0 mol 2 unq 0 iso 0 dist 9.9335 7.99162 11.2776 10.8368 6.15195 15.0494 6.38677 7.37296 9.58976 6.80804 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 9.9335 7.99162 11.2776 6.38677 7.37296 9.58976 10.8368 6.15195 15.0494 6.80804 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 6.22303 9.31285 6.39302 6.80703 9.84876 10.4062 5.13908 8.7041 10.7016 11.2643 numMergedOcc 0
3 mol 4 unq 0 iso 1 dist 6.22303 9.31285 6.39302 5.13908 8.7041 10.7016 6.80703 9.84876 10.4062 11.2643 numMergedOcc 0
4 mol 4 unq 1 iso 0 dist 6.22303 8.66947 6.8787 6.80703 9.84876 9.71908 5.13908 8.7041 13.0418 11.2643 numMergedOcc 0
5 mol 4 unq 1 iso 1 dist 6.22303 8.66947 6.8787 5.13908 8.7041 13.0418 6.80703 9.84876 9.71908 11.2643 numMergedOcc 0
6 mol 14 unq 0 iso 0 dist 6.3453 8.64855 11.0036 5.64699 8.19687 14.2327 7.37113 5.71901 14.5684 6.23746 numMergedOcc 0
7 mol 14 unq 0 iso 1 dist 6.3453 8.64855 11.0036 7.37113 5.71901 14.5684 5.64699 8.19687 14.2327 6.23746 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 6.97911 4.628 5.92705 8.0979 numMergedOcc 0
9 mol 61 unq 0 iso 1 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 5.25196 8.30431 9.62468 8.0979 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 9.16791 8.29727 8.77472 15.4318 7.09393 15.2649 11.6163 3.87167 12.3291 3.83043 numMergedOcc 0
11 mol 69 unq 0 iso 1 dist 9.16791 8.29727 8.77472 11.6163 3.87167 12.3291 15.4318 7.09393 15.2649 3.83043 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 12.3568 9.56884 12.9107 5.38868 8.67865 4.98104 14.4981 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 12.3568 9.56884 12.9107 14.4981 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 12.3568 9.56884 12.9107 5.80362 8.40148 10.7379 7.79762 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 8.98532 8.3558 5.1767 5.80362 8.40148 10.7379 12.3568 9.56884 12.9107 7.79762 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 5.80362 8.40148 10.7379 10.1168 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 8.98532 8.3558 5.1767 5.80362 8.40148 10.7379 5.38868 8.67865 4.98104 10.1168 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 6.7095 8.84131 7.49575 13.457 8.63522 12.8661 10.8385 5.43401 9.10229 3.9342 numMergedOcc 0
19 mol 102 unq 0 iso 1 dist 6.7095 8.84131 7.49575 10.8385 5.43401 9.10229 13.457 8.63522 12.8661 3.9342 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 5.67441 5.31281 7.25166 10.0602 8.9922 12.8848 5.67339 numMergedOcc 0
21 mol 114 unq 0 iso 1 dist 6.15949 6.99793 7.65733 10.0602 8.9922 12.8848 5.67441 5.31281 7.25166 5.67339 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 6.15949 6.71345 5.24877 5.67441 5.31281 8.42445 10.0602 8.9922 10.2889 5.67339 numMergedOcc 0
23 mol 114 unq 1 iso 1 dist 6.15949 6.71345 5.24877 10.0602 8.9922 10.2889 5.67441 5.31281 8.42445 5.67339 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 5.50567 6.25455 12.1615 6.1397 8.14441 8.0974 5.82281 numMergedOcc 0
25 mol 178 unq 0 iso 1 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 5.50567 6.25455 12.1615 5.82281 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 8.64546 6.94723 6.0971 12.2581 8.57733 13.96 16.0615 9.05509 15.1175 6.17591 numMergedOcc 0
27 mol 280 unq 0 iso 1 dist 8.64546 6.94723 6.0971 16.0615 9.05509 15.1175 12.2581 8.57733 13.96 6.17591 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 3.97964 6.52188 6.0971 8.4621 8.57733 13.96 10.5502 9.05509 15.1175 6.17591 numMergedOcc 0
29 mol 280 unq 1 iso 1 dist 3.97964 6.52188 6.0971 10.5502 9.05509 15.1175 8.4621 8.57733 13.96 6.17591 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.17214 8.33653 5.93692 14.6688 8.63954 13.8061 8.64319 4.74716 8.71213 6.55738 numMergedOcc 0
31 mol 285 unq 0 iso 1 dist 8.17214 8.33653 5.93692 8.64319 4.74716 8.71213 14.6688 8.63954 13.8061 6.55738 numMergedOcc 0
