0 mol 5 unq 0 iso 0 dist 8.51616 9.66511 9.60545 8.17911 7.64769 5.20676 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.51616 9.66511 9.60545 11.3339 8.31759 9.4292 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.67353 11.9387 8.85818 8.17911 8.68577 8.39528 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.67353 11.9387 8.85818 11.3339 8.13672 5.26748 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 5.34687 5.15638 7.85585 10.2968 6.83186 11.9421 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 5.26736 5.03579 7.92563 10.0741 6.83186 11.9204 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.83023 8.44335 8.28997 7.02956 5.31126 9.40786 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 7.83023 8.44335 8.28997 5.49918 4.49669 4.37694 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 7.83023 8.44335 8.28997 4.25595 6.00221 6.31995 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 7.83023 9.82679 7.98399 7.02956 5.31126 9.26558 numMergedOcc 0
10 mol 113 unq 4 iso 0 dist 7.83023 9.82679 7.98399 5.49918 4.49669 10.9453 numMergedOcc 0
11 mol 113 unq 5 iso 0 dist 7.83023 9.82679 7.98399 4.25595 6.00221 10.0348 numMergedOcc 0
12 mol 113 unq 6 iso 0 dist 6.49185 7.62869 9.72242 7.5374 7.02358 11.6507 numMergedOcc 0
13 mol 151 unq 0 iso 0 dist 7.79925 4.51242 8.68828 11.5622 9.37533 12.947 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 7.95377 9.85317 7.5669 6.57889 5.10589 9.08641 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 7.95377 9.85317 7.5669 5.83343 4.63336 10.9154 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 7.95377 9.85317 7.5669 4.39759 6.10715 10.1806 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.90148 11.8526 6.99201 6.02214 7.25595 7.8793 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 6.90148 11.8526 6.99201 12.6188 9.94825 11.482 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 6.30614 7.91547 6.99201 6.71348 7.25595 7.8793 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 6.30614 7.91547 6.99201 6.11153 9.94825 11.482 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 9.90853 10.8139 9.39466 5.03078 9.80479 9.00401 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.56474 9.23451 9.59154 9.69447 6.96692 15.6368 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 6.81489 9.23451 8.54753 5.6331 7.8598 11.3236 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 6.81489 9.23451 8.54753 9.69447 8.25286 15.6368 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 8.79185 8.71024 9.32127 5.6331 7.80711 3.49908 numMergedOcc 0
26 mol 266 unq 4 iso 0 dist 8.79185 8.71024 9.32127 9.69447 9.9965 12.9447 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 4.00395 8.82055 5.99705 9.74668 7.98956 10.9076 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 4.00395 8.82055 5.99705 7.89714 5.86185 7.81318 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 4.00395 8.82055 5.99705 8.88494 6.79748 8.19724 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 4.57068 8.82055 5.04543 8.88494 6.53598 8.19724 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 4.57068 13.2666 8.99501 8.88494 6.53598 12.0119 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 4.68425 5.59507 5.99705 9.56182 7.98956 10.9076 numMergedOcc 0
33 mol 277 unq 6 iso 0 dist 4.68425 5.59507 5.99705 7.8548 5.86185 7.81318 numMergedOcc 0
34 mol 277 unq 7 iso 0 dist 4.68425 5.59507 5.99705 5.36271 6.79748 8.19724 numMergedOcc 0
35 mol 277 unq 8 iso 0 dist 6.46232 5.59507 5.04543 5.36271 6.53598 8.19724 numMergedOcc 0
36 mol 277 unq 9 iso 0 dist 6.46232 11.9634 8.99501 5.36271 6.53598 12.0119 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 3.81829 11.0001 7.55248 10.2903 7.90368 4.60355 numMergedOcc 0
38 mol 281 unq 1 iso 0 dist 3.81829 11.0001 7.55248 9.01939 6.69267 10.5706 numMergedOcc 0
39 mol 281 unq 2 iso 0 dist 3.81829 9.23156 6.50041 10.2903 7.90368 6.21647 numMergedOcc 0
40 mol 281 unq 3 iso 0 dist 3.81829 9.23156 6.50041 9.01939 6.69267 8.67682 numMergedOcc 0
41 mol 281 unq 4 iso 0 dist 4.64792 9.23156 5.70591 7.25409 5.33372 9.7837 numMergedOcc 0
42 mol 281 unq 5 iso 0 dist 4.64792 9.23156 5.70591 9.01939 6.56886 8.67682 numMergedOcc 0
43 mol 281 unq 6 iso 0 dist 4.69609 5.5013 7.55248 8.13312 7.90368 4.60355 numMergedOcc 0
44 mol 281 unq 7 iso 0 dist 4.69609 5.5013 7.55248 5.07206 6.69267 10.5706 numMergedOcc 0
45 mol 281 unq 8 iso 0 dist 4.69609 5.68015 6.50041 8.13312 7.90368 6.21647 numMergedOcc 0
46 mol 281 unq 9 iso 0 dist 4.69609 5.68015 6.50041 5.07206 6.69267 8.67682 numMergedOcc 0
47 mol 281 unq 10 iso 0 dist 6.33927 5.68015 5.70591 11.5417 5.33372 9.7837 numMergedOcc 0
48 mol 281 unq 11 iso 0 dist 6.33927 5.68015 5.70591 5.07206 6.56886 8.67682 numMergedOcc 0
49 mol 285 unq 0 iso 0 dist 6.82552 9.31715 6.5191 4.0507 5.88958 10.9233 numMergedOcc 0
50 mol 285 unq 1 iso 0 dist 6.82552 9.31715 6.5191 8.91965 7.78121 14.0087 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 8.98138 12.7137 8.42001 10.0104 4.68668 4.0634 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 8.98138 12.7137 8.42001 10.0104 4.68668 4.0634 numMergedOcc 0
53 mol 289 unq 0 iso 0 dist 8.98138 12.7137 8.42001 10.0104 4.68668 4.0634 numMergedOcc 0
