0 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 9.49077 9.83618 13.5377 13.7177 10.4442 5.07458 10.0168 6.66407 10.9975 10.8828 14.3756 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 13.1021 9.73139 15.9764 10.9482 5.24906 5.61579 13.1897 5.38524 8.69057 15.561 16.9237 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 6.75888 6.31428 10.335 6.40841 5.11205 5.61579 13.1897 5.38524 8.69057 15.561 11.0945 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 13.1021 9.73139 10.9482 15.9764 5.24906 5.61579 13.1897 8.69057 5.38524 15.561 16.9237 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 6.75888 6.31428 6.40841 10.335 5.11205 5.61579 13.1897 8.69057 5.38524 15.561 11.0945 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 7.41074 8.70133 4.65521 15.9587 13.4082 6.20232 12.2276 8.68662 13.8931 18.7673 6.10063 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 7.41074 8.70133 4.65521 15.9587 13.4082 5.70116 9.73086 7.4369 12.8207 17.4121 6.15714 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 7.41074 8.70133 4.65521 15.9587 15.9882 6.20232 12.2276 8.68662 13.8931 17.2422 6.10063 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 7.41074 8.70133 4.65521 15.9587 15.9882 5.70116 9.73086 7.4369 12.8207 14.844 6.15714 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 7.41074 8.70133 15.9587 4.65521 13.4082 11.2069 13.3207 5.5087 13.8368 19.0013 17.2861 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 7.41074 8.70133 15.9587 4.65521 13.4082 10.6713 14.498 6.08682 14.5999 21.9204 16.8311 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 7.41074 8.70133 15.9587 4.65521 15.9882 11.2069 13.3207 5.5087 13.8368 6.19168 17.2861 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 7.41074 8.70133 15.9587 4.65521 15.9882 10.6713 14.498 6.08682 14.5999 10.532 16.8311 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 10.1589 8.72704 10.5193 15.8984 7.2495 6.23008 9.76432 8.91882 11.5088 5.16579 6.13211 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 10.1589 8.72704 10.5193 15.8984 15.9331 6.23008 9.76432 8.91882 11.5088 14.4607 6.13211 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 10.1589 8.72704 10.5193 14.8726 7.2495 6.23008 9.76432 8.91882 11.6812 5.16579 6.13211 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 10.1589 8.72704 10.5193 14.8726 15.9331 6.23008 9.76432 8.91882 11.6812 14.4607 6.13211 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69052 9.33865 13.8473 6.11741 10.9739 7.76729 17.6696 12.9821 10.7942 5.03039 10.5599 6.04595 11.8378 11.1447 15.1254 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69052 6.11741 13.8473 9.33865 11.7126 6.99777 11.695 13.9977 10.8292 5.03039 11.8378 6.04595 10.5599 11.1447 13.2709 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69052 6.11741 13.8473 9.33865 4.62962 9.14376 10.0603 9.65429 6.12943 5.03039 11.8378 6.04595 10.5599 11.1447 5.53947 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 11.7126 6.99777 13.9977 11.695 10.8292 6.01673 10.0255 6.24825 13.22 6.95773 15.7303 numMergedOcc 0
21 mol 115 unq 4 iso 0 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 4.62962 9.14376 9.65429 10.0603 6.12943 6.01673 10.0255 6.24825 13.22 6.95773 6.70178 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 13.1058 9.84395 16.5575 17.163 4.91401 6.62561 7.63616 10.6107 11.3679 3.55765 10.4223 8.19331 8.85711 15.7476 5.56883 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 13.1058 9.84395 17.163 16.5575 4.91401 6.62561 10.6107 7.63616 11.3679 3.55765 10.4223 8.85711 8.19331 15.7476 5.56883 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 5.41704 8.79571 5.42582 8.6355 6.17103 6.95573 13.9752 9.33924 9.55584 10.2026 6.0991 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 5.41704 8.79571 5.42582 8.6355 6.17103 8.06642 7.21868 7.93372 11.988 4.00092 5.67107 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 5.41704 5.42582 8.79571 8.6355 6.17103 8.06642 7.93372 7.21868 11.988 4.00092 5.67107 numMergedOcc 0
27 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 5.41704 8.6355 8.79571 5.42582 10.1448 8.06642 11.988 7.21868 7.93372 12.847 5.67107 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 5.41704 8.6355 5.42582 8.79571 10.1448 6.95573 9.55584 9.33924 13.9752 9.45357 6.0991 numMergedOcc 0
29 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 5.41704 8.6355 5.42582 8.79571 10.1448 8.06642 11.988 7.93372 7.21868 12.847 5.67107 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 5.4601 7.20046 10.2276 11.968 6.14208 12.9532 13.2783 9.76212 18.2853 12.7791 9.37649 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 10.0524 7.13543 10.7636 11.8099 5.95965 12.9532 13.2783 9.76212 18.2853 12.7791 9.04392 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 5.29877 6.65984 10.667 6.67585 6.12232 7.05804 8.79428 6.8692 13.2325 5.76843 10.9705 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.0744 6.57273 10.103 5.78342 6.12232 6.65984 11.0097 10.667 5.29877 5.76843 8.79428 6.99769 6.8692 7.05804 10.9705 numMergedOcc 0
34 mol 224 unq 2 iso 0 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.0744 6.57273 5.78342 10.103 6.12232 6.65984 10.667 11.0097 5.29877 5.76843 8.79428 6.8692 6.99769 7.05804 10.9705 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 4.39704 7.09863 10.8157 10.4905 6.43754 8.17891 6.95902 12.4085 9.13836 5.0317 5.23634 6.91318 10.7855 5.83175 4.09934 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 4.39704 7.09863 10.8157 11.0431 6.43754 8.17891 6.95902 11.004 9.13836 5.0317 5.23634 6.91318 11.2661 5.83175 4.09934 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 4.39704 7.09863 10.8157 10.0334 6.43754 8.17891 6.95902 12.8864 9.13836 5.0317 5.23634 6.91318 12.3663 5.83175 4.09934 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 9.37715 7.66365 14.7097 10.165 4.23801 7.40852 13.1298 7.15764 10.5687 5.6214 9.43777 numMergedOcc 0
