0 mol 5 unq 0 iso 0 dist 6.86923 5.70932 9.95226 10.7591 5.69239 10.9809 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 9.95226 5.70932 6.86923 10.9809 5.69239 10.7591 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 6.86923 7.67464 4.60775 10.7591 5.69239 3.91535 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 4.60775 7.67464 6.86923 3.91535 5.69239 10.7591 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 6.86923 9.39982 8.64744 10.7591 5.69239 6.94674 numMergedOcc 0
5 mol 5 unq 2 iso 1 dist 8.64744 9.39982 6.86923 6.94674 5.69239 10.7591 numMergedOcc 0
6 mol 5 unq 1 iso 0 dist 9.95226 8.28622 4.60775 10.9809 5.69239 3.91535 numMergedOcc 0
7 mol 5 unq 1 iso 1 dist 4.60775 8.28622 9.95226 3.91535 5.69239 10.9809 numMergedOcc 0
8 mol 5 unq 2 iso 0 dist 9.95226 6.78181 8.64744 10.9809 5.69239 6.94674 numMergedOcc 0
9 mol 5 unq 2 iso 1 dist 8.64744 6.78181 9.95226 6.94674 5.69239 10.9809 numMergedOcc 0
10 mol 5 unq 2 iso 0 dist 4.60775 7.02829 8.64744 3.91535 5.69239 6.94674 numMergedOcc 0
11 mol 5 unq 2 iso 1 dist 8.64744 7.02829 4.60775 6.94674 5.69239 3.91535 numMergedOcc 0
12 mol 5 unq 3 iso 0 dist 9.22067 14.5394 8.49537 6.62108 9.70883 14.7887 numMergedOcc 0
13 mol 5 unq 3 iso 1 dist 8.49537 14.5394 9.22067 14.7887 9.70883 6.62108 numMergedOcc 0
14 mol 5 unq 4 iso 0 dist 9.22067 14.5394 8.49537 12.0343 9.65565 8.65468 numMergedOcc 0
15 mol 5 unq 4 iso 1 dist 8.49537 14.5394 9.22067 8.65468 9.65565 12.0343 numMergedOcc 0
16 mol 28 unq 0 iso 0 dist 8.09862 16.4082 8.97167 9.64948 7.08766 10.1805 numMergedOcc 0
17 mol 28 unq 0 iso 1 dist 8.97167 16.4082 8.09862 10.1805 7.08766 9.64948 numMergedOcc 0
18 mol 28 unq 1 iso 0 dist 8.89114 16.4082 8.8182 9.64948 4.82199 10.1805 numMergedOcc 0
19 mol 28 unq 1 iso 1 dist 8.8182 16.4082 8.89114 10.1805 4.82199 9.64948 numMergedOcc 0
20 mol 34 unq 0 iso 0 dist 8.73053 4.22783 7.07087 8.52974 9.48125 5.27925 numMergedOcc 0
21 mol 34 unq 0 iso 1 dist 7.07087 4.22783 8.73053 5.27925 9.48125 8.52974 numMergedOcc 0
22 mol 48 unq 0 iso 0 dist 9.55284 5.13868 7.36877 6.25072 5.54472 6.64874 numMergedOcc 0
23 mol 48 unq 0 iso 1 dist 7.36877 5.13868 9.55284 6.64874 5.54472 6.25072 numMergedOcc 0
24 mol 48 unq 1 iso 0 dist 9.55284 5.13868 7.36877 3.72926 8.62369 5.68077 numMergedOcc 0
25 mol 48 unq 1 iso 1 dist 7.36877 5.13868 9.55284 5.68077 8.62369 3.72926 numMergedOcc 0
26 mol 48 unq 2 iso 0 dist 9.55284 5.13868 7.36877 8.48678 6.5241 3.85292 numMergedOcc 0
27 mol 48 unq 2 iso 1 dist 7.36877 5.13868 9.55284 3.85292 6.5241 8.48678 numMergedOcc 0
28 mol 48 unq 3 iso 0 dist 7.33788 5.43494 8.52681 7.0331 8.96151 10.4499 numMergedOcc 0
29 mol 48 unq 3 iso 1 dist 8.52681 5.43494 7.33788 10.4499 8.96151 7.0331 numMergedOcc 0
30 mol 48 unq 4 iso 0 dist 7.33788 5.43494 8.52681 3.85292 4.22002 6.44604 numMergedOcc 0
31 mol 48 unq 4 iso 1 dist 8.52681 5.43494 7.33788 6.44604 4.22002 3.85292 numMergedOcc 0
32 mol 48 unq 5 iso 0 dist 9.74351 5.43494 9.98769 3.85292 8.10774 6.44604 numMergedOcc 0
33 mol 48 unq 5 iso 1 dist 9.98769 5.43494 9.74351 6.44604 8.10774 3.85292 numMergedOcc 0
34 mol 48 unq 6 iso 0 dist 9.21776 5.56042 9.40291 3.72746 8.14245 6.4561 numMergedOcc 0
35 mol 48 unq 6 iso 1 dist 9.40291 5.56042 9.21776 6.4561 8.14245 3.72746 numMergedOcc 0
36 mol 48 unq 7 iso 0 dist 6.85843 5.56042 7.94814 3.72746 4.17933 6.4561 numMergedOcc 0
37 mol 48 unq 7 iso 1 dist 7.94814 5.56042 6.85843 6.4561 4.17933 3.72746 numMergedOcc 0
38 mol 85 unq 0 iso 0 dist 8.67342 9.06957 5.73739 4.8069 6.67137 10.0178 numMergedOcc 0
39 mol 85 unq 0 iso 1 dist 5.73739 9.06957 8.67342 10.0178 6.67137 4.8069 numMergedOcc 0
40 mol 85 unq 1 iso 0 dist 8.67342 9.06957 5.73739 18.1303 9.78707 12.1664 numMergedOcc 0
41 mol 85 unq 1 iso 1 dist 5.73739 9.06957 8.67342 12.1664 9.78707 18.1303 numMergedOcc 0
42 mol 85 unq 2 iso 0 dist 8.60062 9.06957 5.16225 11.1042 7.07839 10.0529 numMergedOcc 0
43 mol 85 unq 2 iso 1 dist 5.16225 9.06957 8.60062 10.0529 7.07839 11.1042 numMergedOcc 0
44 mol 85 unq 3 iso 0 dist 8.60062 9.06957 5.16225 7.55572 9.09711 8.41797 numMergedOcc 0
45 mol 85 unq 3 iso 1 dist 5.16225 9.06957 8.60062 8.41797 9.09711 7.55572 numMergedOcc 0
46 mol 85 unq 4 iso 0 dist 8.60062 9.06957 5.16225 10.9585 7.91193 9.0874 numMergedOcc 0
47 mol 85 unq 4 iso 1 dist 5.16225 9.06957 8.60062 9.0874 7.91193 10.9585 numMergedOcc 0
48 mol 85 unq 5 iso 0 dist 8.60062 9.06957 5.16225 4.8069 7.04244 10.0178 numMergedOcc 0
49 mol 85 unq 5 iso 1 dist 5.16225 9.06957 8.60062 10.0178 7.04244 4.8069 numMergedOcc 0
50 mol 85 unq 6 iso 0 dist 8.60062 9.06957 5.16225 18.1303 9.63449 12.1664 numMergedOcc 0
51 mol 85 unq 6 iso 1 dist 5.16225 9.06957 8.60062 12.1664 9.63449 18.1303 numMergedOcc 0
52 mol 101 unq 0 iso 0 dist 7.33426 10.7319 8.17175 9.71802 8.19144 4.97717 numMergedOcc 0
53 mol 101 unq 0 iso 1 dist 8.17175 10.7319 7.33426 4.97717 8.19144 9.71802 numMergedOcc 0
54 mol 266 unq 0 iso 0 dist 9.90506 5.6921 9.03341 4.39553 6.96692 3.94797 numMergedOcc 0
55 mol 266 unq 0 iso 1 dist 9.03341 5.6921 9.90506 3.94797 6.96692 4.39553 numMergedOcc 0
56 mol 266 unq 1 iso 0 dist 6.39822 5.40028 8.61077 10.1418 7.8598 10.3155 numMergedOcc 0
57 mol 266 unq 1 iso 1 dist 8.61077 5.40028 6.39822 10.3155 7.8598 10.1418 numMergedOcc 0
58 mol 266 unq 2 iso 0 dist 6.39822 5.40028 8.61077 7.63149 8.25286 4.39553 numMergedOcc 0
59 mol 266 unq 2 iso 1 dist 8.61077 5.40028 6.39822 4.39553 8.25286 7.63149 numMergedOcc 0
60 mol 266 unq 3 iso 0 dist 5.36518 5.40028 9.11585 10.1418 7.80711 10.3155 numMergedOcc 0
61 mol 266 unq 3 iso 1 dist 9.11585 5.40028 5.36518 10.3155 7.80711 10.1418 numMergedOcc 0
62 mol 266 unq 4 iso 0 dist 5.36518 5.40028 9.11585 7.63149 9.9965 4.39553 numMergedOcc 0
63 mol 266 unq 4 iso 1 dist 9.11585 5.40028 5.36518 4.39553 9.9965 7.63149 numMergedOcc 0
64 mol 277 unq 0 iso 0 dist 9.07744 12.752 8.42892 9.21484 7.98956 7.73174 numMergedOcc 0
65 mol 277 unq 0 iso 1 dist 8.42892 12.752 9.07744 7.73174 7.98956 9.21484 numMergedOcc 0
66 mol 277 unq 1 iso 0 dist 9.07744 12.752 8.42892 10.3506 5.86185 5.42115 numMergedOcc 0
67 mol 277 unq 1 iso 1 dist 8.42892 12.752 9.07744 5.42115 5.86185 10.3506 numMergedOcc 0
68 mol 277 unq 2 iso 0 dist 9.07744 12.752 8.42892 10.4629 6.79748 12.6492 numMergedOcc 0
69 mol 277 unq 2 iso 1 dist 8.42892 12.752 9.07744 12.6492 6.79748 10.4629 numMergedOcc 0
70 mol 277 unq 3 iso 0 dist 9.07744 15.2073 8.90967 9.21484 7.98956 16.883 numMergedOcc 0
71 mol 277 unq 3 iso 1 dist 8.90967 15.2073 9.07744 16.883 7.98956 9.21484 numMergedOcc 0
72 mol 277 unq 4 iso 0 dist 9.07744 15.2073 8.90967 10.3506 5.86185 14.5363 numMergedOcc 0
73 mol 277 unq 4 iso 1 dist 8.90967 15.2073 9.07744 14.5363 5.86185 10.3506 numMergedOcc 0
74 mol 277 unq 5 iso 0 dist 9.07744 15.2073 8.90967 10.4629 6.79748 5.91105 numMergedOcc 0
75 mol 277 unq 5 iso 1 dist 8.90967 15.2073 9.07744 5.91105 6.79748 10.4629 numMergedOcc 0
76 mol 277 unq 3 iso 0 dist 8.42892 15.6008 8.90967 7.73174 7.98956 16.883 numMergedOcc 0
77 mol 277 unq 3 iso 1 dist 8.90967 15.6008 8.42892 16.883 7.98956 7.73174 numMergedOcc 0
78 mol 277 unq 4 iso 0 dist 8.42892 15.6008 8.90967 5.42115 5.86185 14.5363 numMergedOcc 0
79 mol 277 unq 4 iso 1 dist 8.90967 15.6008 8.42892 14.5363 5.86185 5.42115 numMergedOcc 0
80 mol 277 unq 5 iso 0 dist 8.42892 15.6008 8.90967 12.6492 6.79748 5.91105 numMergedOcc 0
81 mol 277 unq 5 iso 1 dist 8.90967 15.6008 8.42892 5.91105 6.79748 12.6492 numMergedOcc 0
82 mol 281 unq 0 iso 0 dist 9.39268 15.6382 9.06888 12.4082 7.90368 15.8562 numMergedOcc 0
83 mol 281 unq 0 iso 1 dist 9.06888 15.6382 9.39268 15.8562 7.90368 12.4082 numMergedOcc 0
84 mol 281 unq 1 iso 0 dist 9.39268 15.6382 9.06888 10.4439 6.69267 6.28551 numMergedOcc 0
85 mol 281 unq 1 iso 1 dist 9.06888 15.6382 9.39268 6.28551 6.69267 10.4439 numMergedOcc 0
86 mol 287 unq 0 iso 0 dist 5.44942 5.42655 8.53689 5.1451 6.24487 7.5241 numMergedOcc 0
87 mol 287 unq 0 iso 1 dist 8.53689 5.42655 5.44942 7.5241 6.24487 5.1451 numMergedOcc 0
88 mol 287 unq 1 iso 0 dist 5.44942 8.72516 7.82157 5.1451 6.24487 5.15725 numMergedOcc 0
89 mol 287 unq 1 iso 1 dist 7.82157 8.72516 5.44942 5.15725 6.24487 5.1451 numMergedOcc 0
90 mol 287 unq 1 iso 0 dist 8.53689 12.4945 7.82157 7.5241 6.24487 5.15725 numMergedOcc 0
91 mol 287 unq 1 iso 1 dist 7.82157 12.4945 8.53689 5.15725 6.24487 7.5241 numMergedOcc 0
92 mol 288 unq 0 iso 0 dist 5.44942 5.42655 8.53689 5.1451 6.24487 7.5241 numMergedOcc 0
93 mol 288 unq 0 iso 1 dist 8.53689 5.42655 5.44942 7.5241 6.24487 5.1451 numMergedOcc 0
94 mol 288 unq 1 iso 0 dist 5.44942 8.72516 7.82157 5.1451 6.24487 5.15725 numMergedOcc 0
95 mol 288 unq 1 iso 1 dist 7.82157 8.72516 5.44942 5.15725 6.24487 5.1451 numMergedOcc 0
96 mol 288 unq 1 iso 0 dist 8.53689 12.4945 7.82157 7.5241 6.24487 5.15725 numMergedOcc 0
97 mol 288 unq 1 iso 1 dist 7.82157 12.4945 8.53689 5.15725 6.24487 7.5241 numMergedOcc 0
98 mol 289 unq 0 iso 0 dist 5.44942 5.42655 8.53689 5.1451 6.24487 7.5241 numMergedOcc 0
99 mol 289 unq 0 iso 1 dist 8.53689 5.42655 5.44942 7.5241 6.24487 5.1451 numMergedOcc 0
100 mol 289 unq 1 iso 0 dist 5.44942 8.72516 7.82157 5.1451 6.24487 5.15725 numMergedOcc 0
101 mol 289 unq 1 iso 1 dist 7.82157 8.72516 5.44942 5.15725 6.24487 5.1451 numMergedOcc 0
102 mol 289 unq 1 iso 0 dist 8.53689 12.4945 7.82157 7.5241 6.24487 5.15725 numMergedOcc 0
103 mol 289 unq 1 iso 1 dist 7.82157 12.4945 8.53689 5.15725 6.24487 7.5241 numMergedOcc 0
