0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 10.2446 7.88043 7.45262 5.03847 10.3148 9.97624 10.1959 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 12.3097 8.80762 6.96586 5.03847 10.3148 9.97624 13.9514 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 5.44992 5.72491 7.45262 13.8829 8.72114 9.97624 10.1959 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 4.74523 9.67579 6.96586 13.8829 8.72114 9.97624 13.9514 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 3.98483 9.78006 8.04924 9.5997 9.62394 9.57198 7.28672 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 6.89191 10.5365 7.93481 10.2049 8.80614 9.11258 13.9844 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 11.0355 10.5365 7.93481 5.49591 8.80614 9.11258 13.9844 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 6.64012 6.46761 5.24906 11.3547 12.7784 7.93481 5.85698 9.86039 9.11258 13.9844 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.4099 9.73139 5.24906 11.9834 12.7784 7.93481 12.2123 9.86039 9.11258 13.9844 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 9.55426 9.73139 13.1021 11.9834 16.5181 7.93481 12.2123 18.8985 9.11258 13.9844 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 5.7134 12.3604 9.28578 8.55834 10.5753 7.1539 7.75408 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 5.7134 12.3604 9.28578 9.50382 6.95572 5.39745 12.1199 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 6.82344 9.70512 6.99832 10.7874 12.3604 9.28578 7.76866 10.5753 7.1539 7.75408 numMergedOcc 0
13 mol 92 unq 3 iso 0 dist 6.82344 9.70512 6.99832 10.7874 12.3604 9.28578 7.56363 6.95572 5.39745 12.1199 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.11741 6.99777 10.8292 7.3094 10.9734 9.9928 5.22052 11.0224 5.60389 9.18958 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 7.88312 6.99777 11.7126 7.3094 5.72642 9.9928 5.22052 12.13 5.60389 9.18958 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 12.7179 17.7572 9.05798 15.5019 17.9198 7.26955 7.34151 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 4.91132 8.56342 5.85818 15.5019 17.9198 7.26955 11.7884 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 9.15779 15.5802 9.05798 10.314 14.2293 7.26955 7.34151 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 7.61939 7.99857 5.85818 10.314 14.2293 7.26955 11.7884 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 8.6769 12.2715 9.4062 5.92062 9.22661 6.51868 4.35684 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 8.6769 12.2715 9.4062 6.61891 7.56378 7.34698 11.668 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 8.00618 7.92688 12.2037 8.6769 15.7259 9.4062 5.92062 13.5028 6.51868 4.35684 numMergedOcc 0
23 mol 133 unq 3 iso 0 dist 8.00618 7.92688 12.2037 8.6769 15.7259 9.4062 6.61891 11.8433 7.34698 11.668 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.98885 7.13543 10.0524 5.93488 6.51749 9.52987 5.77299 10.6908 6.32777 11.1881 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.09537 7.13543 5.95965 5.93488 7.20392 9.52987 5.77299 11.3325 6.32777 11.1881 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 9.92777 14.3453 5.49808 5.63555 10.4943 5.97685 6.12563 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 9.92777 14.3453 7.96291 5.63555 10.4943 8.9289 6.12563 numMergedOcc 0
28 mol 181 unq 4 iso 0 dist 7.63312 7.98142 9.60512 9.92777 11.6558 5.49808 5.63555 5.9176 5.97685 6.12563 numMergedOcc 0
29 mol 181 unq 5 iso 0 dist 7.63312 7.37327 13.3389 9.92777 11.6558 7.96291 5.63555 5.9176 8.9289 6.12563 numMergedOcc 0
30 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 7.0057 7.24199 8.53433 8.49529 8.77999 7.33225 3.86183 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 10.5813 8.03442 7.1372 10.9607 5.41321 7.57454 4.59123 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 7.22396 8.03442 7.1372 9.72615 5.41321 7.57454 4.59123 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 7.09863 8.17891 9.13836 10.5813 12.2278 7.1372 10.9607 9.74265 7.57454 4.59123 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 15.0089 17.7022 9.31673 15.6327 16.5425 7.31773 5.92143 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 5.60748 10.5803 6.39918 8.81835 7.98231 8.71497 6.31909 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 5.60748 12.4037 6.39918 8.81835 11.6972 8.71497 6.31909 numMergedOcc 0
37 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 5.60748 8.55558 6.39918 8.81835 7.08526 8.71497 6.31909 numMergedOcc 0
38 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 7.31951 8.59697 6.39918 8.75685 10.4552 8.71497 6.31909 numMergedOcc 0
39 mol 259 unq 4 iso 0 dist 9.18903 7.48005 12.6649 5.60748 14.4498 6.39918 8.81835 15.8414 8.71497 6.31909 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 9.361 9.5784 9.85579 8.45726 13.6446 6.5422 7.52936 13.2142 7.34094 6.67381 numMergedOcc 0
41 mol 264 unq 1 iso 0 dist 6.24356 9.5784 9.67998 8.45726 11.0622 6.5422 7.52936 5.93616 7.34094 6.67381 numMergedOcc 0
