0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 12.0193 5.99972 10.6471 10.2446 7.88043 7.45262 7.25346 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 12.0193 5.99972 10.6471 12.3097 8.80762 6.96586 10.0658 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 13.8829 8.72114 13.6379 5.44992 5.72491 9.55056 10.1959 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 7.31201 10.789 13.8829 8.72114 13.6379 4.74523 9.67579 7.57354 13.9514 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 5.44992 5.72491 7.45262 10.1959 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 4.74523 9.67579 6.96586 13.9514 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 9.5997 9.62394 9.57198 3.98483 9.78006 8.04924 7.28672 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 6.66749 9.41441 13.2857 6.00575 6.60423 8.62284 11.9395 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 6.89191 10.5365 7.93481 13.9844 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 11.0355 10.5365 7.93481 13.9844 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 11.9834 16.5181 7.93481 16.8777 numMergedOcc 0
11 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 11.4997 9.81166 13.1026 9.12189 12.5982 9.48876 7.46185 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.29301 9.82915 10.0297 4.18004 10.7271 8.87194 9.16969 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 13.5116 9.82915 10.0297 8.42713 10.7271 8.87194 9.16969 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 6.19965 9.47876 11.6116 8.09967 7.54568 11.8261 4.18004 10.255 8.87194 10.4035 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 7.66905 7.22293 11.6116 4.65335 7.54568 11.8261 8.42713 10.255 8.87194 10.4035 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 5.73196 7.22293 6.47779 4.65335 9.39864 11.8261 8.42713 12.6146 8.87194 10.4035 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 5.7134 12.3604 9.28578 12.1199 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 12.7565 7.38677 10.8154 5.7134 12.3604 9.28578 15.5524 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 10.7874 12.3604 9.28578 12.1199 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 6.82344 9.70512 6.99832 5.91004 7.38677 10.8154 10.7874 12.3604 9.28578 15.5524 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 12.7179 17.7572 9.05798 15.6126 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 4.91132 8.56342 5.85818 6.96805 numMergedOcc 0
23 mol 119 unq 2 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 12.7179 17.7572 9.05798 21.8898 numMergedOcc 0
24 mol 119 unq 3 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 4.91132 8.56342 5.85818 13.3975 numMergedOcc 0
25 mol 119 unq 4 iso 0 dist 9.87172 6.19042 6.35763 10.9441 9.11344 11.1099 7.61939 7.99857 9.87025 6.96805 numMergedOcc 0
26 mol 119 unq 5 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 9.15779 15.5802 9.05798 15.6126 numMergedOcc 0
27 mol 119 unq 6 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 7.61939 7.99857 5.85818 6.96805 numMergedOcc 0
28 mol 119 unq 7 iso 0 dist 6.18601 8.43904 10.3457 10.4376 8.00003 16.109 10.326 14.6439 9.87025 15.7587 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 8.6769 12.2715 9.4062 20.9348 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 5.92062 9.22661 6.51868 8.6769 12.2715 9.4062 4.35684 numMergedOcc 0
31 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 6.61891 7.56378 7.34698 8.6769 12.2715 9.4062 11.668 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 9.81073 8.90963 13.6646 5.93488 6.51749 7.345 13.0913 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 9.81073 8.90963 15.9219 5.93488 6.51749 9.52987 13.0913 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 7.20191 9.39829 13.5221 9.92777 14.3453 5.49808 15.5119 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 7.20191 9.39829 14.5372 9.92777 14.3453 7.96291 15.5119 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 7.63312 7.98142 9.60512 5.63555 5.9176 5.97685 9.92777 11.6558 5.49808 6.12563 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 7.63312 7.98142 9.60512 7.20191 6.41453 13.5221 9.92777 11.6558 5.49808 15.5119 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 7.63312 7.37327 13.3389 5.63555 5.9176 8.9289 9.92777 11.6558 7.96291 6.12563 numMergedOcc 0
39 mol 181 unq 7 iso 0 dist 7.63312 7.37327 13.3389 7.20191 6.41453 14.5372 9.92777 11.6558 7.96291 15.5119 numMergedOcc 0
40 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 8.49529 8.77999 7.33225 7.0057 7.24199 8.53433 3.86183 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 7.26832 9.19704 6.23291 10.3603 5.44002 10.5073 5.54129 10.0424 9.83885 11.842 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 10.3603 5.44002 10.5073 5.28092 5.60393 5.42696 8.46033 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 6.35849 7.43071 12.2922 10.5813 8.03442 7.1372 12.8075 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 10.9607 5.41321 7.57454 10.5813 8.03442 7.1372 4.59123 numMergedOcc 0
45 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 10.204 7.43071 12.2922 7.22396 8.03442 7.1372 12.8075 numMergedOcc 0
46 mol 227 unq 3 iso 0 dist 8.65997 6.95902 6.43754 9.72615 5.41321 7.57454 7.22396 8.03442 7.1372 4.59123 numMergedOcc 0
47 mol 227 unq 4 iso 0 dist 7.09863 8.17891 9.13836 6.35849 6.02296 12.2922 10.5813 12.2278 7.1372 12.8075 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 8.81835 7.98231 8.71497 5.60748 10.5803 6.39918 6.31909 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 8.81835 7.08526 8.71497 5.60748 8.55558 6.39918 6.31909 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 6.24356 9.5784 9.67998 7.52936 5.93616 7.34094 8.45726 11.0622 6.5422 6.67381 numMergedOcc 0
