0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 10.2446 7.88043 7.45262 10.672 12.2708 6.57017 9.55056 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 12.3097 8.80762 6.96586 10.672 12.2708 6.57017 7.57354 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 5.44992 5.72491 9.55056 9.36807 10.515 6.57017 7.45262 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 5.44992 5.72491 7.45262 7.31201 10.789 6.57017 9.55056 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 7.63133 5.47769 5.94084 10.454 6.56335 11.6017 13.0191 6.73355 10.9633 7.40724 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 5.46498 6.58035 5.94084 6.70071 6.56335 11.6017 8.41862 6.73355 10.9633 7.40724 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 10.6756 5.69955 12.4188 17.2621 9.87119 16.6875 7.61055 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.83991 7.76729 10.9739 6.4497 5.72642 14.0242 13.9977 11.7126 19.687 9.9928 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 7.88312 9.14376 4.62962 7.3094 5.72642 9.68845 6.99777 11.7126 11.889 9.9928 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 4.91132 8.56342 5.85818 14.0269 10.0197 8.58342 9.87025 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.87172 9.38288 11.7228 7.61939 7.99857 15.0419 6.19042 6.35763 6.59581 9.87025 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.87172 9.38288 11.7228 7.61939 7.99857 15.0419 7.44174 7.36192 11.6138 5.85818 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 9.87172 6.19042 6.35763 7.61939 7.99857 9.87025 7.44174 7.36192 8.58342 5.85818 numMergedOcc 0
13 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 7.61939 7.99857 5.85818 6.19042 6.35763 8.58342 9.87025 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 8.70949 8.74308 6.76754 5.97111 8.33077 10.3718 6.89257 8.84655 6.09983 6.42785 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 6.44255 9.43259 10.8344 13.0488 13.2847 15.2948 6.87906 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 8.34702 7.36119 11.787 6.44255 9.43259 10.8344 10.0526 5.97294 11.3741 7.94975 numMergedOcc 0
17 mol 156 unq 2 iso 0 dist 8.34702 7.36119 11.787 6.44255 9.43259 10.8344 14.6135 16.5051 18.6986 8.49473 numMergedOcc 0
18 mol 156 unq 3 iso 0 dist 8.34702 7.36119 11.787 6.44255 9.43259 10.8344 9.38246 13.6496 5.39126 9.39865 numMergedOcc 0
19 mol 156 unq 4 iso 0 dist 8.34702 7.36119 11.787 5.82636 6.2319 11.6744 13.0488 13.2847 15.2948 9.54367 numMergedOcc 0
20 mol 156 unq 5 iso 0 dist 8.34702 7.36119 11.787 5.82636 6.2319 11.6744 10.0526 5.97294 11.3741 7.26859 numMergedOcc 0
21 mol 156 unq 6 iso 0 dist 9.06726 7.36119 7.71144 5.82636 9.97732 11.6744 13.0488 14.42 15.2948 9.54367 numMergedOcc 0
22 mol 156 unq 7 iso 0 dist 9.06726 7.36119 7.71144 5.82636 9.97732 11.6744 10.0526 6.53729 11.3741 7.26859 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 5.93488 6.51749 7.345 7.13543 10.0524 6.33699 9.52987 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 5.93488 6.51749 9.52987 7.20046 5.4601 6.33699 7.345 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 9.09537 7.20046 6.14208 5.93488 7.20392 7.345 7.13543 5.95965 6.33699 9.52987 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 9.09537 7.13543 5.95965 5.93488 7.20392 9.52987 7.20046 6.14208 6.33699 7.345 numMergedOcc 0
27 mol 181 unq 4 iso 0 dist 9.15386 9.6668 8.25067 7.64267 6.51749 11.1398 11.968 5.4601 13.6811 7.345 numMergedOcc 0
28 mol 181 unq 5 iso 0 dist 9.15386 9.6668 8.25067 7.64267 6.51749 11.1398 11.8099 10.0524 17.3245 9.52987 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 8.65997 9.62609 14.6185 7.22396 8.03442 10.841 6.95902 6.43754 8.55671 7.1372 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 7.55216 8.83563 11.662 9.69537 8.03442 17.6352 12.8864 6.43754 18.0561 7.1372 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 10.216 5.64181 6.44735 10.5202 10.4664 12.1411 8.6597 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.22714 7.49471 5.17471 10.216 5.64181 6.44735 12.1784 11.2717 10.1756 7.47235 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 6.22714 7.49471 5.17471 10.216 5.64181 6.44735 10.9946 5.03393 6.34909 5.91208 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 7.31233 6.55759 10.4664 7.83352 5.64181 8.6597 7.02475 11.2717 6.44245 7.47235 numMergedOcc 0
35 mol 238 unq 4 iso 0 dist 7.31233 6.55759 10.4664 7.83352 5.64181 8.6597 7.19008 5.17471 12.1411 6.44735 numMergedOcc 0
36 mol 238 unq 5 iso 0 dist 7.31233 6.55759 10.4664 7.83352 5.64181 8.6597 11.3465 5.03393 13.7867 5.91208 numMergedOcc 0
37 mol 238 unq 6 iso 0 dist 7.31233 7.02475 11.2717 7.83352 5.64181 7.47235 6.55759 10.4664 6.44245 8.6597 numMergedOcc 0
38 mol 238 unq 7 iso 0 dist 7.31233 7.02475 11.2717 7.83352 5.64181 7.47235 7.19008 5.17471 10.1756 6.44735 numMergedOcc 0
39 mol 238 unq 8 iso 0 dist 7.31233 7.02475 11.2717 7.83352 5.64181 7.47235 11.3465 5.03393 13.0634 5.91208 numMergedOcc 0
40 mol 238 unq 9 iso 0 dist 7.31233 7.67322 12.6986 7.83352 5.64181 10.3116 6.55759 10.4664 10.677 8.6597 numMergedOcc 0
41 mol 238 unq 10 iso 0 dist 7.31233 7.67322 12.6986 7.83352 5.64181 10.3116 7.02475 11.2717 5.44694 7.47235 numMergedOcc 0
42 mol 238 unq 11 iso 0 dist 7.31233 7.67322 12.6986 7.83352 5.64181 10.3116 7.19008 5.17471 9.50847 6.44735 numMergedOcc 0
43 mol 238 unq 12 iso 0 dist 7.31233 7.67322 12.6986 7.83352 5.64181 10.3116 11.3465 5.03393 14.4744 5.91208 numMergedOcc 0
44 mol 238 unq 13 iso 0 dist 7.31233 7.19008 5.17471 7.83352 5.64181 6.44735 6.55759 10.4664 12.1411 8.6597 numMergedOcc 0
45 mol 238 unq 14 iso 0 dist 7.31233 7.19008 5.17471 7.83352 5.64181 6.44735 7.02475 11.2717 10.1756 7.47235 numMergedOcc 0
46 mol 238 unq 15 iso 0 dist 7.31233 7.19008 5.17471 7.83352 5.64181 6.44735 11.3465 5.03393 6.34909 5.91208 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 8.1148 7.66365 4.23801 5.89666 8.47784 5.2361 10.765 13.6996 9.93756 5.57515 numMergedOcc 0
48 mol 252 unq 1 iso 0 dist 8.1148 7.66365 4.23801 5.89666 8.47784 5.2361 13.5038 15.4395 11.2543 8.28694 numMergedOcc 0
49 mol 272 unq 0 iso 0 dist 9.97651 9.09992 10.841 4.86504 9.64269 11.7075 6.16449 4.72202 9.75529 7.55161 numMergedOcc 0
50 mol 272 unq 1 iso 0 dist 8.33638 6.73206 5.63139 8.7909 8.46061 11.7075 10.1966 8.52877 9.75529 7.55161 numMergedOcc 0
51 mol 272 unq 2 iso 0 dist 8.46116 9.09992 5.63139 4.86504 8.46061 11.7075 6.16449 8.52877 9.75529 7.55161 numMergedOcc 0
