0 mol 5 unq 0 iso 0 dist 9.60545 5.20676 7.64769 9.4292 8.31759 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 9.60545 9.4292 8.31759 5.20676 7.64769 4.73885 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 8.85818 8.39528 8.68577 5.26748 8.13672 4.73885 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 8.85818 5.26748 8.13672 8.39528 8.68577 4.73885 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 7.2697 15.0258 8.88124 8.10328 8.19484 13.5807 numMergedOcc 0
5 mol 107 unq 0 iso 1 dist 7.2697 8.10328 8.19484 15.0258 8.88124 13.5807 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.04721 4.53269 9.51764 6.90764 9.29327 10.241 numMergedOcc 0
7 mol 109 unq 0 iso 1 dist 8.04721 6.90764 9.29327 4.53269 9.51764 10.241 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.28997 9.40786 5.31126 4.37694 4.49669 5.7147 numMergedOcc 0
9 mol 113 unq 0 iso 1 dist 8.28997 4.37694 4.49669 9.40786 5.31126 5.7147 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.28997 9.40786 5.31126 6.31995 6.00221 8.09465 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 8.28997 6.31995 6.00221 9.40786 5.31126 8.09465 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.28997 4.37694 4.49669 6.31995 6.00221 3.74304 numMergedOcc 0
13 mol 113 unq 1 iso 1 dist 8.28997 6.31995 6.00221 4.37694 4.49669 3.74304 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 8.54311 9.40786 7.16619 4.37694 5.88896 5.7147 numMergedOcc 0
15 mol 113 unq 2 iso 1 dist 8.54311 4.37694 5.88896 9.40786 7.16619 5.7147 numMergedOcc 0
16 mol 113 unq 3 iso 0 dist 7.98399 9.26558 5.31126 10.9453 4.49669 5.7147 numMergedOcc 0
17 mol 113 unq 3 iso 1 dist 7.98399 10.9453 4.49669 9.26558 5.31126 5.7147 numMergedOcc 0
18 mol 113 unq 4 iso 0 dist 7.98399 9.26558 5.31126 10.0348 6.00221 8.09465 numMergedOcc 0
19 mol 113 unq 4 iso 1 dist 7.98399 10.0348 6.00221 9.26558 5.31126 8.09465 numMergedOcc 0
20 mol 113 unq 4 iso 0 dist 7.98399 10.9453 4.49669 10.0348 6.00221 3.74304 numMergedOcc 0
21 mol 113 unq 4 iso 1 dist 7.98399 10.0348 6.00221 10.9453 4.49669 3.74304 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 7.5669 9.08641 5.10589 10.9154 4.63336 5.23644 numMergedOcc 0
23 mol 169 unq 0 iso 1 dist 7.5669 10.9154 4.63336 9.08641 5.10589 5.23644 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 7.5669 9.08641 5.10589 10.1806 6.10715 7.52063 numMergedOcc 0
25 mol 169 unq 1 iso 1 dist 7.5669 10.1806 6.10715 9.08641 5.10589 7.52063 numMergedOcc 0
26 mol 169 unq 1 iso 0 dist 7.5669 10.9154 4.63336 10.1806 6.10715 3.74306 numMergedOcc 0
27 mol 169 unq 1 iso 1 dist 7.5669 10.1806 6.10715 10.9154 4.63336 3.74306 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.99201 7.8793 7.25595 11.482 9.94825 12.8007 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 6.99201 11.482 9.94825 7.8793 7.25595 12.8007 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 8.54753 11.3236 7.8598 15.6368 8.25286 11.938 numMergedOcc 0
31 mol 266 unq 0 iso 1 dist 8.54753 15.6368 8.25286 11.3236 7.8598 11.938 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 9.32127 3.49908 7.80711 12.9447 9.9965 11.938 numMergedOcc 0
33 mol 266 unq 1 iso 1 dist 9.32127 12.9447 9.9965 3.49908 7.80711 11.938 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 7.34607 4.97876 7.8598 5.36572 7.80711 3.00605 numMergedOcc 0
35 mol 266 unq 2 iso 1 dist 7.34607 5.36572 7.80711 4.97876 7.8598 3.00605 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 5.99705 10.9076 7.98956 7.81318 5.86185 3.41319 numMergedOcc 0
37 mol 277 unq 0 iso 1 dist 5.99705 7.81318 5.86185 10.9076 7.98956 3.41319 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 5.99705 10.9076 7.98956 8.19724 6.79748 13.9697 numMergedOcc 0
39 mol 277 unq 1 iso 1 dist 5.99705 8.19724 6.79748 10.9076 7.98956 13.9697 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 5.99705 7.81318 5.86185 8.19724 6.79748 12.1514 numMergedOcc 0
41 mol 277 unq 1 iso 1 dist 5.99705 8.19724 6.79748 7.81318 5.86185 12.1514 numMergedOcc 0
42 mol 281 unq 0 iso 0 dist 7.55248 4.60355 7.90368 10.5706 6.69267 12.7734 numMergedOcc 0
43 mol 281 unq 0 iso 1 dist 7.55248 10.5706 6.69267 4.60355 7.90368 12.7734 numMergedOcc 0
44 mol 281 unq 1 iso 0 dist 6.50041 6.21647 7.90368 8.67682 6.69267 12.7734 numMergedOcc 0
45 mol 281 unq 1 iso 1 dist 6.50041 8.67682 6.69267 6.21647 7.90368 12.7734 numMergedOcc 0
46 mol 281 unq 2 iso 0 dist 5.70591 9.7837 5.33372 8.67682 6.56886 10.2487 numMergedOcc 0
47 mol 281 unq 2 iso 1 dist 5.70591 8.67682 6.56886 9.7837 5.33372 10.2487 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 6.5191 10.9233 5.88958 14.0087 7.78121 4.87372 numMergedOcc 0
49 mol 285 unq 0 iso 1 dist 6.5191 14.0087 7.78121 10.9233 5.88958 4.87372 numMergedOcc 0
