0 mol 11 unq 0 iso 0 dist 9.53002 10.7048 4.79838 14.7815 8.05213 6.84216 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.00439 4.23427 6.38574 9.56313 4.69858 7.7312 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.20943 4.44441 6.38574 4.51865 4.69858 7.7312 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 7.82528 10.0411 6.38574 6.864 4.69858 7.7312 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.06308 9.89212 9.44125 11.2563 5.67689 8.27463 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 6.34173 5.84319 9.44125 7.58835 5.67689 8.27463 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 9.43442 6.16709 9.44125 11.5838 5.67689 8.27463 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.33535 4.63196 8.88313 10.1508 4.55117 8.34191 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.33535 4.57635 5.48837 12.0187 5.98837 7.4785 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 9.33535 4.57635 5.48837 10.1508 4.55117 6.39747 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 8.26899 8.44881 8.88313 7.32874 4.55117 8.34191 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 8.26899 4.25144 5.48837 6.81627 5.98837 7.4785 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 8.26899 4.25144 5.48837 7.32874 4.55117 6.39747 numMergedOcc 0
13 mol 58 unq 6 iso 0 dist 9.58673 4.59417 8.98478 6.86465 5.92889 9.23438 numMergedOcc 0
14 mol 58 unq 7 iso 0 dist 9.58673 4.59417 8.98478 6.35756 7.05413 7.17488 numMergedOcc 0
15 mol 58 unq 8 iso 0 dist 9.58673 4.59417 8.98478 10.3224 6.61756 6.79356 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 6.23899 11.6713 7.92479 19.1676 14.9359 8.30217 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 8.70133 4.73407 7.78587 9.38498 13.4082 6.23522 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 8.70133 4.73407 7.78587 13.1662 9.77992 9.10566 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 8.70133 4.73407 7.78587 10.2282 17.0996 9.62027 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 5.64598 3.85805 7.78587 8.9232 13.4082 6.23522 numMergedOcc 0
21 mol 73 unq 4 iso 0 dist 5.64598 3.85805 7.78587 5.93252 9.77992 9.10566 numMergedOcc 0
22 mol 73 unq 5 iso 0 dist 5.64598 3.85805 7.78587 13.2207 17.0996 9.62027 numMergedOcc 0
23 mol 73 unq 6 iso 0 dist 4.65521 5.17781 7.78587 10.2049 13.4082 6.23522 numMergedOcc 0
24 mol 73 unq 7 iso 0 dist 4.65521 5.17781 7.78587 11.379 9.77992 9.10566 numMergedOcc 0
25 mol 73 unq 8 iso 0 dist 4.65521 5.17781 7.78587 13.1757 17.0996 9.62027 numMergedOcc 0
26 mol 75 unq 0 iso 0 dist 6.33365 7.30118 7.30467 11.673 10.0425 9.16597 numMergedOcc 0
27 mol 75 unq 1 iso 0 dist 5.15851 4.74027 7.30467 7.79912 10.0425 9.16597 numMergedOcc 0
28 mol 76 unq 0 iso 0 dist 9.49449 3.69293 8.90522 6.97941 6.06861 7.61521 numMergedOcc 0
29 mol 78 unq 0 iso 0 dist 8.30646 8.82915 7.03887 11.3054 4.92509 7.91148 numMergedOcc 0
30 mol 78 unq 1 iso 0 dist 8.30646 6.33118 5.36451 11.3054 4.92509 6.59794 numMergedOcc 0
31 mol 78 unq 2 iso 0 dist 8.30646 13.3135 9.28354 11.3054 4.92509 8.34957 numMergedOcc 0
32 mol 88 unq 0 iso 0 dist 9.2603 4.47193 9.08952 9.36773 6.95868 6.65615 numMergedOcc 0
33 mol 88 unq 1 iso 0 dist 9.2603 4.47193 9.08952 8.31336 6.97239 5.07548 numMergedOcc 0
34 mol 102 unq 0 iso 0 dist 9.94856 3.48119 7.68537 7.36792 5.498 5.54256 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 6.81812 7.84907 5.45882 15.0169 8.69934 8.99912 numMergedOcc 0
36 mol 114 unq 0 iso 0 dist 8.68821 10.5728 9.26486 10.1937 9.2907 9.93438 numMergedOcc 0
37 mol 114 unq 1 iso 0 dist 7.12609 5.74761 9.26486 12.4727 9.2907 9.93438 numMergedOcc 0
38 mol 127 unq 0 iso 0 dist 9.81878 12.7606 7.79077 9.30299 4.77464 5.39356 numMergedOcc 0
39 mol 127 unq 1 iso 0 dist 9.81878 12.7606 7.79077 14.7391 7.11695 5.01504 numMergedOcc 0
40 mol 127 unq 2 iso 0 dist 9.81878 12.7606 7.79077 14.9565 9.79266 6.80627 numMergedOcc 0
41 mol 142 unq 0 iso 0 dist 7.15475 4.05822 5.69323 9.2313 9.49653 8.04118 numMergedOcc 0
42 mol 142 unq 1 iso 0 dist 7.15475 4.05822 5.69323 7.73169 7.53854 8.39035 numMergedOcc 0
43 mol 142 unq 2 iso 0 dist 9.07935 4.7832 5.69323 5.31024 9.49653 8.04118 numMergedOcc 0
44 mol 142 unq 3 iso 0 dist 9.07935 4.7832 5.69323 7.26382 7.53854 8.39035 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 6.71012 11.618 7.61421 9.94371 5.88819 9.70481 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 4.93785 6.13927 6.91878 7.81386 6.7991 8.29467 numMergedOcc 0
47 mol 197 unq 0 iso 0 dist 8.99696 11.9685 9.77656 11.6759 5.2908 9.23086 numMergedOcc 0
48 mol 197 unq 1 iso 0 dist 8.99696 11.9685 9.77656 12.1443 10.5397 8.37086 numMergedOcc 0
49 mol 218 unq 0 iso 0 dist 7.17547 14.5747 8.5244 10.9501 7.47048 7.84952 numMergedOcc 0
50 mol 218 unq 1 iso 0 dist 7.13323 11.7256 8.5244 12.8943 7.47048 7.84952 numMergedOcc 0
51 mol 235 unq 0 iso 0 dist 8.21247 4.75609 9.11149 5.4638 4.65302 8.08965 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 6.77938 5.96249 8.22608 5.30224 4.99891 9.18798 numMergedOcc 0
53 mol 259 unq 1 iso 0 dist 6.77938 5.97386 5.23503 5.30224 4.99891 8.25897 numMergedOcc 0
54 mol 259 unq 2 iso 0 dist 7.76676 5.97386 9.61028 5.30224 5.32839 8.25897 numMergedOcc 0
55 mol 265 unq 0 iso 0 dist 6.34034 7.71667 8.03604 8.4218 6.43013 5.7944 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 9.41725 7.75371 9.62597 12.5685 10.7791 9.54359 numMergedOcc 0
57 mol 277 unq 1 iso 0 dist 9.41725 7.75371 9.62597 9.7748 6.58374 5.69112 numMergedOcc 0
