0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 5.90976 8.21493 7.12903 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 5.90976 7.12903 8.21493 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.2983 7.03948 5.47769 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.31718 5.05803 6.92781 6.2983 5.47769 7.03948 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.63133 5.46498 5.32694 5.94084 5.47769 6.58035 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 5.46498 7.63133 5.32694 5.94084 6.58035 5.47769 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 5.46498 8.71745 5.74188 6.73355 8.41862 8.16785 numMergedOcc 0
7 mol 16 unq 2 iso 1 dist 8.71745 5.46498 5.74188 6.73355 8.16785 8.41862 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 6.864 7.07775 5.5841 9.80108 8.58657 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 6.864 7.20519 7.07775 5.5841 8.58657 9.80108 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 4.54938 8.4674 7.67038 5.14627 7.82528 6.20943 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 6.55187 8.23643 8.73972 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 7.82074 4.54938 5.03957 6.55187 8.73972 8.23643 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 6.864 4.51865 7.67038 4.69858 7.82528 6.20943 numMergedOcc 0
16 mol 45 unq 0 iso 0 dist 6.43774 7.2846 5.24762 4.71384 7.06308 6.34173 numMergedOcc 0
17 mol 45 unq 0 iso 1 dist 7.2846 6.43774 5.24762 4.71384 6.34173 7.06308 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 numMergedOcc 0
22 mol 58 unq 2 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 numMergedOcc 0
23 mol 58 unq 2 iso 1 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 numMergedOcc 0
25 mol 58 unq 3 iso 1 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.41074 8.70133 4.65521 numMergedOcc 0
27 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 7.41074 4.65521 8.70133 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 7.98917 9.47876 7.22293 numMergedOcc 0
29 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 7.98917 7.22293 9.47876 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 11.6116 9.47876 7.22293 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 11.6116 7.22293 9.47876 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.99832 5.81965 9.70512 numMergedOcc 0
33 mol 92 unq 0 iso 1 dist 6.82344 7.4729 8.95922 6.99832 9.70512 5.81965 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 10.9608 6.58204 7.75343 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 6.65086 9.60661 5.88134 10.9608 7.75343 6.58204 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 9.35224 6.56369 5.88134 5.69137 6.58204 7.75343 numMergedOcc 0
37 mol 100 unq 1 iso 1 dist 6.56369 9.35224 5.88134 5.69137 7.75343 6.58204 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 9.33865 5.83991 7.69052 6.09023 9.66954 8.66155 numMergedOcc 0
39 mol 115 unq 0 iso 1 dist 5.83991 9.33865 7.69052 6.09023 8.66155 9.66954 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 6.11741 7.88312 7.69052 4.61908 9.66954 8.66155 numMergedOcc 0
41 mol 115 unq 1 iso 1 dist 7.88312 6.11741 7.69052 4.61908 8.66155 9.66954 numMergedOcc 0
42 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 4.91401 6.62561 7.63616 numMergedOcc 0
43 mol 117 unq 0 iso 1 dist 7.83136 7.90328 7.22206 4.91401 7.63616 6.62561 numMergedOcc 0
44 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 6.19596 8.6243 6.91348 numMergedOcc 0
45 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 6.19596 6.91348 8.6243 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 5.41704 8.79571 5.42582 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 5.41704 5.42582 8.79571 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 5.41704 8.79571 8.6355 numMergedOcc 0
49 mol 134 unq 1 iso 1 dist 6.49416 8.94367 8.80819 5.41704 8.6355 8.79571 numMergedOcc 0
50 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 5.41704 5.42582 8.6355 numMergedOcc 0
51 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 5.41704 8.6355 5.42582 numMergedOcc 0
52 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 6.17103 8.79571 5.42582 numMergedOcc 0
53 mol 134 unq 2 iso 1 dist 9.71307 9.86662 5.49782 6.17103 5.42582 8.79571 numMergedOcc 0
54 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 9.49653 7.15475 9.07935 numMergedOcc 0
55 mol 142 unq 0 iso 1 dist 5.31024 9.2313 5.32922 9.49653 9.07935 7.15475 numMergedOcc 0
56 mol 142 unq 1 iso 0 dist 7.73169 7.26382 5.32922 7.53854 7.15475 9.07935 numMergedOcc 0
57 mol 142 unq 1 iso 1 dist 7.26382 7.73169 5.32922 7.53854 9.07935 7.15475 numMergedOcc 0
58 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 numMergedOcc 0
59 mol 155 unq 0 iso 1 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 numMergedOcc 0
60 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 numMergedOcc 0
61 mol 155 unq 1 iso 1 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 numMergedOcc 0
62 mol 156 unq 0 iso 0 dist 7.44554 9.83699 8.38403 6.29785 9.36805 7.55203 numMergedOcc 0
63 mol 156 unq 0 iso 1 dist 9.83699 7.44554 8.38403 6.29785 7.55203 9.36805 numMergedOcc 0
64 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 8.22779 9.8589 7.24908 numMergedOcc 0
65 mol 175 unq 0 iso 1 dist 7.652 9.0018 7.42466 8.22779 7.24908 9.8589 numMergedOcc 0
66 mol 175 unq 1 iso 0 dist 5.6234 9.92231 7.42466 10.5631 9.8589 7.24908 numMergedOcc 0
67 mol 175 unq 1 iso 1 dist 9.92231 5.6234 7.42466 10.5631 7.24908 9.8589 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 5.29877 6.67585 6.65984 numMergedOcc 0
69 mol 224 unq 0 iso 1 dist 6.57273 8.95269 4.70378 5.29877 6.65984 6.67585 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 numMergedOcc 0
71 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 11.216 6.25105 7.85175 numMergedOcc 0
73 mol 234 unq 0 iso 1 dist 9.45496 6.56247 5.88703 11.216 7.85175 6.25105 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 11.4315 6.25105 7.85175 numMergedOcc 0
75 mol 234 unq 1 iso 1 dist 6.7625 9.36357 5.88703 11.4315 7.85175 6.25105 numMergedOcc 0
76 mol 236 unq 0 iso 0 dist 8.03456 9.81562 7.28249 11.8759 7.17676 5.34718 numMergedOcc 0
77 mol 236 unq 0 iso 1 dist 9.81562 8.03456 7.28249 11.8759 5.34718 7.17676 numMergedOcc 0
78 mol 236 unq 1 iso 0 dist 6.84306 7.68742 7.28249 11.3552 7.17676 5.34718 numMergedOcc 0
79 mol 236 unq 1 iso 1 dist 7.68742 6.84306 7.28249 11.3552 5.34718 7.17676 numMergedOcc 0
80 mol 236 unq 2 iso 0 dist 9.99038 6.27581 7.28249 6.04825 7.17676 5.34718 numMergedOcc 0
81 mol 236 unq 2 iso 1 dist 6.27581 9.99038 7.28249 6.04825 5.34718 7.17676 numMergedOcc 0
82 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 numMergedOcc 0
83 mol 238 unq 0 iso 1 dist 7.31233 6.22714 5.34096 5.17471 7.19008 7.49471 numMergedOcc 0
84 mol 272 unq 0 iso 0 dist 8.33638 8.46116 5.40809 5.63139 6.73206 9.09992 numMergedOcc 0
85 mol 272 unq 0 iso 1 dist 8.46116 8.33638 5.40809 5.63139 9.09992 6.73206 numMergedOcc 0
86 mol 282 unq 0 iso 0 dist 8.04483 6.33524 5.39891 6.3384 6.85028 7.32347 numMergedOcc 0
87 mol 282 unq 0 iso 1 dist 6.33524 8.04483 5.39891 6.3384 7.32347 6.85028 numMergedOcc 0
