0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 6.26831 6.34883 9.19662 10.3034 10.9812 14.3013 7.48645 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 6.26831 9.19662 6.34883 10.3034 14.3013 10.9812 7.48645 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 6.56335 10.454 6.70071 6.73355 13.0191 8.41862 7.40724 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 5.46498 7.63133 5.32694 6.56335 6.70071 10.454 6.73355 8.41862 13.0191 7.40724 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.63133 8.71745 10.4155 6.56335 10.454 4.50891 6.73355 13.0191 8.16785 7.40724 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 8.71745 7.63133 10.4155 6.56335 4.50891 10.454 6.73355 8.16785 13.0191 7.40724 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 5.46498 8.71745 5.74188 6.56335 6.70071 4.50891 6.73355 8.41862 8.16785 7.40724 numMergedOcc 0
7 mol 16 unq 1 iso 1 dist 8.71745 5.46498 5.74188 6.56335 4.50891 6.70071 6.73355 8.16785 8.41862 7.40724 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 5.39241 9.75144 12.4274 8.62284 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 5.39241 12.4274 9.75144 8.62284 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 5.72642 5.61704 6.4497 11.7126 11.695 13.9977 9.9928 numMergedOcc 0
11 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 11.7126 13.9977 11.695 9.9928 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 5.72642 5.61704 7.3094 11.7126 11.695 6.99777 9.9928 numMergedOcc 0
13 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 11.7126 6.99777 11.695 9.9928 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 11.7126 13.9977 6.99777 9.9928 numMergedOcc 0
15 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 11.7126 6.99777 13.9977 9.9928 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 8.75408 6.44653 5.23036 8.93905 7.27181 10.5192 8.94259 12.865 13.6677 8.43028 numMergedOcc 0
17 mol 120 unq 0 iso 1 dist 6.44653 8.75408 5.23036 8.93905 10.5192 7.27181 8.94259 13.6677 12.865 8.43028 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.73169 5.71107 11.2067 5.07967 10.7757 13.5803 7.04913 numMergedOcc 0
19 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.73169 11.2067 5.71107 5.07967 13.5803 10.7757 7.04913 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.34702 8.33171 6.56229 7.73169 5.71107 9.44399 5.07967 10.7757 11.7927 7.04913 numMergedOcc 0
21 mol 156 unq 1 iso 1 dist 8.33171 8.34702 6.56229 7.73169 9.44399 5.71107 5.07967 11.7927 10.7757 7.04913 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 9.06726 8.33171 5.64555 7.73169 11.2067 9.44399 5.07967 13.5803 11.7927 7.04913 numMergedOcc 0
23 mol 156 unq 1 iso 1 dist 8.33171 9.06726 5.64555 7.73169 9.44399 11.2067 5.07967 11.7927 13.5803 7.04913 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.92088 10.1489 8.27339 5.25267 10.5498 11.4139 5.98771 numMergedOcc 0
25 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 4.92088 8.27339 10.1489 5.25267 11.4139 10.5498 5.98771 numMergedOcc 0
26 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.92088 10.1489 9.79302 5.25267 10.5498 10.2288 5.98771 numMergedOcc 0
27 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 4.92088 9.79302 10.1489 5.25267 10.2288 10.5498 5.98771 numMergedOcc 0
28 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.92088 10.1489 8.65097 5.25267 10.5498 11.4815 5.98771 numMergedOcc 0
29 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 4.92088 8.65097 10.1489 5.25267 11.4815 10.5498 5.98771 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 4.92088 8.27339 9.79302 5.25267 11.4139 10.2288 5.98771 numMergedOcc 0
31 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 4.92088 9.79302 8.27339 5.25267 10.2288 11.4139 5.98771 numMergedOcc 0
32 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 4.92088 8.27339 8.65097 5.25267 11.4139 11.4815 5.98771 numMergedOcc 0
33 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 4.92088 8.65097 8.27339 5.25267 11.4815 11.4139 5.98771 numMergedOcc 0
34 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 4.92088 9.79302 8.65097 5.25267 10.2288 11.4815 5.98771 numMergedOcc 0
35 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 4.92088 8.65097 9.79302 5.25267 11.4815 10.2288 5.98771 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.51749 13.8722 5.93488 5.4601 10.2276 7.20046 7.345 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 5.4601 7.20046 10.2276 7.345 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.51749 13.8722 5.93488 10.0524 10.7636 7.13543 9.52987 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 10.0524 7.13543 10.7636 9.52987 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.51749 13.8722 7.64267 5.4601 10.2276 11.968 7.345 numMergedOcc 0
41 mol 181 unq 2 iso 1 dist 9.15386 9.1374 12.1628 6.51749 7.64267 13.8722 5.4601 11.968 10.2276 7.345 numMergedOcc 0
42 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.51749 13.8722 7.64267 10.0524 10.7636 11.8099 9.52987 numMergedOcc 0
43 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.51749 7.64267 13.8722 10.0524 11.8099 10.7636 9.52987 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 5.4601 7.20046 11.968 7.345 numMergedOcc 0
45 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 6.51749 7.64267 5.93488 5.4601 11.968 7.20046 7.345 numMergedOcc 0
46 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 10.0524 7.13543 11.8099 9.52987 numMergedOcc 0
47 mol 181 unq 3 iso 1 dist 9.15386 5.98885 5.16002 6.51749 7.64267 5.93488 10.0524 11.8099 7.13543 9.52987 numMergedOcc 0
48 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 7.24199 7.0057 8.51255 5.71262 8.36822 12.1647 8.53433 numMergedOcc 0
49 mol 192 unq 0 iso 1 dist 7.00794 5.59424 5.76246 7.24199 8.51255 7.0057 5.71262 12.1647 8.36822 8.53433 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 6.38157 7.38025 9.35273 6.67959 10.852 12.6888 5.10114 numMergedOcc 0
51 mol 214 unq 0 iso 1 dist 7.14453 9.65138 9.10746 6.38157 9.35273 7.38025 6.67959 12.6888 10.852 5.10114 numMergedOcc 0
52 mol 214 unq 1 iso 0 dist 9.65138 8.85478 4.40923 6.38157 7.38025 5.63388 6.67959 10.852 7.46831 5.10114 numMergedOcc 0
53 mol 214 unq 1 iso 1 dist 8.85478 9.65138 4.40923 6.38157 5.63388 7.38025 6.67959 7.46831 10.852 5.10114 numMergedOcc 0
54 mol 214 unq 1 iso 0 dist 7.14453 8.85478 11.3796 6.38157 9.35273 5.63388 6.67959 12.6888 7.46831 5.10114 numMergedOcc 0
55 mol 214 unq 1 iso 1 dist 8.85478 7.14453 11.3796 6.38157 5.63388 9.35273 6.67959 7.46831 12.6888 5.10114 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 8.03442 10.2525 10.5813 6.43754 12.4085 8.17891 7.1372 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 6.43754 8.17891 12.4085 7.1372 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 9.34734 8.65997 7.60506 8.03442 10.2525 7.22396 6.43754 12.4085 6.95902 7.1372 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 6.43754 6.95902 12.4085 7.1372 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 9.34734 7.56888 7.43198 8.03442 10.2525 6.10296 6.43754 12.4085 11.004 7.1372 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 7.56888 9.34734 7.43198 8.03442 6.10296 10.2525 6.43754 11.004 12.4085 7.1372 numMergedOcc 0
62 mol 227 unq 3 iso 0 dist 9.34734 7.55216 9.51866 8.03442 10.2525 9.69537 6.43754 12.4085 12.8864 7.1372 numMergedOcc 0
63 mol 227 unq 3 iso 1 dist 7.55216 9.34734 9.51866 8.03442 9.69537 10.2525 6.43754 12.8864 12.4085 7.1372 numMergedOcc 0
64 mol 227 unq 4 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 9.60993 12.9493 15.4174 9.20589 numMergedOcc 0
65 mol 227 unq 4 iso 1 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 9.60993 15.4174 12.9493 9.20589 numMergedOcc 0
66 mol 227 unq 5 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 13.3557 12.3856 16.1617 7.89801 numMergedOcc 0
67 mol 227 unq 5 iso 1 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 13.3557 16.1617 12.3856 7.89801 numMergedOcc 0
68 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 6.43754 8.17891 6.95902 7.1372 numMergedOcc 0
69 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 6.43754 6.95902 8.17891 7.1372 numMergedOcc 0
70 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 6.43754 8.17891 11.004 7.1372 numMergedOcc 0
71 mol 227 unq 2 iso 1 dist 7.56888 7.22101 10.8658 8.03442 6.10296 10.5813 6.43754 11.004 8.17891 7.1372 numMergedOcc 0
72 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 6.43754 8.17891 12.8864 7.1372 numMergedOcc 0
73 mol 227 unq 3 iso 1 dist 7.55216 7.22101 12.4689 8.03442 9.69537 10.5813 6.43754 12.8864 8.17891 7.1372 numMergedOcc 0
74 mol 227 unq 2 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 6.43754 6.95902 11.004 7.1372 numMergedOcc 0
75 mol 227 unq 2 iso 1 dist 7.56888 8.65997 9.70012 8.03442 6.10296 7.22396 6.43754 11.004 6.95902 7.1372 numMergedOcc 0
76 mol 227 unq 3 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 6.43754 6.95902 12.8864 7.1372 numMergedOcc 0
77 mol 227 unq 3 iso 1 dist 7.55216 8.65997 12.9332 8.03442 9.69537 7.22396 6.43754 12.8864 6.95902 7.1372 numMergedOcc 0
78 mol 227 unq 3 iso 0 dist 7.56888 7.55216 4.48529 8.03442 6.10296 9.69537 6.43754 11.004 12.8864 7.1372 numMergedOcc 0
79 mol 227 unq 3 iso 1 dist 7.55216 7.56888 4.48529 8.03442 9.69537 6.10296 6.43754 12.8864 11.004 7.1372 numMergedOcc 0
80 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.64181 10.216 7.83352 10.4664 10.5202 6.55759 8.6597 numMergedOcc 0
81 mol 238 unq 0 iso 1 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 10.4664 6.55759 10.5202 8.6597 numMergedOcc 0
82 mol 238 unq 1 iso 0 dist 6.22714 7.31233 5.34096 5.64181 10.216 7.83352 11.2717 12.1784 7.02475 7.47235 numMergedOcc 0
83 mol 238 unq 1 iso 1 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 11.2717 7.02475 12.1784 7.47235 numMergedOcc 0
84 mol 238 unq 2 iso 0 dist 6.22714 7.31233 5.34096 5.64181 10.216 7.83352 5.17471 7.49471 7.19008 6.44735 numMergedOcc 0
85 mol 238 unq 2 iso 1 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 5.17471 7.19008 7.49471 6.44735 numMergedOcc 0
86 mol 238 unq 3 iso 0 dist 6.22714 7.31233 5.34096 5.64181 10.216 7.83352 5.03393 10.9946 11.3465 5.91208 numMergedOcc 0
87 mol 238 unq 3 iso 1 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 5.03393 11.3465 10.9946 5.91208 numMergedOcc 0
88 mol 252 unq 0 iso 0 dist 8.1148 8.1715 8.41807 6.11473 9.32326 5.72783 4.23801 7.66365 10.165 6.57207 numMergedOcc 0
89 mol 252 unq 0 iso 1 dist 8.1715 8.1148 8.41807 6.11473 5.72783 9.32326 4.23801 10.165 7.66365 6.57207 numMergedOcc 0
90 mol 252 unq 1 iso 0 dist 8.1148 8.1715 8.41807 8.47784 5.89666 10.672 4.23801 7.66365 10.165 5.2361 numMergedOcc 0
91 mol 252 unq 1 iso 1 dist 8.1715 8.1148 8.41807 8.47784 10.672 5.89666 4.23801 10.165 7.66365 5.2361 numMergedOcc 0
92 mol 252 unq 2 iso 0 dist 8.1148 8.1715 8.41807 8.47784 5.89666 10.672 13.6996 10.765 15.0802 5.57515 numMergedOcc 0
93 mol 252 unq 2 iso 1 dist 8.1715 8.1148 8.41807 8.47784 10.672 5.89666 13.6996 15.0802 10.765 5.57515 numMergedOcc 0
94 mol 252 unq 3 iso 0 dist 8.1148 8.1715 8.41807 8.47784 5.89666 10.672 15.4395 13.5038 18.7608 8.28694 numMergedOcc 0
95 mol 252 unq 3 iso 1 dist 8.1715 8.1148 8.41807 8.47784 10.672 5.89666 15.4395 18.7608 13.5038 8.28694 numMergedOcc 0
96 mol 272 unq 0 iso 0 dist 8.33638 8.46116 5.40809 8.46061 8.7909 4.86504 8.52877 10.1966 6.16449 7.55161 numMergedOcc 0
97 mol 272 unq 0 iso 1 dist 8.46116 8.33638 5.40809 8.46061 4.86504 8.7909 8.52877 6.16449 10.1966 7.55161 numMergedOcc 0
