0 mol 14 unq 0 iso 0 dist 8.82819 6.03847 9.7022 5.36937 5.53425 9.58196 5.99703 5.67201 9.04767 4.53725 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 8.82819 6.03847 9.7022 5.99703 5.67201 9.04767 5.36937 5.53425 9.58196 4.53725 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 5.36937 6.03847 9.58196 8.82819 5.53425 9.7022 5.99703 4.53725 9.04767 5.67201 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 5.36937 6.03847 9.58196 5.99703 4.53725 9.04767 8.82819 5.53425 9.7022 5.67201 numMergedOcc 0
4 mol 14 unq 2 iso 0 dist 7.73217 4.75873 9.04767 10.9341 5.67201 9.7022 9.95397 4.53725 9.58196 5.53425 numMergedOcc 0
5 mol 14 unq 2 iso 1 dist 7.73217 4.75873 9.04767 9.95397 4.53725 9.58196 10.9341 5.67201 9.7022 5.53425 numMergedOcc 0
6 mol 14 unq 3 iso 0 dist 5.99703 6.03847 9.04767 8.82819 5.67201 9.7022 5.36937 4.53725 9.58196 5.53425 numMergedOcc 0
7 mol 14 unq 3 iso 1 dist 5.99703 6.03847 9.04767 5.36937 4.53725 9.58196 8.82819 5.67201 9.7022 5.53425 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 16.7413 10.3915 7.82074 5.03957 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 6.41045 13.3276 8.4674 16.7413 10.3915 7.82074 13.3505 7.67038 4.54938 5.03957 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 12.7352 5.06502 5.73819 10.5813 6.45462 8.93915 5.89973 numMergedOcc 0
11 mol 43 unq 0 iso 1 dist 8.03754 13.1056 6.20293 10.5813 6.45462 8.93915 12.7352 5.06502 5.73819 5.89973 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 9.47348 9.92508 8.93915 12.0317 5.89973 5.73819 12.0919 6.45462 6.20293 5.06502 numMergedOcc 0
13 mol 43 unq 1 iso 1 dist 9.47348 9.92508 8.93915 12.0919 6.45462 6.20293 12.0317 5.89973 5.73819 5.06502 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 7.15352 4.80738 6.43294 12.4311 10.1562 8.33063 11.7612 5.67502 8.7531 7.29309 numMergedOcc 0
15 mol 60 unq 0 iso 1 dist 7.15352 4.80738 6.43294 11.7612 5.67502 8.7531 12.4311 10.1562 8.33063 7.29309 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.8693 15.7123 9.38498 10.5158 12.016 9.75218 13.7412 numMergedOcc 0
17 mol 73 unq 0 iso 1 dist 7.23812 12.8453 9.96396 10.5158 12.016 9.75218 14.8693 15.7123 9.38498 13.7412 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.67557 15.3279 7.66905 14.3639 5.42586 7.47541 19.3849 10.1164 5.73196 6.87425 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 9.67557 15.3279 7.66905 19.3849 10.1164 5.73196 14.3639 5.42586 7.47541 6.87425 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 22.565 13.8105 8.83255 6.59319 numMergedOcc 0
21 mol 95 unq 0 iso 1 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 25.1398 16.6055 9.03572 6.59319 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 15.6365 10.1407 8.86688 9.71151 numMergedOcc 0
23 mol 100 unq 0 iso 1 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 14.2807 5.33144 6.45675 9.71151 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 12.4685 8.02349 7.88312 11.5723 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 9.26923 10.8507 7.30858 11.5723 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 15.4305 7.81217 6.80239 16.5229 11.965 8.00618 7.79672 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 8.97762 9.74121 6.29155 16.5229 11.965 8.00618 15.4305 7.81217 6.80239 7.79672 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 9.47554 9.67676 8.00618 15.8406 11.965 6.29155 13.9771 7.79672 6.80239 7.81217 numMergedOcc 0
29 mol 133 unq 1 iso 1 dist 9.47554 9.67676 8.00618 13.9771 7.79672 6.80239 15.8406 11.965 6.29155 7.81217 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 11.3169 5.00817 6.37586 5.49782 numMergedOcc 0
31 mol 134 unq 0 iso 1 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 15.1513 8.80819 8.94367 5.49782 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 11.0053 8.80819 6.49416 5.00817 numMergedOcc 0
33 mol 134 unq 1 iso 1 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 6.48328 5.49782 6.37586 5.00817 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 11.0053 5.00817 6.49416 8.80819 numMergedOcc 0
35 mol 134 unq 2 iso 1 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 9.16358 5.49782 8.94367 8.80819 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.7313 5.42328 5.87555 12.3711 6.4896 8.67331 5.54906 numMergedOcc 0
37 mol 152 unq 0 iso 1 dist 8.41774 13.793 6.70283 12.3711 6.4896 8.67331 13.7313 5.42328 5.87555 5.54906 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 8.41774 11.2124 7.16148 13.7313 5.42328 8.87437 12.3711 6.4896 8.05741 5.54906 numMergedOcc 0
39 mol 152 unq 1 iso 1 dist 8.41774 11.2124 7.16148 12.3711 6.4896 8.05741 13.7313 5.42328 8.87437 5.54906 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 9.80543 7.38516 6.03031 12.4766 13.8543 7.80463 8.18714 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 7.51951 5.04299 7.26832 12.4766 13.8543 7.80463 9.80543 7.38516 6.03031 8.18714 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 11.5265 4.70378 6.57273 14.8623 11.5372 5.78342 8.49799 numMergedOcc 0
43 mol 224 unq 0 iso 1 dist 7.49783 12.8561 8.95269 14.8623 11.5372 5.78342 11.5265 4.70378 6.57273 8.49799 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 8.80858 11.8641 9.16166 10.8126 5.0744 5.78342 13.3427 6.91102 5.81334 5.60236 numMergedOcc 0
45 mol 224 unq 1 iso 1 dist 8.80858 11.8641 9.16166 13.3427 6.91102 5.81334 10.8126 5.0744 5.78342 5.60236 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 14.9014 6.99063 9.34734 9.02226 5.22356 8.65997 7.60506 numMergedOcc 0
47 mol 227 unq 0 iso 1 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 14.9014 6.99063 9.34734 7.60506 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 14.9014 6.99063 9.34734 16.5135 10.8658 7.56888 7.43198 numMergedOcc 0
49 mol 227 unq 1 iso 1 dist 8.27093 10.9396 7.22101 16.5135 10.8658 7.56888 14.9014 6.99063 9.34734 7.43198 numMergedOcc 0
50 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 14.9014 6.99063 9.34734 18.1901 12.4689 7.55216 9.51866 numMergedOcc 0
51 mol 227 unq 2 iso 1 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 14.9014 6.99063 9.34734 9.51866 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 16.5135 10.8658 7.56888 9.70012 numMergedOcc 0
53 mol 227 unq 1 iso 1 dist 8.27093 10.9396 7.22101 16.5135 10.8658 7.56888 9.02226 5.22356 8.65997 9.70012 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 18.1901 12.4689 7.55216 12.9332 numMergedOcc 0
55 mol 227 unq 2 iso 1 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 9.02226 5.22356 8.65997 12.9332 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 16.5135 10.8658 7.56888 18.1901 12.4689 7.55216 4.48529 numMergedOcc 0
57 mol 227 unq 2 iso 1 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 16.5135 10.8658 7.56888 4.48529 numMergedOcc 0
58 mol 227 unq 3 iso 0 dist 9.02226 10.9396 8.65997 14.9014 7.60506 9.34734 8.27093 5.22356 7.22101 6.99063 numMergedOcc 0
59 mol 227 unq 3 iso 1 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 14.9014 7.60506 9.34734 6.99063 numMergedOcc 0
60 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 14.9014 7.60506 9.34734 16.5135 9.70012 7.56888 7.43198 numMergedOcc 0
61 mol 227 unq 4 iso 1 dist 9.02226 10.9396 8.65997 16.5135 9.70012 7.56888 14.9014 7.60506 9.34734 7.43198 numMergedOcc 0
62 mol 227 unq 5 iso 0 dist 9.02226 10.9396 8.65997 14.9014 7.60506 9.34734 18.1901 12.9332 7.55216 9.51866 numMergedOcc 0
63 mol 227 unq 5 iso 1 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 14.9014 7.60506 9.34734 9.51866 numMergedOcc 0
64 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 16.5135 9.70012 7.56888 10.8658 numMergedOcc 0
65 mol 227 unq 4 iso 1 dist 9.02226 10.9396 8.65997 16.5135 9.70012 7.56888 8.27093 5.22356 7.22101 10.8658 numMergedOcc 0
66 mol 227 unq 5 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 18.1901 12.9332 7.55216 12.4689 numMergedOcc 0
67 mol 227 unq 5 iso 1 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 8.27093 5.22356 7.22101 12.4689 numMergedOcc 0
68 mol 227 unq 5 iso 0 dist 9.02226 10.9396 8.65997 16.5135 9.70012 7.56888 18.1901 12.9332 7.55216 4.48529 numMergedOcc 0
69 mol 227 unq 5 iso 1 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 16.5135 9.70012 7.56888 4.48529 numMergedOcc 0
70 mol 227 unq 6 iso 0 dist 9.78611 9.775 7.55216 16.5049 9.51866 9.34734 15.8356 12.4689 7.22101 6.99063 numMergedOcc 0
71 mol 227 unq 6 iso 1 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 16.5049 9.51866 9.34734 6.99063 numMergedOcc 0
72 mol 227 unq 7 iso 0 dist 9.78611 9.775 7.55216 16.5049 9.51866 9.34734 18.3506 12.9332 8.65997 7.60506 numMergedOcc 0
73 mol 227 unq 7 iso 1 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 16.5049 9.51866 9.34734 7.60506 numMergedOcc 0
74 mol 227 unq 8 iso 0 dist 9.78611 9.775 7.55216 16.5049 9.51866 9.34734 13.4874 4.48529 7.56888 7.43198 numMergedOcc 0
75 mol 227 unq 8 iso 1 dist 9.78611 9.775 7.55216 13.4874 4.48529 7.56888 16.5049 9.51866 9.34734 7.43198 numMergedOcc 0
76 mol 227 unq 7 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 18.3506 12.9332 8.65997 5.22356 numMergedOcc 0
77 mol 227 unq 7 iso 1 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 15.8356 12.4689 7.22101 5.22356 numMergedOcc 0
78 mol 227 unq 8 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 13.4874 4.48529 7.56888 10.8658 numMergedOcc 0
79 mol 227 unq 8 iso 1 dist 9.78611 9.775 7.55216 13.4874 4.48529 7.56888 15.8356 12.4689 7.22101 10.8658 numMergedOcc 0
80 mol 227 unq 8 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 13.4874 4.48529 7.56888 9.70012 numMergedOcc 0
81 mol 227 unq 8 iso 1 dist 9.78611 9.775 7.55216 13.4874 4.48529 7.56888 18.3506 12.9332 8.65997 9.70012 numMergedOcc 0
82 mol 236 unq 0 iso 0 dist 6.61371 5.03564 6.84306 10.4172 5.79505 8.03456 14.1598 11.3368 9.99038 9.90963 numMergedOcc 0
83 mol 236 unq 0 iso 1 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 10.4172 5.79505 8.03456 9.90963 numMergedOcc 0
84 mol 236 unq 1 iso 0 dist 6.61371 5.03564 6.84306 10.4172 5.79505 8.03456 13.7045 11.8739 9.78037 6.96005 numMergedOcc 0
85 mol 236 unq 1 iso 1 dist 6.61371 5.03564 6.84306 13.7045 11.8739 9.78037 10.4172 5.79505 8.03456 6.96005 numMergedOcc 0
86 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 10.4172 5.79505 8.03456 12.4813 14.7998 8.35971 14.2337 numMergedOcc 0
87 mol 236 unq 2 iso 1 dist 6.61371 5.03564 6.84306 12.4813 14.7998 8.35971 10.4172 5.79505 8.03456 14.2337 numMergedOcc 0
88 mol 236 unq 1 iso 0 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 13.7045 11.8739 9.78037 11.1557 numMergedOcc 0
89 mol 236 unq 1 iso 1 dist 6.61371 5.03564 6.84306 13.7045 11.8739 9.78037 14.1598 11.3368 9.99038 11.1557 numMergedOcc 0
90 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 12.4813 14.7998 8.35971 10.7497 numMergedOcc 0
91 mol 236 unq 2 iso 1 dist 6.61371 5.03564 6.84306 12.4813 14.7998 8.35971 14.1598 11.3368 9.99038 10.7497 numMergedOcc 0
92 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 13.7045 11.8739 9.78037 12.4813 14.7998 8.35971 12.0369 numMergedOcc 0
93 mol 236 unq 2 iso 1 dist 6.61371 5.03564 6.84306 12.4813 14.7998 8.35971 13.7045 11.8739 9.78037 12.0369 numMergedOcc 0
94 mol 236 unq 3 iso 0 dist 6.61371 9.63949 7.68742 10.4172 5.79505 9.81562 14.1598 11.3368 6.27581 9.90963 numMergedOcc 0
95 mol 236 unq 3 iso 1 dist 6.61371 9.63949 7.68742 14.1598 11.3368 6.27581 10.4172 5.79505 9.81562 9.90963 numMergedOcc 0
96 mol 236 unq 4 iso 0 dist 5.90804 13.6195 9.99038 11.8908 9.90963 8.03456 12.0498 11.3368 6.84306 5.79505 numMergedOcc 0
97 mol 236 unq 4 iso 1 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 11.8908 9.90963 8.03456 5.79505 numMergedOcc 0
98 mol 236 unq 5 iso 0 dist 5.90804 13.6195 9.99038 11.8908 9.90963 8.03456 15.4854 11.1557 9.78037 6.96005 numMergedOcc 0
99 mol 236 unq 5 iso 1 dist 5.90804 13.6195 9.99038 15.4854 11.1557 9.78037 11.8908 9.90963 8.03456 6.96005 numMergedOcc 0
100 mol 236 unq 6 iso 0 dist 5.90804 13.6195 9.99038 11.8908 9.90963 8.03456 16.1665 10.7497 8.35971 14.2337 numMergedOcc 0
101 mol 236 unq 6 iso 1 dist 5.90804 13.6195 9.99038 16.1665 10.7497 8.35971 11.8908 9.90963 8.03456 14.2337 numMergedOcc 0
102 mol 236 unq 5 iso 0 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 15.4854 11.1557 9.78037 11.8739 numMergedOcc 0
103 mol 236 unq 5 iso 1 dist 5.90804 13.6195 9.99038 15.4854 11.1557 9.78037 12.0498 11.3368 6.84306 11.8739 numMergedOcc 0
104 mol 236 unq 6 iso 0 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 16.1665 10.7497 8.35971 14.7998 numMergedOcc 0
105 mol 236 unq 6 iso 1 dist 5.90804 13.6195 9.99038 16.1665 10.7497 8.35971 12.0498 11.3368 6.84306 14.7998 numMergedOcc 0
106 mol 236 unq 6 iso 0 dist 5.90804 13.6195 9.99038 15.4854 11.1557 9.78037 16.1665 10.7497 8.35971 12.0369 numMergedOcc 0
107 mol 236 unq 6 iso 1 dist 5.90804 13.6195 9.99038 16.1665 10.7497 8.35971 15.4854 11.1557 9.78037 12.0369 numMergedOcc 0
108 mol 236 unq 7 iso 0 dist 5.90804 7.45579 6.27581 11.8908 9.90963 9.81562 12.0498 11.3368 7.68742 5.79505 numMergedOcc 0
109 mol 236 unq 7 iso 1 dist 5.90804 7.45579 6.27581 12.0498 11.3368 7.68742 11.8908 9.90963 9.81562 5.79505 numMergedOcc 0
110 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 13.6353 7.03728 6.92774 10.4633 8.05475 9.2983 8.55278 numMergedOcc 0
111 mol 273 unq 0 iso 1 dist 9.37841 9.71586 9.01049 10.4633 8.05475 9.2983 13.6353 7.03728 6.92774 8.55278 numMergedOcc 0
