0 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.8924 14.7292 8.94096 8.79272 11.2076 7.12263 14.5611 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 12.8924 14.7292 8.94096 6.32152 10.715 5.00267 6.69972 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.96553 7.3915 7.43529 4.85329 10.2611 9.07858 8.79272 11.2076 7.12263 12.9762 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.96553 7.3915 7.43529 4.85329 10.2611 9.07858 6.32152 10.715 5.00267 6.3125 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 5.60154 8.47421 8.04924 11.0722 8.83269 5.55437 6.81435 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 5.39241 9.75144 8.62284 6.58998 10.7114 9.38831 11.3767 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 5.39241 12.4274 8.62284 6.58998 6.72502 9.38831 11.3767 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 11.7126 11.695 9.9928 7.21418 10.0289 8.71286 6.03931 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 11.7126 13.9977 9.9928 7.21418 10.9766 8.71286 6.03931 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 11.7126 6.99777 9.9928 7.21418 5.74857 8.71286 6.03931 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 10.0197 14.0269 9.87025 3.78311 7.77116 8.03035 11.1324 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 10.6679 9.63176 5.85818 3.78311 7.77116 8.03035 8.96522 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 6.35763 6.19042 9.87025 4.99056 13.1741 8.03035 11.1324 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 9.87172 7.99857 7.61939 7.36192 7.44174 5.85818 4.99056 13.1741 8.03035 8.96522 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 4.89973 11.0153 9.39683 11.5688 16.4092 7.76594 12.4067 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 7.00551 11.0153 9.39683 15.7796 16.4092 7.76594 12.4067 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 5.44503 9.93541 6.40901 10.8441 13.4668 5.73236 7.12863 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 5.07967 10.7757 7.04913 5.82636 6.2319 4.9941 6.6213 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 8.34702 9.43259 6.44255 13.2847 13.0488 6.87906 10.7023 5.38091 5.90883 10.5496 numMergedOcc 0
19 mol 156 unq 2 iso 0 dist 8.34702 9.43259 6.44255 5.97294 10.0526 7.94975 10.7023 5.38091 5.90883 9.19336 numMergedOcc 0
20 mol 156 unq 3 iso 0 dist 8.34702 9.43259 6.44255 16.5051 14.6135 8.49473 10.7023 5.38091 5.90883 13.3907 numMergedOcc 0
21 mol 156 unq 4 iso 0 dist 8.34702 9.43259 6.44255 13.6496 9.38246 9.39865 10.7023 5.38091 5.90883 4.24398 numMergedOcc 0
22 mol 156 unq 5 iso 0 dist 8.34702 6.2319 5.82636 13.2847 13.0488 9.54367 5.71107 7.73169 4.9941 14.2138 numMergedOcc 0
23 mol 156 unq 6 iso 0 dist 8.34702 6.2319 5.82636 13.2847 13.0488 9.54367 10.7023 5.38091 8.06913 10.5496 numMergedOcc 0
24 mol 156 unq 7 iso 0 dist 8.34702 6.2319 5.82636 5.97294 10.0526 7.26859 5.71107 7.73169 4.9941 10.1294 numMergedOcc 0
25 mol 156 unq 8 iso 0 dist 8.34702 6.2319 5.82636 5.97294 10.0526 7.26859 10.7023 5.38091 8.06913 9.19336 numMergedOcc 0
26 mol 156 unq 9 iso 0 dist 9.06726 7.73169 11.2067 5.07967 13.5803 7.04913 5.82636 9.97732 4.9941 6.6213 numMergedOcc 0
27 mol 156 unq 10 iso 0 dist 9.06726 9.97732 5.82636 14.42 13.0488 9.54367 11.2067 7.73169 4.9941 14.2138 numMergedOcc 0
28 mol 156 unq 11 iso 0 dist 9.06726 9.97732 5.82636 14.42 13.0488 9.54367 9.00862 5.38091 8.06913 10.5496 numMergedOcc 0
29 mol 156 unq 12 iso 0 dist 9.06726 9.97732 5.82636 6.53729 10.0526 7.26859 11.2067 7.73169 4.9941 10.1294 numMergedOcc 0
30 mol 156 unq 13 iso 0 dist 9.06726 9.97732 5.82636 6.53729 10.0526 7.26859 9.00862 5.38091 8.06913 9.19336 numMergedOcc 0
31 mol 156 unq 14 iso 0 dist 8.33171 7.73169 9.44399 5.07967 11.7927 7.04913 5.82636 10.5243 4.9941 6.6213 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 6.43754 12.4085 7.1372 11.0628 12.9778 9.56257 5.92529 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 9.60993 12.9493 9.20589 10.5813 8.03442 9.56257 8.84427 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 7.22101 8.38865 11.0628 13.3557 12.3856 7.89801 10.5813 8.03442 9.56257 5.95112 numMergedOcc 0
35 mol 227 unq 3 iso 0 dist 7.22101 8.03442 10.5813 6.43754 8.17891 7.1372 11.0628 8.38865 9.56257 5.92529 numMergedOcc 0
36 mol 227 unq 4 iso 0 dist 8.65997 5.4694 11.0628 5.34702 12.9493 9.20589 7.22396 8.03442 9.56257 8.84427 numMergedOcc 0
37 mol 227 unq 5 iso 0 dist 8.65997 5.4694 11.0628 8.8709 12.3856 7.89801 7.22396 8.03442 9.56257 5.95112 numMergedOcc 0
38 mol 227 unq 6 iso 0 dist 8.65997 8.03442 7.22396 6.43754 6.95902 7.1372 11.0628 5.4694 9.56257 5.92529 numMergedOcc 0
39 mol 227 unq 7 iso 0 dist 7.56888 8.03442 6.10296 6.43754 11.004 7.1372 11.0628 13.9676 9.56257 5.92529 numMergedOcc 0
40 mol 227 unq 8 iso 0 dist 7.55216 8.03442 9.69537 6.43754 12.8864 7.1372 11.0628 16.9219 9.56257 5.92529 numMergedOcc 0
41 mol 227 unq 9 iso 0 dist 7.09863 8.38865 12.9587 9.60993 15.4174 9.20589 10.5813 12.2278 9.56257 8.84427 numMergedOcc 0
42 mol 227 unq 10 iso 0 dist 7.09863 8.38865 12.9587 13.3557 16.1617 7.89801 10.5813 12.2278 9.56257 5.95112 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 8.85181 13.9989 9.42618 10.7551 11.2809 9.89583 18.0054 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 12.3807 21.0973 9.42738 9.37297 15.2775 5.74568 8.79843 numMergedOcc 0
45 mol 294 unq 0 iso 0 dist 8.15665 9.13907 5.25615 6.17102 9.03492 8.32473 12.0308 12.1586 7.41079 8.73481 numMergedOcc 0
