0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 13.2247 12.2333 9.36807 9.87885 12.8323 7.92429 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 13.2247 12.2333 9.36807 14.1836 16.5681 11.2233 7.67927 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 13.2247 10.5461 6.36911 6.1206 7.12508 7.92429 9.87885 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.92781 6.31718 5.47769 6.57331 4.65873 4.68733 8.43054 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 6.31718 5.47769 6.2983 6.92781 5.05803 7.03948 11.0298 5.01101 9.87867 6.42835 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 6.31718 5.47769 6.2983 6.92781 5.05803 7.03948 8.43054 4.65873 4.68733 6.57331 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 7.63133 5.47769 5.94084 6.92781 12.5273 7.03948 11.0298 15.1441 9.87867 6.42835 numMergedOcc 0
7 mol 16 unq 4 iso 0 dist 7.63133 5.47769 5.94084 6.92781 12.5273 7.03948 8.43054 9.81307 4.68733 6.57331 numMergedOcc 0
8 mol 16 unq 5 iso 0 dist 5.46498 6.58035 5.94084 10.7015 12.5273 7.03948 15.3667 15.1441 9.87867 6.42835 numMergedOcc 0
9 mol 16 unq 6 iso 0 dist 5.46498 6.58035 5.94084 10.7015 12.5273 7.03948 11.1513 9.81307 4.68733 6.57331 numMergedOcc 0
10 mol 16 unq 7 iso 0 dist 5.46498 6.58035 5.94084 5.32694 7.63133 5.47769 11.1513 9.81307 4.68733 8.43054 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 5.24762 7.2846 6.34173 11.5679 6.42339 6.00679 9.33906 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 5.35073 6.35756 8.89374 13.3281 9.87158 14.6599 8.96727 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 6.86465 8.63333 6.47744 5.35073 6.35756 8.89374 11.5155 5.86526 9.47022 8.01308 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 14.4498 15.802 14.6599 8.96727 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 10.6166 10.0319 9.47022 8.01308 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 18.0198 15.561 11.0945 8.69057 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 20.9029 15.802 14.6599 8.96727 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 16.7574 10.0319 9.47022 8.01308 numMergedOcc 0
19 mol 58 unq 7 iso 0 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 13.1897 15.561 11.0945 8.69057 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 20.9029 26.2291 14.6599 8.96727 numMergedOcc 0
21 mol 58 unq 9 iso 0 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 16.7574 20.6246 9.47022 8.01308 numMergedOcc 0
22 mol 58 unq 10 iso 0 dist 9.55426 6.31428 6.75888 5.90225 7.32874 6.40841 13.1897 5.61579 11.0945 8.69057 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 5.36766 12.8385 8.624 7.12321 4.27726 9.88768 9.74228 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 5.36766 10.8086 8.624 7.12321 7.47371 9.88768 9.74228 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 5.4148 10.2049 4.65521 12.2276 18.7673 6.10063 8.68662 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.38498 8.70133 13.4082 5.4148 10.2049 4.65521 9.73086 17.4121 6.15714 7.4369 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 5.93252 5.64598 9.77992 7.4697 13.1662 8.70133 10.9476 15.6317 6.15714 9.73086 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 5.93252 5.64598 9.77992 5.7113 11.379 4.65521 11.6739 15.5347 6.10063 8.68662 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 5.93252 5.64598 9.77992 5.7113 11.379 4.65521 10.9476 15.6317 6.15714 7.4369 numMergedOcc 0
30 mol 73 unq 5 iso 0 dist 9.96396 8.70133 7.41074 5.4148 6.19304 4.65521 12.2276 6.20232 6.10063 8.68662 numMergedOcc 0
31 mol 73 unq 6 iso 0 dist 9.96396 8.70133 7.41074 5.4148 6.19304 4.65521 9.73086 5.70116 6.15714 7.4369 numMergedOcc 0
32 mol 73 unq 7 iso 0 dist 6.19304 4.65521 7.41074 5.4148 9.96396 8.70133 7.4369 5.70116 6.15714 9.73086 numMergedOcc 0
33 mol 73 unq 8 iso 0 dist 9.75218 8.70133 15.9882 5.4148 11.6369 4.65521 12.2276 17.2422 6.10063 8.68662 numMergedOcc 0
34 mol 73 unq 9 iso 0 dist 9.75218 8.70133 15.9882 5.4148 11.6369 4.65521 9.73086 14.844 6.15714 7.4369 numMergedOcc 0
35 mol 92 unq 0 iso 0 dist 6.82344 9.70512 6.99832 8.95922 7.4729 5.81965 11.1432 4.46885 7.94489 8.3773 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 7.69052 13.8473 9.66954 9.42082 15.3161 6.49835 6.39384 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 9.33865 9.66954 6.09023 7.69052 5.83991 8.66155 13.4105 4.48636 9.13361 7.69765 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 9.33865 9.66954 6.09023 7.69052 5.83991 8.66155 6.39384 6.63111 6.49835 9.42082 numMergedOcc 0
39 mol 115 unq 3 iso 0 dist 5.83991 8.66155 6.09023 7.69052 9.33865 9.66954 9.42082 6.63111 6.49835 6.39384 numMergedOcc 0
40 mol 115 unq 4 iso 0 dist 6.11741 9.66954 4.61908 7.69052 7.88312 8.66155 13.4105 11.835 9.13361 7.69765 numMergedOcc 0
41 mol 115 unq 5 iso 0 dist 6.11741 9.66954 4.61908 7.69052 7.88312 8.66155 6.39384 6.07067 6.49835 9.42082 numMergedOcc 0
42 mol 115 unq 6 iso 0 dist 7.88312 8.66155 4.61908 7.69052 6.11741 9.66954 9.42082 6.07067 6.49835 6.39384 numMergedOcc 0
43 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 7.22206 16.5575 7.63616 10.4223 15.7476 5.56883 8.19331 numMergedOcc 0
44 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 7.22206 7.83136 7.63616 10.4223 3.55765 5.56883 8.19331 numMergedOcc 0
45 mol 117 unq 2 iso 0 dist 7.83136 7.63616 4.91401 7.22206 7.90328 6.62561 11.6387 10.5783 6.95589 6.10127 numMergedOcc 0
46 mol 127 unq 0 iso 0 dist 8.14887 7.34519 7.41404 6.16471 11.3474 6.63981 11.5667 11.0381 6.15949 7.79505 numMergedOcc 0
47 mol 127 unq 1 iso 0 dist 9.30299 7.34519 13.1312 6.16471 14.9565 6.63981 11.5667 17.5098 6.15949 7.79505 numMergedOcc 0
48 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 7.50049 13.572 7.66168 10.4564 9.51362 4.02212 9.98797 numMergedOcc 0
49 mol 130 unq 1 iso 0 dist 8.70949 8.74308 6.76754 7.50049 13.572 9.12581 10.4564 9.51362 5.46642 9.98797 numMergedOcc 0
50 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 4.35917 11.5751 7.61505 6.89918 12.9631 6.545 7.89457 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 8.80819 11.9139 8.79571 11.988 12.847 5.67107 7.21868 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 6.54501 8.6355 10.1448 5.00817 9.5126 5.42582 9.55584 9.45357 6.0991 9.33924 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 6.54501 8.6355 10.1448 5.00817 9.5126 5.42582 11.988 12.847 5.67107 7.93372 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 8.94367 8.79571 5.41704 5.49782 6.37586 5.42582 13.9752 6.95573 6.0991 9.33924 numMergedOcc 0
55 mol 134 unq 4 iso 0 dist 8.94367 8.79571 5.41704 5.49782 6.37586 5.42582 7.21868 8.06642 5.67107 7.93372 numMergedOcc 0
56 mol 134 unq 5 iso 0 dist 6.37586 5.42582 5.41704 5.49782 8.94367 8.79571 7.93372 8.06642 5.67107 7.21868 numMergedOcc 0
57 mol 134 unq 6 iso 0 dist 6.49416 8.6355 5.41704 8.80819 8.94367 8.79571 11.988 8.06642 5.67107 7.21868 numMergedOcc 0
58 mol 134 unq 7 iso 0 dist 6.49416 8.6355 5.41704 5.00817 6.37586 5.42582 9.55584 6.95573 6.0991 9.33924 numMergedOcc 0
59 mol 134 unq 8 iso 0 dist 6.49416 8.6355 5.41704 5.00817 6.37586 5.42582 11.988 8.06642 5.67107 7.93372 numMergedOcc 0
60 mol 134 unq 9 iso 0 dist 9.86662 8.79571 6.17103 5.49782 9.71307 5.42582 13.9752 10.2026 6.0991 9.33924 numMergedOcc 0
61 mol 134 unq 10 iso 0 dist 9.86662 8.79571 6.17103 5.49782 9.71307 5.42582 7.21868 4.00092 5.67107 7.93372 numMergedOcc 0
62 mol 134 unq 11 iso 0 dist 9.71307 5.42582 6.17103 5.49782 9.86662 8.79571 7.93372 4.00092 5.67107 7.21868 numMergedOcc 0
63 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 5.32922 5.31024 9.07935 7.81207 4.67662 5.26247 6.14151 numMergedOcc 0
64 mol 142 unq 1 iso 0 dist 5.31024 9.07935 9.49653 5.32922 9.2313 7.15475 6.14151 4.67662 5.26247 7.81207 numMergedOcc 0
65 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 5.32922 9.2313 7.15475 10.7696 13.5913 12.2806 7.18002 numMergedOcc 0
66 mol 142 unq 3 iso 0 dist 7.73169 7.15475 7.53854 5.32922 7.26382 9.07935 7.81207 5.81599 5.26247 6.14151 numMergedOcc 0
67 mol 142 unq 4 iso 0 dist 7.26382 9.07935 7.53854 5.32922 7.73169 7.15475 6.14151 5.81599 5.26247 7.81207 numMergedOcc 0
68 mol 142 unq 5 iso 0 dist 7.26382 9.07935 7.53854 5.32922 7.73169 7.15475 10.7696 9.99555 12.2806 7.18002 numMergedOcc 0
69 mol 142 unq 6 iso 0 dist 8.96657 7.15475 10.3477 5.32922 11.0824 9.07935 7.81207 11.1 5.26247 6.14151 numMergedOcc 0
70 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 5.71071 7.46303 9.14392 12.9034 9.16779 12.0485 8.97626 numMergedOcc 0
71 mol 155 unq 1 iso 0 dist 6.23493 9.86313 5.86939 5.71071 7.46303 7.51198 12.9034 9.16779 4.48516 8.97626 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 8.95269 6.67585 5.29877 4.70378 6.57273 6.65984 13.2325 7.05804 10.9705 8.79428 numMergedOcc 0
73 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.22356 8.65997 6.95902 5.23634 5.0317 4.09934 6.91318 numMergedOcc 0
74 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 5.22356 7.22101 8.17891 6.91318 5.0317 4.09934 5.23634 numMergedOcc 0
75 mol 227 unq 2 iso 0 dist 7.09863 8.17891 9.13836 5.22356 10.8157 6.95902 5.23634 5.83175 4.09934 6.91318 numMergedOcc 0
76 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 5.88703 12.9605 7.85175 11.6391 14.898 10.5304 7.81215 numMergedOcc 0
77 mol 234 unq 1 iso 0 dist 6.56247 6.25105 11.216 5.88703 9.45496 7.85175 11.6391 12.4252 10.5304 7.81215 numMergedOcc 0
78 mol 234 unq 2 iso 0 dist 9.36357 6.25105 11.4315 5.88703 6.7625 7.85175 11.6391 5.75498 10.5304 7.81215 numMergedOcc 0
79 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 16.4493 15.3051 6.98084 11.0129 11.7928 4.47008 8.19317 numMergedOcc 0
80 mol 235 unq 1 iso 0 dist 5.4638 9.58736 9.66021 16.4493 15.3051 6.98084 15.1974 14.5867 7.34601 6.29377 numMergedOcc 0
81 mol 235 unq 2 iso 0 dist 5.4638 9.58736 9.66021 15.4 16.4776 7.32211 11.0129 11.7928 4.47008 5.1823 numMergedOcc 0
82 mol 235 unq 3 iso 0 dist 5.4638 9.58736 9.66021 15.4 16.4776 7.32211 15.1974 14.5867 7.34601 5.70635 numMergedOcc 0
83 mol 236 unq 0 iso 0 dist 8.03456 7.17676 11.8759 7.28249 9.81562 5.34718 10.1317 4.27181 13.0765 9.3206 numMergedOcc 0
84 mol 236 unq 1 iso 0 dist 6.84306 7.17676 11.3552 7.28249 7.68742 5.34718 10.1317 4.89609 13.0765 9.3206 numMergedOcc 0
85 mol 236 unq 2 iso 0 dist 9.99038 7.17676 6.04825 7.28249 6.27581 5.34718 10.1317 10.5774 13.0765 9.3206 numMergedOcc 0
86 mol 236 unq 3 iso 0 dist 9.78037 7.17676 12.6468 7.28249 13.499 5.34718 10.1317 11.0923 13.0765 9.3206 numMergedOcc 0
87 mol 236 unq 4 iso 0 dist 8.35971 7.17676 6.40312 7.28249 11.2141 5.34718 10.1317 16.9105 13.0765 9.3206 numMergedOcc 0
88 mol 238 unq 0 iso 0 dist 6.57393 5.38637 6.20606 5.42006 11.101 6.55759 13.9551 20.1157 15.4844 9.12776 numMergedOcc 0
89 mol 238 unq 1 iso 0 dist 5.72887 9.29858 13.069 10.1648 12.8711 9.68513 12.7605 17.2864 5.99163 8.82351 numMergedOcc 0
90 mol 238 unq 2 iso 0 dist 6.22714 7.49471 5.17471 5.34096 7.31233 7.19008 8.69015 10.3162 6.12722 9.12776 numMergedOcc 0
91 mol 259 unq 0 iso 0 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 17.0253 14.6375 9.98303 9.63573 numMergedOcc 0
92 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 20.1127 19.2084 14.0829 7.66153 numMergedOcc 0
