 1 dist 4.93681 8.64092 7.18002 9.85239 7.81207 13.4681 numMergedOcc 0
44 mol 162 unq 0 iso 0 dist 5.21803 4.6728 7.37333 7.06734 7.45998 3.77838 numMergedOcc 0
45 mol 162 unq 0 iso 1 dist 5.21803 7.06734 7.45998 4.6728 7.37333 3.77838 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.52413 6.21482 7.2793 6.47581 9.51091 3.47886 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 9.52413 6.47581 9.51091 6.21482 7.2793 3.47886 numMergedOcc 0
48 mol 186 unq 1 iso 0 dist 9.52413 6.21482 7.2793 16.7739 7.85184 12.5618 numMergedOcc 0
49 mol 186 unq 1 iso 1 dist 9.52413 16.7739 7.85184 6.21482 7.2793 12.5618 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 9.52413 6.47581 9.51091 16.7739 7.85184 14.2448 numMergedOcc 0
51 mol 186 unq 1 iso 1 dist 9.52413 16.7739 7.85184 6.47581 9.51091 14.2448 numMergedOcc 0
52 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 7.69814 9.73548 16.8666 numMergedOcc 0
53 mol 197 unq 0 iso 1 dist 6.18446 7.69814 9.73548 9.66766 9.10817 16.8666 numMergedOcc 0
54 mol 225 unq 0 iso 0 dist 9.93754 5.30128 6.50998 7.291 9.09424 8.05944 numMergedOcc 0
55 mol 225 unq 0 iso 1 dist 9.93754 7.291 9.09424 5.30128 6.50998 8.05944 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 9.93754 5.30128 6.50998 15.2642 8.14831 13.7858 numMergedOcc 0
57 mol 225 unq 1 iso 1 dist 9.93754 15.2642 8.14831 5.30128 6.50998 13.7858 numMergedOcc 0
58 mol 225 unq 1 iso 0 dist 9.93754 7.291 9.09424 15.2642 8.14831 11.2712 numMergedOcc 0
59 mol 225 unq 1 iso 1 dist 9.93754 15.2642 8.14831 7.291 9.09424 11.2712 numMergedOcc 0
60 mol 243 unq 0 iso 0 dist 7.80612 11.091 7.10671 8.97902 8.67156 6.67199 numMergedOcc 0
61 mol 243 unq 0 iso 1 dist 7.80612 8.97902 8.67156 11.091 7.10671 6.67199 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 8.53324 10.3171 5.46926 10.6814 5.13913 3.39114 numMergedOcc 0
63 mol 277 unq 0 iso 1 dist 8.53324 10.6814 5.13913 10.3171 5.46926 3.39114 numMergedOcc 0
64 mol 277 unq 1 iso 0 dist 7.23956 8.60807 9.35539 10.3171 8.9682 16.9644 numMergedOcc 0
65 mol 277 unq 1 iso 1 dist 7.23956 10.3171 8.9682 8.60807 9.35539 16.9644 numMergedOcc 0
66 mol 277 unq 2 iso 0 dist 7.23956 8.60807 9.35539 10.6814 6.92711 15.8851 numMergedOcc 0
67 mol 277 unq 2 iso 1 dist 7.23956 10.6814 6.92711 8.60807 9.35539 15.8851 numMergedOcc 0
68 mol 277 unq 2 iso 0 dist 7.23956 10.3171 8.9682 10.6814 6.92711 3.39114 numMergedOcc 0
69 mol 277 unq 2 iso 1 dist 7.23956 10.6814 6.92711 10.3171 8.9682 3.39114 numMergedOcc 0
70 mol 277 unq 3 iso 0 dist 8.66941 5.04761 5.46926 8.42957 5.13913 3.39114 numMergedOcc 0
71 mol 277 unq 3 iso 1 dist 8.66941 8.42957 5.13913 5.04761 5.46926 3.39114 numMergedOcc 0
