0 mol 25 unq 0 iso 0 dist 8.94828 16.0229 9.48085 4.54526 4.79873 12.7147 13.2682 10.9391 9.49421 12.3944 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 8.56124 4.20641 7.47974 4.56271 6.53308 7.04263 11.5742 9.1532 8.40422 13.0722 numMergedOcc 0
2 mol 89 unq 1 iso 0 dist 8.56124 4.20641 7.47974 4.56271 6.53308 7.04263 11.1702 4.8812 8.40425 10.7697 numMergedOcc 0
3 mol 89 unq 2 iso 0 dist 8.56124 4.20641 7.47974 4.56271 6.53308 7.04263 9.61 10.4087 5.51831 12.3442 numMergedOcc 0
4 mol 89 unq 3 iso 0 dist 8.56124 4.20641 7.47974 4.56271 6.53308 7.04263 13.7828 10.8948 9.65149 15.1929 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 6.86713 12.4753 8.27883 6.52247 5.75428 6.27231 13.3871 6.59884 7.7152 10.0848 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 6.86713 12.4753 8.27883 5.89506 8.57395 11.734 13.3871 6.59884 7.7152 14.2618 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 6.86713 12.4753 8.27883 6.40728 9.85409 17.4304 13.3871 6.59884 7.7152 15.9129 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.61812 17.5707 9.21662 17.6236 9.90751 6.25463 19.6188 10.8375 8.91882 13.2137 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.85583 10.864 8.47988 9.95307 8.0427 6.38762 12.6172 4.8896 9.02706 9.39168 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.85583 9.95307 8.0427 10.864 8.47988 6.38762 12.6172 4.8896 9.39168 9.02706 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 8.86938 9.50897 8.47988 11.9673 8.0427 6.38762 12.679 4.8896 9.02706 9.39168 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 8.86938 11.9673 8.0427 9.50897 8.47988 6.38762 12.679 4.8896 9.39168 9.02706 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.84656 15.9796 7.93372 14.2595 9.33924 11.4107 14.0056 10.7144 9.66543 18.0094 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.84656 15.9796 7.93372 14.2595 9.33924 11.4107 10.9216 5.49782 7.21868 13.9752 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.31276 6.67639 9.10524 4.72407 6.42772 7.62195 7.30919 14.069 9.00918 11.8779 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 8.31276 4.72407 6.42772 6.67639 9.10524 7.62195 5.79157 11.6064 9.1998 12.1179 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 8.31276 4.72407 6.42772 6.67639 9.10524 7.62195 5.50687 13.7309 8.70621 9.69086 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 5.79157 4.72407 9.1998 7.97297 8.69531 5.83782 8.31276 11.6064 6.42772 9.70973 numMergedOcc 0
19 mol 134 unq 6 iso 0 dist 5.79157 4.72407 9.1998 7.97297 8.69531 5.83782 5.50687 7.09823 8.70621 10.3432 numMergedOcc 0
20 mol 134 unq 7 iso 0 dist 5.79157 7.97297 8.69531 4.72407 9.1998 5.83782 9.87619 6.81259 9.33094 11.0808 numMergedOcc 0
21 mol 134 unq 8 iso 0 dist 5.50687 4.4987 5.35237 4.72407 8.70621 6.05407 7.30919 6.90348 7.99477 11.8779 numMergedOcc 0
22 mol 134 unq 9 iso 0 dist 5.50687 4.72407 8.70621 4.4987 5.35237 6.05407 8.31276 13.7309 6.42772 10.6728 numMergedOcc 0
23 mol 134 unq 10 iso 0 dist 5.50687 4.72407 8.70621 4.4987 5.35237 6.05407 5.79157 7.09823 9.1998 9.71716 numMergedOcc 0
24 mol 134 unq 11 iso 0 dist 8.94541 8.17498 9.00918 10.9758 7.99477 4.87973 15.8408 14.069 9.10524 10.6728 numMergedOcc 0
25 mol 134 unq 12 iso 0 dist 8.94541 10.9758 7.99477 8.17498 9.00918 4.87973 13.6391 6.90348 5.35237 9.69086 numMergedOcc 0
26 mol 134 unq 13 iso 0 dist 7.30919 6.67639 9.00918 4.4987 7.99477 4.87973 8.31276 14.069 9.10524 10.6728 numMergedOcc 0
27 mol 134 unq 14 iso 0 dist 7.30919 4.4987 7.99477 6.67639 9.00918 4.87973 5.50687 6.90348 5.35237 9.69086 numMergedOcc 0
28 mol 142 unq 0 iso 0 dist 8.86346 13.5413 7.81207 10.4327 7.18002 13.4681 13.95 5.32922 6.14151 10.7696 numMergedOcc 0
29 mol 142 unq 1 iso 0 dist 4.93681 9.85239 7.81207 8.64092 7.18002 13.4681 9.86383 5.32922 6.14151 10.7696 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 7.69814 9.73548 16.8666 9.96544 5.43601 6.86828 15.043 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 9.93754 5.30128 6.50998 7.291 9.09424 8.05944 11.4745 13.3965 8.1945 14.7849 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 9.93754 5.30128 6.50998 15.2642 8.14831 13.7858 11.4745 13.3965 8.1945 21.1757 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 8.53324 10.3171 5.46926 10.6814 5.13913 3.39114 7.151 7.69449 9.57499 11.4389 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 8.53324 10.3171 5.46926 10.6814 5.13913 3.39114 7.23956 7.08227 8.9682 6.92711 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 8.53324 10.6814 5.13913 10.3171 5.46926 3.39114 7.23956 7.08227 6.92711 8.9682 numMergedOcc 0
36 mol 277 unq 3 iso 0 dist 7.23956 10.3171 8.9682 8.60807 9.35539 16.9644 7.151 11.8268 9.57499 15.5554 numMergedOcc 0
37 mol 277 unq 4 iso 0 dist 7.23956 10.3171 8.9682 8.60807 9.35539 16.9644 8.53324 7.08227 5.46926 14.9313 numMergedOcc 0
38 mol 277 unq 5 iso 0 dist 7.23956 10.3171 8.9682 10.6814 6.92711 3.39114 7.151 11.8268 9.57499 11.4389 numMergedOcc 0
39 mol 277 unq 6 iso 0 dist 7.23956 10.3171 8.9682 10.6814 6.92711 3.39114 8.53324 7.08227 5.46926 5.13913 numMergedOcc 0
40 mol 277 unq 7 iso 0 dist 7.23956 10.6814 6.92711 8.60807 9.35539 15.8851 8.53324 7.08227 5.13913 14.9313 numMergedOcc 0
41 mol 277 unq 8 iso 0 dist 7.23956 10.6814 6.92711 10.3171 8.9682 3.39114 8.53324 7.08227 5.13913 5.46926 numMergedOcc 0
42 mol 277 unq 9 iso 0 dist 8.66941 5.04761 5.46926 8.42957 5.13913 3.39114 8.33977 7.69449 9.57499 11.4389 numMergedOcc 0
43 mol 277 unq 10 iso 0 dist 8.66941 5.04761 5.46926 8.42957 5.13913 3.39114 12.8481 7.08227 8.9682 6.92711 numMergedOcc 0
44 mol 277 unq 11 iso 0 dist 8.66941 8.42957 5.13913 5.04761 5.46926 3.39114 12.8481 7.08227 6.92711 8.9682 numMergedOcc 0
