0 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 6.10011 8.04817 9.76331 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 8.40844 7.84699 5.47475 6.10011 9.76331 8.04817 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.84699 8.40844 5.47475 8.124 5.2774 5.44275 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 8.40844 7.84699 5.47475 8.124 5.44275 5.2774 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.84699 6.99156 5.05066 6.10011 8.04817 10.4402 numMergedOcc 0
5 mol 73 unq 2 iso 1 dist 6.99156 7.84699 5.05066 6.10011 10.4402 8.04817 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 7.84699 6.99156 5.05066 8.124 5.2774 8.0624 numMergedOcc 0
7 mol 73 unq 3 iso 1 dist 6.99156 7.84699 5.05066 8.124 8.0624 5.2774 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.40844 6.99156 4.4628 6.10011 9.76331 10.4402 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 6.99156 8.40844 4.4628 6.10011 10.4402 9.76331 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.40844 6.99156 4.4628 8.124 5.44275 8.0624 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 6.99156 8.40844 4.4628 8.124 8.0624 5.44275 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.87856 6.2491 11.9551 5.85841 6.83826 9.30656 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 6.2491 8.87856 11.9551 5.85841 9.30656 6.83826 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.87856 6.2491 11.9551 7.00285 9.94628 5.39087 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 6.2491 8.87856 11.9551 7.00285 5.39087 9.94628 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 9.1109 5.51185 6.8125 9.3485 7.53958 4.79998 numMergedOcc 0
17 mol 101 unq 0 iso 1 dist 5.51185 9.1109 6.8125 9.3485 4.79998 7.53958 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 9.61113 7.59973 7.56811 7.42187 13.5433 8.51668 numMergedOcc 0
19 mol 102 unq 0 iso 1 dist 7.59973 9.61113 7.56811 7.42187 8.51668 13.5433 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.94564 9.21999 5.63574 6.54987 7.38651 10.3334 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 9.21999 7.94564 5.63574 6.54987 10.3334 7.38651 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 6.67598 8.98636 5.58471 9.19499 5.0966 8.58765 numMergedOcc 0
23 mol 156 unq 0 iso 1 dist 8.98636 6.67598 5.58471 9.19499 8.58765 5.0966 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 6.67598 8.98636 5.58471 7.11647 5.75141 5.6208 numMergedOcc 0
25 mol 156 unq 1 iso 1 dist 8.98636 6.67598 5.58471 7.11647 5.6208 5.75141 numMergedOcc 0
26 mol 156 unq 2 iso 0 dist 6.67598 8.79185 10.7024 9.19499 5.0966 9.07974 numMergedOcc 0
27 mol 156 unq 2 iso 1 dist 8.79185 6.67598 10.7024 9.19499 9.07974 5.0966 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 6.67598 8.79185 10.7024 7.11647 5.75141 5.70205 numMergedOcc 0
29 mol 156 unq 3 iso 1 dist 8.79185 6.67598 10.7024 7.11647 5.70205 5.75141 numMergedOcc 0
30 mol 156 unq 2 iso 0 dist 8.98636 8.79185 10.9842 9.19499 8.58765 9.07974 numMergedOcc 0
31 mol 156 unq 2 iso 1 dist 8.79185 8.98636 10.9842 9.19499 9.07974 8.58765 numMergedOcc 0
32 mol 156 unq 3 iso 0 dist 8.98636 8.79185 10.9842 7.11647 5.6208 5.70205 numMergedOcc 0
33 mol 156 unq 3 iso 1 dist 8.79185 8.98636 10.9842 7.11647 5.70205 5.6208 numMergedOcc 0
34 mol 199 unq 0 iso 0 dist 7.29716 8.80983 9.38427 9.30897 4.26752 12.1142 numMergedOcc 0
35 mol 199 unq 0 iso 1 dist 8.80983 7.29716 9.38427 9.30897 12.1142 4.26752 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 4.99301 6.36813 6.35724 9.74059 10.9595 13.311 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 6.36813 4.99301 6.35724 9.74059 13.311 10.9595 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 7.7163 9.2 5.75133 7.07564 5.63485 4.8786 numMergedOcc 0
39 mol 224 unq 1 iso 1 dist 9.2 7.7163 5.75133 7.07564 4.8786 5.63485 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 7.7163 9.2 5.75133 9.11052 10.3532 6.38066 numMergedOcc 0
41 mol 224 unq 2 iso 1 dist 9.2 7.7163 5.75133 9.11052 6.38066 10.3532 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 5.62804 7.07028 5.26217 numMergedOcc 0
43 mol 230 unq 0 iso 1 dist 6.73755 5.00735 5.38279 5.62804 5.26217 7.07028 numMergedOcc 0
44 mol 230 unq 1 iso 0 dist 5.00735 6.73755 5.38279 9.3619 11.491 7.46522 numMergedOcc 0
45 mol 230 unq 1 iso 1 dist 6.73755 5.00735 5.38279 9.3619 7.46522 11.491 numMergedOcc 0
46 mol 251 unq 0 iso 0 dist 8.20341 8.65547 5.5032 8.8487 6.74706 6.91874 numMergedOcc 0
47 mol 251 unq 0 iso 1 dist 8.65547 8.20341 5.5032 8.8487 6.91874 6.74706 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 7.4294 8.37253 11.2645 5.75874 6.9607 6.68041 numMergedOcc 0
49 mol 259 unq 0 iso 1 dist 8.37253 7.4294 11.2645 5.75874 6.68041 6.9607 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 8.99974 5.68643 4.94221 8.78883 8.19222 4.97216 numMergedOcc 0
51 mol 274 unq 0 iso 1 dist 5.68643 8.99974 4.94221 8.78883 4.97216 8.19222 numMergedOcc 0
52 mol 274 unq 1 iso 0 dist 8.99974 8.36043 7.65517 8.78883 8.19222 10.2686 numMergedOcc 0
53 mol 274 unq 1 iso 1 dist 8.36043 8.99974 7.65517 8.78883 10.2686 8.19222 numMergedOcc 0
54 mol 274 unq 1 iso 0 dist 5.68643 8.36043 6.01628 8.78883 4.97216 10.2686 numMergedOcc 0
55 mol 274 unq 1 iso 1 dist 8.36043 5.68643 6.01628 8.78883 10.2686 4.97216 numMergedOcc 0
56 mol 274 unq 2 iso 0 dist 8.26695 5.59151 6.07831 5.82876 12.0757 7.96313 numMergedOcc 0
57 mol 274 unq 2 iso 1 dist 5.59151 8.26695 6.07831 5.82876 7.96313 12.0757 numMergedOcc 0
58 mol 274 unq 3 iso 0 dist 8.26695 5.59151 6.07831 8.71129 16.0765 13.1879 numMergedOcc 0
59 mol 274 unq 3 iso 1 dist 5.59151 8.26695 6.07831 8.71129 13.1879 16.0765 numMergedOcc 0
60 mol 274 unq 4 iso 0 dist 8.26695 8.17922 16.4367 5.82876 12.0757 7.97998 numMergedOcc 0
61 mol 274 unq 4 iso 1 dist 8.17922 8.26695 16.4367 5.82876 7.97998 12.0757 numMergedOcc 0
62 mol 274 unq 5 iso 0 dist 8.26695 8.17922 16.4367 8.71129 16.0765 5.7745 numMergedOcc 0
63 mol 274 unq 5 iso 1 dist 8.17922 8.26695 16.4367 8.71129 5.7745 16.0765 numMergedOcc 0
64 mol 274 unq 4 iso 0 dist 5.59151 8.17922 12.757 5.82876 7.96313 7.97998 numMergedOcc 0
65 mol 274 unq 4 iso 1 dist 8.17922 5.59151 12.757 5.82876 7.97998 7.96313 numMergedOcc 0
66 mol 274 unq 5 iso 0 dist 5.59151 8.17922 12.757 8.71129 13.1879 5.7745 numMergedOcc 0
67 mol 274 unq 5 iso 1 dist 8.17922 5.59151 12.757 8.71129 5.7745 13.1879 numMergedOcc 0
68 mol 277 unq 0 iso 0 dist 8.83777 9.42812 11.4925 7.07459 12.7283 13.8339 numMergedOcc 0
69 mol 277 unq 0 iso 1 dist 9.42812 8.83777 11.4925 7.07459 13.8339 12.7283 numMergedOcc 0
70 mol 279 unq 0 iso 0 dist 8.76889 6.37469 11.9542 5.70546 9.36068 5.13535 numMergedOcc 0
71 mol 279 unq 0 iso 1 dist 6.37469 8.76889 11.9542 5.70546 5.13535 9.36068 numMergedOcc 0
72 mol 280 unq 0 iso 0 dist 9.047 9.9227 11.5166 8.80588 14.1091 4.95798 numMergedOcc 0
73 mol 280 unq 0 iso 1 dist 9.9227 9.047 11.5166 8.80588 4.95798 14.1091 numMergedOcc 0
