0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.876 5.88545 8.20465 4.29582 7.07399 11.7302 9.41935 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.54938 7.20519 7.34551 7.97324 8.33878 6.63929 4.97119 6.41575 10.741 12.8082 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.97324 8.33878 11.8689 4.97119 6.41575 6.41423 12.8082 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 7.20519 7.07775 7.97324 11.8689 6.63929 4.97119 6.41423 10.741 12.8082 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.864 4.54938 5.80928 7.97324 11.8689 8.33878 4.97119 6.41423 6.41575 12.8082 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.33919 7.9151 15.9091 5.11416 9.24757 13.8696 10.462 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 9.33919 7.9151 5.44172 5.11416 9.24757 13.0145 10.462 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 7.16975 7.09323 7.92499 11.4997 9.81166 14.6043 14.5525 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 7.16975 7.09323 6.68962 11.4997 9.81166 18.7078 14.5525 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.30021 10.4545 12.3178 9.29301 9.82915 12.0078 13.05 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 5.62635 10.4545 12.3178 13.5116 9.82915 12.0078 13.05 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 7.07868 9.87083 11.3372 13.5116 9.82915 12.0078 18.4974 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 7.47541 5.73196 6.87425 5.62635 10.4545 7.43006 13.5116 9.82915 14.4382 13.05 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 7.07868 9.87083 4.60756 13.5116 9.82915 14.4382 18.4974 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 6.19965 7.97049 5.42586 9.30021 12.3178 10.4545 8.09967 7.54568 10.0796 9.70745 numMergedOcc 0
15 mol 85 unq 6 iso 0 dist 7.66905 7.47541 5.42586 5.62635 12.3178 10.4545 4.65335 7.54568 10.0796 9.70745 numMergedOcc 0
16 mol 85 unq 7 iso 0 dist 7.66905 7.47541 5.42586 7.07868 11.3372 9.87083 4.65335 7.54568 10.0796 8.60839 numMergedOcc 0
17 mol 85 unq 8 iso 0 dist 7.66905 5.73196 10.1164 5.62635 12.3178 7.43006 4.65335 7.54568 9.39864 9.70745 numMergedOcc 0
18 mol 85 unq 9 iso 0 dist 7.66905 5.73196 10.1164 7.07868 11.3372 4.60756 4.65335 7.54568 9.39864 8.60839 numMergedOcc 0
19 mol 85 unq 10 iso 0 dist 5.73196 7.47541 6.87425 5.62635 7.43006 10.4545 4.65335 9.39864 10.0796 9.70745 numMergedOcc 0
20 mol 85 unq 11 iso 0 dist 5.73196 7.47541 6.87425 7.07868 4.60756 9.87083 4.65335 9.39864 10.0796 8.60839 numMergedOcc 0
21 mol 85 unq 12 iso 0 dist 5.73196 7.66905 10.1164 5.62635 7.43006 12.3178 4.65335 9.39864 7.54568 9.70745 numMergedOcc 0
22 mol 85 unq 13 iso 0 dist 5.73196 7.66905 10.1164 7.07868 4.60756 11.3372 4.65335 9.39864 7.54568 8.60839 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 9.35224 6.56369 5.88134 7.5951 6.35939 4.46114 10.0456 7.01812 8.30845 11.5672 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 6.56369 9.35224 5.88134 7.5951 4.46114 6.35939 10.0456 8.30845 7.01812 11.5672 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 6.56369 9.35224 5.88134 7.5951 4.46114 6.35939 4.97045 8.76378 10.0635 6.87566 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 4.51266 5.47259 4.70102 4.54648 6.16242 5.87634 6.49688 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 4.51266 5.47259 6.56917 4.54648 6.16242 10.9061 6.49688 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 6.80239 6.29155 7.81217 4.51266 4.70102 5.47259 4.54648 5.87634 6.16242 6.49688 numMergedOcc 0
29 mol 133 unq 3 iso 0 dist 6.80239 8.00618 7.79672 4.51266 4.70102 6.56917 4.54648 5.87634 10.9061 6.49688 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 8.47008 7.45927 5.83639 7.20191 9.39829 6.41453 10.9996 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 7.63312 7.81386 8.85576 8.47008 5.83639 7.45927 5.63555 5.9176 10.4943 6.2176 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 7.63312 7.81386 8.85576 8.47008 5.83639 7.45927 7.20191 6.41453 9.39829 10.9996 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 6.52987 7.36565 4.92241 10.3603 5.44002 12.3113 10.5519 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.52987 7.36565 10.9417 10.3603 5.44002 17.9798 10.5519 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 8.14531 4.88549 10.8069 5.63675 7.21311 11.2102 7.05518 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.64122 10.1317 8.53114 8.81835 7.98231 11.6972 10.9888 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.64122 10.1317 4.63899 8.81835 7.98231 7.08526 10.9888 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.64122 10.1317 8.41812 8.81835 7.98231 15.8414 10.9888 numMergedOcc 0
39 mol 259 unq 3 iso 0 dist 7.46176 7.88519 6.96053 7.64122 4.63899 10.1317 8.81835 7.08526 7.98231 10.9888 numMergedOcc 0
40 mol 259 unq 4 iso 0 dist 7.46176 7.84554 7.64658 7.64122 4.63899 8.53114 8.81835 7.08526 11.6972 10.9888 numMergedOcc 0
41 mol 259 unq 5 iso 0 dist 7.46176 9.18903 10.5239 7.64122 4.63899 8.41812 8.81835 7.08526 15.8414 10.9888 numMergedOcc 0
42 mol 273 unq 0 iso 0 dist 9.01049 6.92774 7.03728 6.70271 5.29565 5.93427 9.25493 8.49177 12.8175 8.25037 numMergedOcc 0
43 mol 273 unq 1 iso 0 dist 9.01049 9.2983 8.05475 6.70271 5.29565 11.0848 9.25493 8.49177 12.7219 8.25037 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 6.92434 5.87456 8.58007 5.29529 8.52587 11.6126 5.0002 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 6.93875 8.83823 5.66046 5.29529 8.52587 11.6126 11.9154 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 7.56915 8.49997 6.33073 6.0868 9.51441 10.1323 5.29529 8.52587 11.6126 10.6062 numMergedOcc 0
47 mol 274 unq 3 iso 0 dist 7.56915 8.49997 6.33073 6.32856 11.5556 13.5073 5.29529 8.52587 11.6126 9.1028 numMergedOcc 0
