0 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
1 mol 19 unq 0 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.67038 8.4674 4.51865 13.4721 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.67038 4.51865 8.4674 13.4721 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.67038 8.4674 4.51865 14.6255 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.67038 4.51865 8.4674 14.6255 numMergedOcc 0
6 mol 19 unq 3 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
7 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.67038 4.51865 8.4674 6.20943 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 5.80928 8.4674 4.54938 9.58539 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 5.80928 4.54938 8.4674 9.58539 numMergedOcc 0
10 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
11 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 6.9948 7.66905 7.47541 7.22293 numMergedOcc 0
12 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
13 mol 85 unq 1 iso 1 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 6.9948 6.19965 7.97049 9.47876 numMergedOcc 0
14 mol 100 unq 0 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
15 mol 100 unq 0 iso 1 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 5.88134 6.56369 6.65086 7.75343 numMergedOcc 0
16 mol 100 unq 1 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
17 mol 100 unq 1 iso 1 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 5.88134 9.35224 9.60661 6.58204 numMergedOcc 0
18 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
19 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 numMergedOcc 0
23 mol 115 unq 2 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 numMergedOcc 0
24 mol 115 unq 3 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
25 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69052 6.11741 9.33865 9.66954 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.02349 9.33865 5.83991 13.9977 numMergedOcc 0
27 mol 115 unq 2 iso 1 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 8.02349 9.33865 5.83991 9.65429 numMergedOcc 0
29 mol 115 unq 3 iso 1 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 numMergedOcc 0
30 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
31 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 numMergedOcc 0
32 mol 134 unq 1 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
33 mol 134 unq 1 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 numMergedOcc 0
34 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
35 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 5.32922 7.26382 5.31024 9.07935 numMergedOcc 0
36 mol 142 unq 1 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
37 mol 142 unq 1 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 5.42328 5.87555 8.87437 12.4808 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 7.16148 6.70283 5.49936 9.13561 7.89109 8.25411 5.42328 8.87437 5.87555 12.4808 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 6.4896 8.67331 8.05741 14.1119 numMergedOcc 0
41 mol 152 unq 1 iso 1 dist 7.16148 6.70283 5.49936 9.13561 7.89109 8.25411 6.4896 8.05741 8.67331 14.1119 numMergedOcc 0
42 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
43 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 7.42466 9.92231 7.652 7.24908 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 6.2715 5.6234 9.92231 12.816 numMergedOcc 0
45 mol 175 unq 1 iso 1 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 6.2715 9.92231 5.6234 12.816 numMergedOcc 0
46 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
47 mol 175 unq 2 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 6.2715 9.0018 7.652 10.689 numMergedOcc 0
49 mol 175 unq 1 iso 1 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 6.2715 7.652 9.0018 10.689 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 6.87664 7.12232 5.3621 5.0744 6.60589 9.16166 10.8259 numMergedOcc 0
51 mol 224 unq 0 iso 1 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.0744 9.16166 6.60589 10.8259 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 numMergedOcc 0
53 mol 224 unq 1 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 numMergedOcc 0
54 mol 234 unq 0 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
55 mol 234 unq 0 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 numMergedOcc 0
56 mol 234 unq 1 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 5.88703 6.56247 9.36357 10.3388 numMergedOcc 0
57 mol 234 unq 1 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 5.88703 9.36357 6.56247 10.3388 numMergedOcc 0
58 mol 234 unq 2 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
59 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 5.88703 9.36357 6.56247 6.25105 numMergedOcc 0
60 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
61 mol 236 unq 0 iso 1 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 numMergedOcc 0
62 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 6.68463 9.07822 11.6837 7.28249 9.81562 7.68742 10.5713 numMergedOcc 0
63 mol 236 unq 1 iso 1 dist 6.84306 8.03456 5.79505 6.68463 11.6837 9.07822 7.28249 7.68742 9.81562 10.5713 numMergedOcc 0
64 mol 236 unq 2 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
65 mol 236 unq 2 iso 1 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 numMergedOcc 0
66 mol 236 unq 3 iso 0 dist 8.03456 9.99038 9.90963 6.68463 9.07822 8.8265 7.28249 9.81562 6.27581 10.5713 numMergedOcc 0
67 mol 236 unq 3 iso 1 dist 9.99038 8.03456 9.90963 6.68463 8.8265 9.07822 7.28249 6.27581 9.81562 10.5713 numMergedOcc 0
68 mol 236 unq 2 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
69 mol 236 unq 2 iso 1 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 numMergedOcc 0
70 mol 236 unq 3 iso 0 dist 6.84306 9.99038 11.3368 6.68463 11.6837 8.8265 7.28249 7.68742 6.27581 10.5713 numMergedOcc 0
71 mol 236 unq 3 iso 1 dist 9.99038 6.84306 11.3368 6.68463 8.8265 11.6837 7.28249 6.27581 7.68742 10.5713 numMergedOcc 0
72 mol 236 unq 4 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
73 mol 236 unq 4 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 numMergedOcc 0
74 mol 236 unq 5 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
75 mol 236 unq 5 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 numMergedOcc 0
76 mol 236 unq 5 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
77 mol 236 unq 5 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 numMergedOcc 0
78 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 7.66365 4.23801 9.37715 8.41807 8.1715 9.2288 10.165 numMergedOcc 0
79 mol 252 unq 0 iso 1 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 8.41807 9.2288 8.1715 10.165 numMergedOcc 0
