0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 11.0298 5.01101 15.1441 9.87867 6.42835 10.4366 6.93532 16.9082 11.7521 5.30082 5.94982 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 13.1897 5.61579 15.561 16.9237 5.38524 19.0104 14.2075 23.8495 24.2122 9.37804 9.02642 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 13.1897 5.61579 15.561 16.9237 8.69057 19.0104 14.2075 23.8495 24.2122 14.0374 9.02642 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 13.1897 5.61579 15.561 11.0945 5.38524 19.0104 14.2075 23.8495 18.9163 9.37804 9.02642 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 13.1897 5.61579 15.561 11.0945 8.69057 19.0104 14.2075 23.8495 18.9163 14.0374 9.02642 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 12.2276 6.20232 18.7673 6.10063 8.68662 5.11416 9.24757 13.8696 7.10439 6.56633 8.96616 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 9.73086 5.70116 17.4121 6.15714 7.4369 5.11416 9.24757 13.8696 7.10439 6.56633 6.14542 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 12.2276 6.20232 17.2422 6.10063 8.68662 5.11416 9.24757 13.0145 7.10439 6.56633 8.96616 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 9.73086 5.70116 14.844 6.15714 7.4369 5.11416 9.24757 13.0145 7.10439 6.56633 6.14542 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 9.76432 6.23008 5.16579 6.13211 8.91882 10.6245 9.5074 9.91958 6.0652 6.71012 6.55173 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 9.76432 6.23008 5.16579 6.13211 8.91882 12.2861 8.30845 10.6086 9.44658 5.80144 6.59691 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 9.76432 6.23008 14.4607 6.13211 8.91882 10.6245 9.5074 18.0561 6.0652 6.71012 6.55173 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 9.76432 6.23008 14.4607 6.13211 8.91882 12.2861 8.30845 18.1777 9.44658 5.80144 6.59691 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 7.21868 8.06642 4.00092 5.67107 7.93372 4.57832 6.23142 9.94764 8.73604 5.29786 9.0176 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 7.93372 8.06642 4.00092 5.67107 7.21868 5.29786 6.23142 9.94764 8.73604 4.57832 9.0176 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 11.988 8.06642 12.847 5.67107 7.21868 5.71679 6.23142 7.69991 8.73604 4.57832 9.0176 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 11.988 8.06642 12.847 5.67107 7.93372 5.71679 6.23142 7.69991 8.73604 5.29786 9.0176 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 7.21868 4.00092 8.06642 5.67107 7.93372 4.57832 9.94764 6.23142 8.73604 5.29786 9.0176 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 7.93372 4.00092 8.06642 5.67107 7.21868 5.29786 9.94764 6.23142 8.73604 4.57832 9.0176 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 8.88798 9.1374 15.0228 10.2276 13.2783 12.9532 12.7791 9.37649 9.76212 12.2164 12.4878 16.4314 11.913 4.43096 7.35884 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 8.88798 9.1374 15.0228 10.7636 13.2783 12.9532 12.7791 9.04392 9.76212 12.2164 12.4878 16.4314 11.5642 4.43096 7.35884 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 8.79428 7.05804 5.76843 10.9705 6.8692 7.38836 11.9653 10.8507 13.7546 10.6079 9.25617 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 8.79428 7.05804 5.76843 10.9705 6.8692 12.4832 14.5387 13.4196 17.8706 11.5752 9.05276 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 8.79428 5.76843 7.05804 10.9705 6.99769 7.38836 10.8507 11.9653 13.7546 5.91654 9.25617 numMergedOcc 0
24 mol 224 unq 3 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 8.79428 5.76843 7.05804 10.9705 6.99769 12.4832 13.4196 14.5387 17.8706 9.14278 9.05276 numMergedOcc 0
25 mol 224 unq 4 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 8.79428 5.76843 7.05804 10.9705 6.8692 7.38836 10.8507 11.9653 13.7546 10.6079 9.25617 numMergedOcc 0
26 mol 224 unq 5 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 8.79428 5.76843 7.05804 10.9705 6.8692 12.4832 13.4196 14.5387 17.8706 11.5752 9.05276 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 5.23634 5.0317 5.83175 4.09934 6.91318 6.35849 7.43071 6.02296 12.2922 10.204 9.18728 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 5.23634 5.0317 5.83175 4.09934 6.91318 10.9607 5.41321 9.74265 7.57454 9.72615 8.91971 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 11.6391 12.4252 14.898 10.5304 7.81215 13.8349 17.6227 18.7983 10.0212 10.0059 7.77911 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 5.88703 9.45496 6.7625 7.85175 11.6391 12.4252 5.75498 10.5304 7.81215 13.8349 17.6227 12.6238 10.0212 10.0059 7.77911 numMergedOcc 0
31 mol 234 unq 2 iso 0 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 11.6391 5.75498 14.898 10.5304 7.81215 13.8349 12.6238 18.7983 10.0212 10.0059 7.77911 numMergedOcc 0
32 mol 234 unq 3 iso 0 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 11.6391 5.75498 12.4252 10.5304 7.81215 13.8349 12.6238 17.6227 10.0212 10.0059 7.77911 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 14.9102 7.19638 10.5136 14.7097 13.1298 7.40852 5.6214 9.43777 7.15764 19.1145 11.0831 12.9597 16.7719 6.35641 8.09509 numMergedOcc 0
