0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 14.7292 12.8924 19.0615 8.94096 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 10.2611 4.85329 12.9498 9.07858 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.63133 6.31718 10.8455 10.454 6.56335 15.6697 13.0191 6.73355 16.9205 7.40724 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.97304 6.60423 9.0934 12.4274 5.39241 7.84982 8.62284 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.60462 7.45389 7.05226 17.3924 9.92283 14.242 17.7547 8.57646 12.5263 7.82011 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.83991 9.33865 7.69052 6.4497 5.72642 10.9734 13.9977 11.7126 10.8292 9.9928 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 7.88312 6.11741 7.69052 7.3094 5.72642 10.9734 6.99777 11.7126 10.8292 9.9928 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 11.0153 4.89973 9.0479 9.39683 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 11.0153 4.89973 7.00551 9.39683 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 11.0153 7.00551 9.0479 9.39683 numMergedOcc 0
10 mol 131 unq 3 iso 0 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 11.0153 7.00551 4.89973 9.39683 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 6.44255 9.43259 11.1392 13.0488 13.2847 14.42 6.87906 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 6.44255 9.43259 11.1392 10.0526 5.97294 6.53729 7.94975 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 8.34702 9.06726 6.31306 6.44255 9.43259 11.1392 14.6135 16.5051 18.9494 8.49473 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 8.34702 9.06726 6.31306 6.44255 9.43259 11.1392 9.38246 13.6496 10.1617 9.39865 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 8.34702 9.06726 6.31306 5.82636 6.2319 9.97732 13.0488 13.2847 14.42 9.54367 numMergedOcc 0
16 mol 156 unq 5 iso 0 dist 8.34702 9.06726 6.31306 5.82636 6.2319 9.97732 10.0526 5.97294 6.53729 7.26859 numMergedOcc 0
17 mol 156 unq 6 iso 0 dist 8.34702 8.33171 6.56229 6.44255 9.43259 12.8935 13.0488 13.2847 17.9511 6.87906 numMergedOcc 0
18 mol 156 unq 7 iso 0 dist 8.34702 8.33171 6.56229 6.44255 9.43259 12.8935 10.0526 5.97294 10.5742 7.94975 numMergedOcc 0
19 mol 156 unq 8 iso 0 dist 8.34702 8.33171 6.56229 6.44255 9.43259 12.8935 14.6135 16.5051 21.1652 8.49473 numMergedOcc 0
20 mol 156 unq 9 iso 0 dist 8.34702 8.33171 6.56229 6.44255 9.43259 12.8935 9.38246 13.6496 13.4191 9.39865 numMergedOcc 0
21 mol 156 unq 10 iso 0 dist 8.34702 8.33171 6.56229 5.82636 6.2319 10.5243 13.0488 13.2847 17.9511 9.54367 numMergedOcc 0
22 mol 156 unq 11 iso 0 dist 8.34702 8.33171 6.56229 5.82636 6.2319 10.5243 10.0526 5.97294 10.5742 7.26859 numMergedOcc 0
23 mol 156 unq 12 iso 0 dist 9.06726 8.34702 6.31306 5.82636 9.97732 6.2319 13.0488 14.42 13.2847 9.54367 numMergedOcc 0
24 mol 156 unq 13 iso 0 dist 9.06726 8.34702 6.31306 5.82636 9.97732 6.2319 10.0526 6.53729 5.97294 7.26859 numMergedOcc 0
25 mol 156 unq 14 iso 0 dist 9.06726 8.33171 5.64555 5.82636 9.97732 10.5243 13.0488 14.42 17.9511 9.54367 numMergedOcc 0
26 mol 156 unq 15 iso 0 dist 9.06726 8.33171 5.64555 5.82636 9.97732 10.5243 10.0526 6.53729 10.5742 7.26859 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 13.8722 6.51749 15.2991 10.2276 5.4601 10.7112 7.345 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 13.8722 6.51749 15.2991 10.7636 10.0524 7.07409 9.52987 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 5.93488 6.51749 7.20392 7.20046 5.4601 6.14208 7.345 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 5.98885 9.09537 10.1912 5.93488 6.51749 7.20392 7.13543 10.0524 5.95965 9.52987 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 9.09537 5.98885 10.1912 5.93488 7.20392 6.51749 7.20046 6.14208 5.4601 7.345 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 9.09537 5.98885 10.1912 5.93488 7.20392 6.51749 7.13543 5.95965 10.0524 9.52987 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 5.28092 8.44861 5.60393 9.19704 8.66809 6.23291 5.42696 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 5.28092 8.44861 11.3521 9.19704 8.66809 13.231 5.42696 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 7.26832 6.03031 7.38516 5.28092 5.60393 8.44861 9.19704 6.23291 8.66809 5.42696 numMergedOcc 0
36 mol 205 unq 3 iso 0 dist 7.26832 7.80463 13.8543 5.28092 5.60393 11.3521 9.19704 6.23291 13.231 5.42696 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 10.5813 8.03442 12.2278 8.17891 6.43754 9.13836 7.1372 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 11.0628 8.38865 12.9778 12.9493 9.60993 8.24079 9.20589 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 11.0628 8.38865 12.9778 12.3856 13.3557 14.7498 7.89801 numMergedOcc 0
40 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 11.0628 8.38865 5.4694 12.9493 9.60993 5.34702 9.20589 numMergedOcc 0
41 mol 227 unq 4 iso 0 dist 7.22101 8.65997 5.22356 11.0628 8.38865 5.4694 12.3856 13.3557 8.8709 7.89801 numMergedOcc 0
42 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 11.0628 8.38865 13.9676 12.9493 9.60993 10.7187 9.20589 numMergedOcc 0
43 mol 227 unq 6 iso 0 dist 7.22101 7.56888 10.8658 11.0628 8.38865 13.9676 12.3856 13.3557 12.0094 7.89801 numMergedOcc 0
44 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 11.0628 8.38865 16.9219 12.9493 9.60993 14.8031 9.20589 numMergedOcc 0
45 mol 227 unq 8 iso 0 dist 7.22101 7.55216 12.4689 11.0628 8.38865 16.9219 12.3856 13.3557 15.5877 7.89801 numMergedOcc 0
46 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 11.0628 5.4694 12.9778 12.9493 5.34702 8.24079 9.20589 numMergedOcc 0
47 mol 227 unq 10 iso 0 dist 8.65997 9.34734 7.60506 11.0628 5.4694 12.9778 12.3856 8.8709 14.7498 7.89801 numMergedOcc 0
48 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 11.0628 5.4694 8.38865 12.9493 5.34702 9.60993 9.20589 numMergedOcc 0
49 mol 227 unq 12 iso 0 dist 8.65997 7.22101 5.22356 11.0628 5.4694 8.38865 12.3856 8.8709 13.3557 7.89801 numMergedOcc 0
50 mol 227 unq 13 iso 0 dist 8.65997 7.56888 9.70012 11.0628 5.4694 13.9676 12.9493 5.34702 10.7187 9.20589 numMergedOcc 0
51 mol 227 unq 14 iso 0 dist 8.65997 7.56888 9.70012 11.0628 5.4694 13.9676 12.3856 8.8709 12.0094 7.89801 numMergedOcc 0
52 mol 227 unq 15 iso 0 dist 8.65997 7.55216 12.9332 11.0628 5.4694 16.9219 12.9493 5.34702 14.8031 9.20589 numMergedOcc 0
53 mol 227 unq 16 iso 0 dist 8.65997 7.55216 12.9332 11.0628 5.4694 16.9219 12.3856 8.8709 15.5877 7.89801 numMergedOcc 0
54 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 5.99459 6.17052 9.77666 6.07192 6.48757 5.51827 8.53148 numMergedOcc 0
55 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 5.99459 6.17052 13.0539 6.07192 6.48757 9.29921 8.53148 numMergedOcc 0
56 mol 248 unq 2 iso 0 dist 7.21521 7.69895 5.55137 5.99459 9.77666 6.17052 6.07192 5.51827 6.48757 8.53148 numMergedOcc 0
57 mol 248 unq 3 iso 0 dist 7.21521 8.2965 5.86196 5.99459 9.77666 13.0539 6.07192 5.51827 9.29921 8.53148 numMergedOcc 0
58 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 9.32326 6.11473 10.7615 7.66365 4.23801 9.37715 6.57207 numMergedOcc 0
59 mol 252 unq 1 iso 0 dist 8.1148 8.33025 6.0987 5.89666 8.47784 12.0482 7.66365 4.23801 9.37715 5.2361 numMergedOcc 0
60 mol 252 unq 2 iso 0 dist 8.1148 8.33025 6.0987 5.89666 8.47784 12.0482 10.765 13.6996 17.6204 5.57515 numMergedOcc 0
61 mol 252 unq 3 iso 0 dist 8.1148 8.33025 6.0987 5.89666 8.47784 12.0482 13.5038 15.4395 19.4496 8.28694 numMergedOcc 0
62 mol 252 unq 4 iso 0 dist 8.1715 9.2288 6.0987 5.72783 6.11473 10.7615 10.165 4.23801 9.37715 6.57207 numMergedOcc 0
63 mol 252 unq 5 iso 0 dist 8.1715 9.2288 6.0987 10.672 8.47784 12.0482 10.165 4.23801 9.37715 5.2361 numMergedOcc 0
64 mol 252 unq 6 iso 0 dist 8.1715 9.2288 6.0987 10.672 8.47784 12.0482 15.0802 13.6996 17.6204 5.57515 numMergedOcc 0
65 mol 252 unq 7 iso 0 dist 8.1715 9.2288 6.0987 10.672 8.47784 12.0482 18.7608 15.4395 19.4496 8.28694 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 5.60748 8.55558 10.5803 7.48005 5.79468 11.6195 6.39918 numMergedOcc 0
67 mol 259 unq 1 iso 0 dist 7.46176 7.84554 7.64658 5.60748 8.55558 12.4037 7.48005 5.79468 11.8736 6.39918 numMergedOcc 0
68 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 5.60748 8.55558 14.4498 7.48005 5.79468 12.6649 6.39918 numMergedOcc 0
69 mol 261 unq 0 iso 0 dist 9.14619 8.45658 7.00201 6.04016 5.26434 8.60026 7.47164 7.49174 5.22253 9.24121 numMergedOcc 0
70 mol 261 unq 1 iso 0 dist 8.45658 9.14619 7.00201 6.04016 8.60026 5.26434 7.47164 5.22253 7.49174 9.24121 numMergedOcc 0
71 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 4.86504 9.64269 8.46061 6.16449 4.72202 8.52877 7.55161 numMergedOcc 0
72 mol 272 unq 1 iso 0 dist 8.46116 9.97651 8.12676 4.86504 8.46061 9.64269 6.16449 8.52877 4.72202 7.55161 numMergedOcc 0
