0 mol 55 unq 0 iso 0 dist 8.37544 6.56327 7.43154 10.2889 11.6572 9.30367 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 4.92955 6.40817 7.43154 12.9947 11.6572 9.30367 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 5.9644 11.2919 9.16658 13.6051 10.9414 9.35912 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.53468 9.70734 8.91206 11.1323 6.28525 9.27331 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.53468 5.41551 8.67513 5.68726 5.9876 6.328 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.78859 5.41551 9.12738 5.68726 3.69759 6.328 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 5.90954 9.93198 8.91206 11.6465 6.28525 9.27331 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 5.90954 5.54987 8.67513 7.46882 5.9876 6.328 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.81334 7.08972 4.66377 12.3287 5.00699 6.98862 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.69384 6.05149 6.07578 8.71103 3.51719 7.41952 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.34352 4.24483 7.36744 10.4992 3.98556 7.12199 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 9.34352 4.24483 7.36744 7.81131 6.83871 7.90837 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 9.49192 13.907 9.7695 16.6088 9.85904 7.81042 numMergedOcc 0
13 mol 103 unq 1 iso 0 dist 9.7171 4.36597 9.39702 6.67575 8.20815 7.57822 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 7.98999 14.3349 7.35503 15.8105 7.99528 7.02969 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 7.98999 15.4161 8.79543 15.8105 7.99528 7.02265 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 7.98999 9.87475 6.48223 15.8105 7.99528 9.42175 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 7.62584 5.11455 4.85559 10.2168 4.79695 7.9663 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 7.62584 10.0429 6.87562 10.2168 4.79695 6.54338 numMergedOcc 0
19 mol 130 unq 2 iso 0 dist 7.62584 10.0429 6.87562 10.0676 8.11667 9.39135 numMergedOcc 0
20 mol 130 unq 3 iso 0 dist 7.39532 7.43279 4.85559 11.9351 4.79695 7.9663 numMergedOcc 0
21 mol 130 unq 4 iso 0 dist 7.39532 10.9627 6.87562 11.9351 4.79695 6.54338 numMergedOcc 0
22 mol 130 unq 5 iso 0 dist 7.39532 10.9627 6.87562 15.4338 8.11667 9.39135 numMergedOcc 0
23 mol 163 unq 0 iso 0 dist 8.12896 5.02465 6.96572 11.2057 5.82796 9.85967 numMergedOcc 0
24 mol 163 unq 1 iso 0 dist 8.88092 11.6445 6.96572 13.928 5.82796 9.85967 numMergedOcc 0
25 mol 163 unq 2 iso 0 dist 9.3832 17.2409 9.29539 14.9105 10.8136 9.85967 numMergedOcc 0
26 mol 163 unq 3 iso 0 dist 6.0247 8.52732 9.29539 14.7912 10.8136 9.85967 numMergedOcc 0
27 mol 163 unq 4 iso 0 dist 6.40873 10.0505 9.29539 14.4138 10.8136 9.85967 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 7.68295 5.24208 6.81707 10.111 10.6959 9.47945 numMergedOcc 0
29 mol 173 unq 0 iso 0 dist 5.36078 7.46995 4.0037 13.1027 8.32122 5.97008 numMergedOcc 0
30 mol 183 unq 0 iso 0 dist 8.84125 4.0252 6.76315 7.38821 4.76844 7.69421 numMergedOcc 0
31 mol 183 unq 1 iso 0 dist 8.23616 5.66126 6.76315 10.6152 4.76844 7.69421 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.47421 14.9776 8.74308 21.7473 16.45 9.08767 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 5.72444 5.7173 8.23919 6.2441 5.18278 8.44004 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 7.53138 8.54852 7.60925 14.184 9.38497 8.23246 numMergedOcc 0
35 mol 251 unq 0 iso 0 dist 8.38382 6.58237 5.0953 10.8011 4.20853 8.65339 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 9.39659 5.57126 9.54884 13.2523 9.00495 9.56469 numMergedOcc 0
37 mol 266 unq 1 iso 0 dist 8.25445 6.31111 7.25797 13.2523 5.75478 9.58577 numMergedOcc 0
38 mol 266 unq 2 iso 0 dist 8.25445 5.57126 6.03938 13.2523 5.75478 9.56469 numMergedOcc 0
39 mol 272 unq 0 iso 0 dist 8.36282 14.2164 7.11691 17.2986 9.0626 7.50321 numMergedOcc 0
40 mol 272 unq 1 iso 0 dist 8.36282 14.2164 7.11691 16.1575 8.41005 9.61597 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.89698 16.839 9.4626 11.8069 7.47773 6.12202 numMergedOcc 0
42 mol 285 unq 0 iso 0 dist 6.89391 9.97666 7.06878 17.2934 11.6511 8.63954 numMergedOcc 0
43 mol 285 unq 1 iso 0 dist 6.89391 9.97666 7.06878 12.3495 6.93502 4.74716 numMergedOcc 0
