0 mol 25 unq 0 iso 0 dist 8.46842 16.8735 9.48085 5.03904 4.79873 12.7147 17.4161 10.9391 9.49421 12.3944 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 7.09258 7.54321 6.21799 5.2819 5.03251 3.43675 13.6285 7.04035 9.74228 10.7906 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 7.09258 7.54321 6.21799 5.2819 5.03251 3.43675 13.592 8.24309 7.12321 9.35457 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 7.09258 7.54321 6.21799 3.53164 7.66093 5.75711 13.6285 7.04035 9.74228 12.952 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 7.09258 7.54321 6.21799 3.53164 7.66093 5.75711 13.592 8.24309 7.12321 12.1131 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 7.09258 5.2819 5.03251 7.54321 6.21799 3.43675 12.0429 5.8486 9.56773 10.9808 numMergedOcc 0
6 mol 72 unq 5 iso 0 dist 7.09258 5.2819 5.03251 3.53164 7.66093 5.26077 12.0429 5.8486 9.56773 13.336 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.28058 10.8484 5.61588 15.8189 8.72682 9.76138 13.3369 8.07446 5.5087 10.2939 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.28058 10.8484 5.61588 9.77994 6.45841 3.32668 13.3369 8.07446 5.5087 8.62198 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.28058 10.8484 5.61588 14.7963 7.83244 5.30471 13.3369 8.07446 5.5087 6.08682 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.28058 14.7963 7.83244 15.8189 8.72682 5.81659 13.3369 8.07446 6.08682 10.2939 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 7.28058 14.7963 7.83244 9.77994 6.45841 8.07648 13.3369 8.07446 6.08682 8.62198 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 7.28058 14.7963 7.83244 10.8484 5.61588 5.30471 13.3369 8.07446 6.08682 5.5087 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 8.40871 10.8182 6.85523 3.48199 5.77326 8.2592 15.4151 7.19663 8.65848 12.35 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.48388 4.54306 7.78931 10.9661 8.7497 6.70343 10.5303 14.591 9.64383 14.0897 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 9.48388 4.54306 7.78931 10.9661 8.7497 6.70343 11.233 5.02887 7.54889 5.2571 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.48388 10.9661 8.7497 4.54306 7.78931 6.70343 12.9741 10.2427 5.10496 9.81956 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 9.48388 10.9661 8.7497 4.54306 7.78931 6.70343 15.2644 13.9786 5.92242 10.8223 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 9.48388 10.9661 8.7497 4.54306 7.78931 6.70343 11.233 5.02887 5.2571 7.54889 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 9.13413 11.7536 8.47988 5.8662 8.0427 6.38762 11.6374 4.8896 9.02706 9.39168 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 9.13413 5.8662 8.0427 11.7536 8.47988 6.38762 11.6374 4.8896 9.39168 9.02706 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 7.31419 6.4405 5.35237 3.64555 8.70621 6.05407 12.4741 6.90348 7.99477 11.8779 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 7.31419 3.64555 8.70621 6.4405 5.35237 6.05407 9.92467 13.7309 6.42772 10.6728 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 7.31419 3.64555 8.70621 6.4405 5.35237 6.05407 9.11672 7.09823 9.1998 9.71716 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 7.18765 4.26432 9.10817 14.0652 9.73548 16.8666 7.41091 5.43601 6.86828 15.043 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.89728 13.7396 5.85442 15.7491 6.95511 3.51848 14.0886 9.98105 6.9899 10.4017 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 9.89728 15.7491 6.95511 13.7396 5.85442 3.51848 11.1914 6.96053 9.46361 10.3406 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 6.86014 14.6762 8.9682 11.4058 9.35539 16.9644 18.2066 11.8268 9.57499 15.5554 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 6.86014 14.6762 8.9682 11.4058 9.35539 16.9644 12.4435 7.08227 5.46926 14.9313 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 6.86014 14.6762 8.9682 11.68 6.92711 3.39114 18.2066 11.8268 9.57499 11.4389 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 6.86014 14.6762 8.9682 11.68 6.92711 3.39114 12.4435 7.08227 5.46926 5.13913 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 6.86014 11.68 6.92711 11.4058 9.35539 15.8851 12.4435 7.08227 5.13913 14.9313 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 6.86014 11.68 6.92711 14.6762 8.9682 3.39114 12.4435 7.08227 5.13913 5.46926 numMergedOcc 0
33 mol 277 unq 6 iso 0 dist 5.97073 11.3103 8.9682 6.9003 9.35539 16.9644 12.8364 11.8268 9.57499 15.5554 numMergedOcc 0
34 mol 277 unq 7 iso 0 dist 5.97073 11.3103 8.9682 6.9003 9.35539 16.9644 11.2713 7.08227 5.46926 14.9313 numMergedOcc 0
35 mol 277 unq 8 iso 0 dist 5.97073 11.3103 8.9682 10.5734 6.92711 3.39114 12.8364 11.8268 9.57499 11.4389 numMergedOcc 0
36 mol 277 unq 9 iso 0 dist 5.97073 11.3103 8.9682 10.5734 6.92711 3.39114 11.2713 7.08227 5.46926 5.13913 numMergedOcc 0
37 mol 277 unq 10 iso 0 dist 5.97073 10.5734 6.92711 6.9003 9.35539 15.8851 11.2713 7.08227 5.13913 14.9313 numMergedOcc 0
38 mol 277 unq 11 iso 0 dist 5.97073 10.5734 6.92711 11.3103 8.9682 3.39114 11.2713 7.08227 5.13913 5.46926 numMergedOcc 0
39 mol 277 unq 12 iso 0 dist 8.23147 6.40883 5.46926 6.79352 5.13913 3.39114 10.0577 7.69449 9.57499 11.4389 numMergedOcc 0
40 mol 277 unq 13 iso 0 dist 8.23147 6.40883 5.46926 6.79352 5.13913 3.39114 6.49176 7.08227 8.9682 6.92711 numMergedOcc 0
41 mol 277 unq 14 iso 0 dist 8.23147 6.79352 5.13913 6.40883 5.46926 3.39114 6.49176 7.08227 6.92711 8.9682 numMergedOcc 0
42 mol 277 unq 15 iso 0 dist 6.49176 6.40883 8.9682 11.7592 9.35539 16.9644 10.0577 11.8268 9.57499 15.5554 numMergedOcc 0
43 mol 277 unq 16 iso 0 dist 6.49176 6.40883 8.9682 11.7592 9.35539 16.9644 8.23147 7.08227 5.46926 14.9313 numMergedOcc 0
44 mol 277 unq 17 iso 0 dist 6.49176 6.40883 8.9682 6.79352 6.92711 3.39114 10.0577 11.8268 9.57499 11.4389 numMergedOcc 0
45 mol 277 unq 18 iso 0 dist 6.49176 6.40883 8.9682 6.79352 6.92711 3.39114 8.23147 7.08227 5.46926 5.13913 numMergedOcc 0
46 mol 277 unq 19 iso 0 dist 6.49176 6.79352 6.92711 11.7592 9.35539 15.8851 8.23147 7.08227 5.13913 14.9313 numMergedOcc 0
47 mol 277 unq 20 iso 0 dist 6.49176 6.79352 6.92711 6.40883 8.9682 3.39114 8.23147 7.08227 5.13913 5.46926 numMergedOcc 0
48 mol 277 unq 21 iso 0 dist 8.20217 6.68571 5.46926 9.44642 5.13913 3.39114 5.22392 7.69449 9.57499 11.4389 numMergedOcc 0
49 mol 277 unq 22 iso 0 dist 8.20217 6.68571 5.46926 9.44642 5.13913 3.39114 11.4928 7.08227 8.9682 6.92711 numMergedOcc 0
50 mol 277 unq 23 iso 0 dist 8.20217 9.44642 5.13913 6.68571 5.46926 3.39114 11.4928 7.08227 6.92711 8.9682 numMergedOcc 0
51 mol 292 unq 0 iso 0 dist 7.29148 14.9639 9.9182 13.1177 8.9221 9.43063 15.3813 10.3106 7.30758 14.8054 numMergedOcc 0
52 mol 292 unq 1 iso 0 dist 7.29148 14.9639 9.9182 13.1177 8.9221 9.43063 18.975 12.1693 9.10788 8.85064 numMergedOcc 0
53 mol 292 unq 2 iso 0 dist 7.29148 13.1177 8.9221 14.9639 9.9182 9.43063 18.975 12.1693 8.85064 9.10788 numMergedOcc 0
54 mol 292 unq 3 iso 0 dist 6.02089 6.38012 9.90967 6.03672 9.9886 8.10966 6.87804 11.8061 8.38121 10.9396 numMergedOcc 0
55 mol 292 unq 4 iso 0 dist 6.87804 6.38012 8.38121 4.77692 7.20674 9.14614 6.02089 11.8061 9.90967 10.1532 numMergedOcc 0
56 mol 292 unq 5 iso 0 dist 8.54692 9.47804 7.30758 9.76733 9.46442 3.57128 15.4675 10.3106 9.9182 13.4489 numMergedOcc 0
57 mol 292 unq 6 iso 0 dist 8.54692 9.47804 7.30758 9.76733 9.46442 3.57128 18.1401 12.6861 9.10788 9.96037 numMergedOcc 0
58 mol 292 unq 7 iso 0 dist 8.54692 9.47804 7.30758 4.13273 9.5785 10.0941 15.4675 10.3106 9.9182 13.7082 numMergedOcc 0
59 mol 292 unq 8 iso 0 dist 8.54692 9.47804 7.30758 4.13273 9.5785 10.0941 18.1401 12.6861 9.10788 18.9744 numMergedOcc 0
60 mol 292 unq 9 iso 0 dist 8.54692 9.47804 7.30758 4.58207 9.76319 13.2166 15.4675 10.3106 9.9182 18.0254 numMergedOcc 0
61 mol 292 unq 10 iso 0 dist 8.54692 9.47804 7.30758 4.58207 9.76319 13.2166 18.1401 12.6861 9.10788 21.1604 numMergedOcc 0
62 mol 292 unq 11 iso 0 dist 6.07571 14.3549 8.38121 11.6413 7.20674 9.14614 16.459 11.8061 9.90967 10.1532 numMergedOcc 0
