0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 7.12903 5.90976 5.51916 9.03536 8.38064 10.4158 8.21493 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 5.32694 5.46498 10.9143 6.58035 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 5.03957 7.82074 12.1187 8.73972 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.67038 8.4674 10.4091 6.20943 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 5.03957 7.82074 11.0366 8.73972 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.67038 8.4674 4.51865 6.20943 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.67038 4.51865 10.4091 6.20943 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.67038 4.51865 8.4674 6.20943 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.07775 7.20519 10.4091 9.80108 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 5.24762 6.43774 11.2563 7.06308 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 numMergedOcc 0
15 mol 58 unq 2 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 6.9948 7.47541 7.66905 7.22293 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 6.9948 7.97049 6.19965 9.47876 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 6.9948 7.97049 11.2656 9.47876 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 6.9948 7.66905 7.47541 7.22293 numMergedOcc 0
22 mol 85 unq 4 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 6.9948 6.19965 7.97049 9.47876 numMergedOcc 0
23 mol 85 unq 5 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 6.9948 6.19965 11.2656 9.47876 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 5.88134 6.65086 10.5134 7.75343 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 5.88134 6.65086 6.56369 7.75343 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 5.88134 6.56369 6.65086 7.75343 numMergedOcc 0
27 mol 100 unq 3 iso 0 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 5.88134 6.56369 10.5134 7.75343 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 numMergedOcc 0
29 mol 100 unq 5 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 5.88134 9.60661 9.35224 6.58204 numMergedOcc 0
30 mol 100 unq 6 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 5.88134 9.60661 10.5853 6.58204 numMergedOcc 0
31 mol 100 unq 7 iso 0 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 numMergedOcc 0
32 mol 100 unq 8 iso 0 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 5.88134 9.35224 9.60661 6.58204 numMergedOcc 0
33 mol 100 unq 9 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 5.88134 9.35224 10.5853 6.58204 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 numMergedOcc 0
35 mol 115 unq 1 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 numMergedOcc 0
36 mol 115 unq 2 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69052 9.33865 6.11741 9.66954 numMergedOcc 0
37 mol 115 unq 3 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 numMergedOcc 0
38 mol 115 unq 4 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69052 6.11741 13.8473 9.66954 numMergedOcc 0
39 mol 115 unq 5 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69052 6.11741 9.33865 9.66954 numMergedOcc 0
40 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 7.22206 7.83136 16.5575 7.63616 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.80819 6.49416 12.5075 8.6355 numMergedOcc 0
43 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.00817 6.49416 12.5075 8.6355 numMergedOcc 0
45 mol 134 unq 4 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 numMergedOcc 0
46 mol 134 unq 5 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 numMergedOcc 0
47 mol 134 unq 6 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 numMergedOcc 0
48 mol 134 unq 7 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 numMergedOcc 0
49 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 5.32922 5.31024 7.26382 9.07935 numMergedOcc 0
50 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 5.32922 5.31024 11.0824 9.07935 numMergedOcc 0
51 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 numMergedOcc 0
52 mol 142 unq 3 iso 0 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 5.32922 7.26382 5.31024 9.07935 numMergedOcc 0
53 mol 142 unq 4 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 5.32922 7.26382 11.0824 9.07935 numMergedOcc 0
54 mol 142 unq 5 iso 0 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 numMergedOcc 0
55 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 5.71071 6.23493 10.2463 7.16254 numMergedOcc 0
56 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.71071 6.23493 10.2463 9.86313 numMergedOcc 0
57 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 7.42466 7.652 9.92231 7.24908 numMergedOcc 0
58 mol 175 unq 1 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 7.42466 7.652 10.2623 7.24908 numMergedOcc 0
59 mol 175 unq 2 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 7.42466 9.0018 5.6234 9.8589 numMergedOcc 0
60 mol 175 unq 3 iso 0 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 7.42466 9.92231 7.652 7.24908 numMergedOcc 0
61 mol 175 unq 4 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 7.42466 9.92231 10.2623 7.24908 numMergedOcc 0
62 mol 175 unq 5 iso 0 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 numMergedOcc 0
63 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 4.70378 8.95269 9.99123 6.67585 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 numMergedOcc 0
65 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 5.88703 9.45496 6.7625 7.85175 numMergedOcc 0
67 mol 234 unq 2 iso 0 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 numMergedOcc 0
68 mol 234 unq 3 iso 0 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 numMergedOcc 0
69 mol 234 unq 4 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 5.88703 6.56247 9.36357 6.25105 numMergedOcc 0
70 mol 234 unq 5 iso 0 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 5.88703 9.36357 6.56247 6.25105 numMergedOcc 0
71 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 7.17676 11.8759 11.3552 7.28249 9.81562 7.68742 5.34718 numMergedOcc 0
72 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 7.17676 11.8759 6.04825 7.28249 9.81562 6.27581 5.34718 numMergedOcc 0
73 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 numMergedOcc 0
74 mol 236 unq 3 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 numMergedOcc 0
75 mol 236 unq 4 iso 0 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 numMergedOcc 0
76 mol 236 unq 5 iso 0 dist 6.84306 9.99038 11.3368 7.17676 11.3552 6.04825 7.28249 7.68742 6.27581 5.34718 numMergedOcc 0
77 mol 236 unq 6 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 numMergedOcc 0
78 mol 236 unq 7 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 numMergedOcc 0
79 mol 236 unq 8 iso 0 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 numMergedOcc 0
80 mol 236 unq 9 iso 0 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 numMergedOcc 0
81 mol 236 unq 10 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 numMergedOcc 0
82 mol 236 unq 11 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 numMergedOcc 0
83 mol 236 unq 12 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 7.28249 8.03456 6.84306 7.17676 numMergedOcc 0
84 mol 236 unq 13 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 7.28249 8.03456 9.99038 7.17676 numMergedOcc 0
85 mol 236 unq 14 iso 0 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 numMergedOcc 0
86 mol 236 unq 15 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 7.28249 6.84306 9.99038 7.17676 numMergedOcc 0
87 mol 236 unq 16 iso 0 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 numMergedOcc 0
88 mol 236 unq 17 iso 0 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 numMergedOcc 0
89 mol 272 unq 0 iso 0 dist 8.46116 9.97651 8.12676 9.09992 5.63139 10.841 5.40809 8.33638 13.2494 6.73206 numMergedOcc 0
