0 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 6.92781 6.31718 5.47769 11.0298 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.05803 7.03948 6.2983 6.57331 4.65873 4.68733 6.92781 6.31718 5.47769 8.43054 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.31718 5.47769 6.2983 8.43054 4.65873 4.68733 6.92781 5.05803 7.03948 6.57331 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 7.63133 5.47769 5.94084 8.43054 9.81307 4.68733 5.32694 5.46498 6.58035 11.1513 numMergedOcc 0
4 mol 16 unq 4 iso 0 dist 7.63133 5.47769 5.94084 8.43054 9.81307 4.68733 10.4155 8.71745 12.1189 16.7405 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 7.2846 6.34173 4.71384 9.33906 6.42339 6.00679 5.24762 6.43774 7.06308 11.5679 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 5.47421 6.81627 10.335 5.38524 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 5.90225 9.55426 6.31428 13.1897 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.62496 9.64665 4.67832 9.22598 9.87158 8.59939 5.30792 6.86465 11.4118 13.3281 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 6.62496 9.64665 4.67832 9.22598 9.87158 8.59939 4.81926 6.35756 9.66798 8.96727 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 5.35073 6.86465 8.63333 13.3281 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 4.81926 6.62496 11.5023 9.22598 numMergedOcc 0
12 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 5.35073 6.86465 8.63333 11.5155 numMergedOcc 0
13 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 4.81926 6.62496 11.5023 9.55996 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 8.24309 9.78528 11.9814 6.21799 numMergedOcc 0
15 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 10.7394 8.8178 13.3133 13.6019 numMergedOcc 0
16 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 10.7394 8.8178 13.3133 18.0706 numMergedOcc 0
17 mol 72 unq 3 iso 0 dist 9.78528 9.02278 11.6894 6.21799 7.47371 5.5067 8.24309 9.96708 12.0903 7.12321 numMergedOcc 0
18 mol 72 unq 4 iso 0 dist 9.78528 9.02278 11.6894 5.03251 9.67587 4.01021 8.24309 9.96708 12.0903 9.35457 numMergedOcc 0
19 mol 72 unq 5 iso 0 dist 9.78528 9.02278 11.6894 7.66093 7.07356 6.40102 8.24309 9.96708 12.0903 12.1131 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 5.4148 6.19304 4.65521 7.4369 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 14.9342 8.70481 15.9587 12.8207 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.4148 9.96396 8.70133 12.2276 numMergedOcc 0
23 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 13.3558 8.70481 15.9587 13.8931 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.4148 9.96396 8.70133 9.73086 numMergedOcc 0
25 mol 73 unq 5 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 13.3558 8.70481 15.9587 12.8207 numMergedOcc 0
26 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 7.80898 12.1193 7.15936 5.57085 8.31336 10.6733 12.785 numMergedOcc 0
27 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 7.80898 12.1193 10.8763 5.57085 8.31336 8.69012 12.785 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 8.3773 4.46885 7.94489 8.95922 6.82344 9.70512 11.1432 numMergedOcc 0
29 mol 100 unq 0 iso 0 dist 7.47343 8.72704 10.1589 7.82475 5.9143 12.5061 8.8807 6.65086 10.5193 11.9928 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 7.82475 5.9143 12.5061 12.6515 6.56369 15.8984 10.694 numMergedOcc 0
31 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 7.82475 5.9143 12.5061 13.887 9.30209 14.8726 14.966 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 7.47343 8.72704 10.1589 5.35782 5.47563 12.1093 8.8807 6.65086 10.5193 9.94341 numMergedOcc 0
33 mol 100 unq 4 iso 0 dist 7.47343 8.72704 10.1589 5.35782 5.47563 12.1093 12.6515 6.56369 15.8984 9.82522 numMergedOcc 0
34 mol 100 unq 5 iso 0 dist 7.47343 8.72704 10.1589 5.35782 5.47563 12.1093 13.887 9.30209 14.8726 13.4844 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 7.69052 5.83991 8.66155 9.42082 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 9.33865 7.64585 10.2377 6.39384 6.63111 5.65471 7.69052 5.83991 12.2309 9.42082 numMergedOcc 0
37 mol 115 unq 2 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 8.02349 6.11741 12.9821 10.0255 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 5.83991 8.66155 6.09023 7.69765 4.48636 9.13361 7.69052 9.33865 9.66954 13.4105 numMergedOcc 0
39 mol 115 unq 4 iso 0 dist 5.83991 8.66155 6.09023 9.42082 6.63111 6.49835 7.69052 9.33865 9.66954 6.39384 numMergedOcc 0
40 mol 115 unq 5 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 10.8507 7.30858 17.6696 13.22 numMergedOcc 0
41 mol 115 unq 6 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 8.02349 7.88312 12.9821 10.0255 numMergedOcc 0
42 mol 115 unq 7 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 7.69052 7.88312 8.66155 9.42082 numMergedOcc 0
43 mol 115 unq 8 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 7.69052 7.88312 12.2309 9.42082 numMergedOcc 0
44 mol 115 unq 9 iso 0 dist 7.88312 8.66155 4.61908 7.69765 11.835 9.13361 7.69052 6.11741 9.66954 13.4105 numMergedOcc 0
45 mol 115 unq 10 iso 0 dist 7.88312 8.66155 4.61908 9.42082 6.07067 6.49835 7.69052 6.11741 9.66954 6.39384 numMergedOcc 0
46 mol 117 unq 0 iso 0 dist 7.90328 6.62561 4.91401 6.10127 10.5783 6.95589 7.22206 7.83136 7.63616 11.6387 numMergedOcc 0
47 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 6.10127 10.5783 6.95589 9.3584 7.0603 10.6107 14.762 numMergedOcc 0
48 mol 117 unq 2 iso 0 dist 7.83136 7.63616 4.91401 8.19331 3.55765 5.56883 7.22206 7.90328 6.62561 10.4223 numMergedOcc 0
49 mol 117 unq 3 iso 0 dist 7.83136 7.63616 4.91401 8.19331 3.55765 5.56883 7.21564 7.0603 10.6107 8.85711 numMergedOcc 0
50 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 6.08673 12.8087 12.2579 7.30196 8.14887 11.7714 12.1234 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 5.49782 6.37586 5.42582 7.93372 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 8.80819 6.49416 8.6355 11.988 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.49782 8.94367 8.79571 13.9752 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.00817 6.49416 8.6355 9.55584 numMergedOcc 0
55 mol 134 unq 4 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.49782 8.94367 8.79571 7.21868 numMergedOcc 0
56 mol 134 unq 5 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.00817 6.49416 8.6355 11.988 numMergedOcc 0
57 mol 134 unq 6 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 5.49782 9.71307 5.42582 7.93372 numMergedOcc 0
58 mol 134 unq 7 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.49782 9.86662 8.79571 13.9752 numMergedOcc 0
59 mol 134 unq 8 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.49782 9.86662 8.79571 7.21868 numMergedOcc 0
60 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 7.81207 4.67662 5.26247 5.32922 5.31024 9.07935 6.14151 numMergedOcc 0
61 mol 142 unq 1 iso 0 dist 9.2313 7.15475 9.49653 7.18002 13.5913 12.2806 5.32922 5.31024 9.07935 10.7696 numMergedOcc 0
62 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 5.32922 9.2313 7.15475 7.81207 numMergedOcc 0
63 mol 142 unq 3 iso 0 dist 7.73169 7.15475 7.53854 7.81207 5.81599 5.26247 5.32922 7.26382 9.07935 6.14151 numMergedOcc 0
64 mol 142 unq 4 iso 0 dist 7.73169 7.15475 7.53854 7.18002 9.99555 12.2806 5.32922 7.26382 9.07935 10.7696 numMergedOcc 0
65 mol 142 unq 5 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 5.32922 7.73169 7.15475 7.81207 numMergedOcc 0
66 mol 155 unq 0 iso 0 dist 7.46303 9.14392 6.3845 8.97626 9.16779 12.0485 5.71071 6.23493 7.16254 12.9034 numMergedOcc 0
67 mol 155 unq 1 iso 0 dist 7.46303 7.51198 5.86939 8.97626 9.16779 4.48516 5.71071 6.23493 9.86313 12.9034 numMergedOcc 0
68 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 9.78634 9.53265 10.3099 5.76246 7.00794 12.1647 12.8149 numMergedOcc 0
69 mol 192 unq 1 iso 0 dist 5.59424 8.36822 5.71262 5.64942 6.35474 10.1087 5.76246 7.00794 12.1647 6.97962 numMergedOcc 0
70 mol 192 unq 2 iso 0 dist 5.59424 8.36822 5.71262 7.43054 5.25965 10.0566 5.76246 7.00794 12.1647 6.79229 numMergedOcc 0
71 mol 224 unq 0 iso 0 dist 6.57273 6.65984 5.29877 8.79428 7.05804 10.9705 4.70378 8.95269 6.67585 13.2325 numMergedOcc 0
72 mol 224 unq 1 iso 0 dist 6.57273 6.65984 5.29877 8.79428 7.05804 10.9705 8.49799 5.78342 10.667 6.8692 numMergedOcc 0
73 mol 224 unq 2 iso 0 dist 6.60589 6.65984 6.12232 8.79428 5.76843 10.9705 6.77699 6.65832 11.0097 6.99769 numMergedOcc 0
74 mol 224 unq 3 iso 0 dist 6.60589 6.65984 6.12232 8.79428 5.76843 10.9705 8.49799 9.16166 10.667 6.8692 numMergedOcc 0
75 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 6.99063 9.34734 12.4085 10.7855 numMergedOcc 0
76 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 5.22356 8.65997 6.95902 6.91318 numMergedOcc 0
77 mol 227 unq 2 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 10.8658 7.56888 11.004 11.2661 numMergedOcc 0
78 mol 227 unq 3 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 12.4689 7.55216 12.8864 12.3663 numMergedOcc 0
79 mol 227 unq 4 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 7.60506 9.34734 17.0949 10.7855 numMergedOcc 0
80 mol 227 unq 5 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 5.22356 7.22101 13.4493 5.23634 numMergedOcc 0
81 mol 227 unq 6 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 9.70012 7.56888 16.5207 11.2661 numMergedOcc 0
82 mol 227 unq 7 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 12.9332 7.55216 19.8174 12.3663 numMergedOcc 0
83 mol 227 unq 8 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 7.60506 9.34734 12.4085 10.7855 numMergedOcc 0
84 mol 227 unq 9 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 5.22356 7.22101 8.17891 5.23634 numMergedOcc 0
85 mol 227 unq 10 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 9.70012 7.56888 11.004 11.2661 numMergedOcc 0
86 mol 227 unq 11 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 12.9332 7.55216 12.8864 12.3663 numMergedOcc 0
87 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 5.88703 6.56247 10.3388 11.6391 numMergedOcc 0
88 mol 234 unq 1 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 5.88703 6.56247 6.25105 11.6391 numMergedOcc 0
89 mol 234 unq 2 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 5.88703 9.36357 10.3388 11.6391 numMergedOcc 0
90 mol 234 unq 3 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 5.88703 9.36357 6.25105 11.6391 numMergedOcc 0
91 mol 236 unq 0 iso 0 dist 9.81562 5.34718 11.8759 9.3206 4.27181 13.0765 7.28249 8.03456 7.17676 10.1317 numMergedOcc 0
92 mol 236 unq 1 iso 0 dist 7.68742 5.34718 11.3552 9.3206 4.89609 13.0765 7.28249 6.84306 7.17676 10.1317 numMergedOcc 0
93 mol 236 unq 2 iso 0 dist 6.27581 5.34718 6.04825 9.3206 10.5774 13.0765 7.28249 9.99038 7.17676 10.1317 numMergedOcc 0
94 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 9.12776 10.3162 15.4844 5.34096 6.22714 10.5202 8.69015 numMergedOcc 0
95 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 9.12776 10.3162 13.037 5.34096 6.22714 12.1784 8.69015 numMergedOcc 0
96 mol 238 unq 2 iso 0 dist 7.31233 7.67322 12.6986 9.12776 10.3162 9.75095 5.34096 6.22714 12.1937 8.69015 numMergedOcc 0
97 mol 238 unq 3 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 5.34096 6.22714 7.49471 8.69015 numMergedOcc 0
98 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 9.05018 4.58289 13.1523 5.55137 7.21521 11.9152 9.33962 numMergedOcc 0
99 mol 248 unq 1 iso 0 dist 7.69895 8.50864 10.1857 9.05018 4.58289 13.1523 10.8081 8.2965 14.4409 11.4547 numMergedOcc 0
100 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 9.63573 7.20604 9.98303 4.69778 8.13497 10.9591 12.8229 numMergedOcc 0
101 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 4.69778 8.13497 10.9591 9.07743 numMergedOcc 0
