0 mol 13 unq 0 iso 0 dist 7.68531 8.54188 8.5226 5.27699 7.44816 6.94397 10.3134 6.00107 6.54276 6.791 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.29578 10.352 8.45034 9.58891 9.4228 13.3556 5.86076 6.29237 12.5691 4.95725 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.29578 10.352 8.45034 9.58891 9.4228 13.3556 8.72513 9.24286 16.0182 5.84217 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 4.82824 3.61874 7.70787 8.21111 5.62694 10.9651 7.34653 8.31317 10.0714 6.41115 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 7.06322 9.06016 8.83855 9.85159 7.02709 8.49615 4.05182 6.71858 6.31693 10.1994 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 7.06322 9.06016 8.83855 9.85159 7.02709 8.49615 4.11617 9.37159 13.1278 12.9752 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.6738 12.0115 9.43487 11.224 5.82487 11.0812 7.16792 6.41507 13.1684 8.1057 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 5.6738 12.0115 9.43487 11.224 5.82487 11.0812 7.6316 6.03035 8.60362 8.01602 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 5.6738 13.077 9.97052 11.224 5.82487 8.67499 7.16792 6.41507 9.20774 8.1057 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 5.6738 13.077 9.97052 11.224 5.82487 8.67499 7.6316 6.03035 5.56591 8.01602 numMergedOcc 0
10 mol 113 unq 4 iso 0 dist 5.6738 12.0928 7.3324 11.224 5.82487 5.19652 7.16792 6.41507 10.6893 8.1057 numMergedOcc 0
11 mol 113 unq 5 iso 0 dist 5.6738 12.0928 7.3324 11.224 5.82487 5.19652 7.6316 6.03035 12.0012 8.01602 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.99965 10.0631 9.33272 5.48717 9.83935 14.7094 6.7954 7.54492 3.6848 11.0961 numMergedOcc 0
13 mol 219 unq 0 iso 0 dist 9.72263 9.58042 8.15287 9.63443 7.68645 5.0241 9.45086 6.44817 8.72864 11.3569 numMergedOcc 0
14 mol 219 unq 1 iso 0 dist 9.72263 9.58042 8.15287 9.63443 7.68645 5.0241 9.24289 9.36547 12.8837 9.13819 numMergedOcc 0
15 mol 219 unq 2 iso 0 dist 9.72263 9.58042 8.15287 7.12445 5.75017 4.36122 9.45086 6.44817 8.72864 4.78402 numMergedOcc 0
16 mol 219 unq 3 iso 0 dist 9.72263 9.58042 8.15287 7.12445 5.75017 4.36122 9.24289 9.36547 12.8837 11.6561 numMergedOcc 0
17 mol 219 unq 4 iso 0 dist 9.72263 9.58042 8.15287 12.5322 6.12768 14.0703 9.45086 6.44817 8.72864 8.8527 numMergedOcc 0
18 mol 219 unq 5 iso 0 dist 9.72263 9.58042 8.15287 12.5322 6.12768 14.0703 9.24289 9.36547 12.8837 11.1178 numMergedOcc 0
19 mol 219 unq 6 iso 0 dist 9.72263 9.58042 8.15287 9.22518 7.19159 13.25 9.45086 6.44817 8.72864 11.4193 numMergedOcc 0
20 mol 219 unq 7 iso 0 dist 9.72263 9.58042 8.15287 9.22518 7.19159 13.25 9.24289 9.36547 12.8837 4.72332 numMergedOcc 0
21 mol 219 unq 8 iso 0 dist 9.72263 12.8131 8.72341 9.63443 7.68645 14.1934 9.45086 6.44817 12.6546 11.3569 numMergedOcc 0
22 mol 219 unq 9 iso 0 dist 9.72263 12.8131 8.72341 9.63443 7.68645 14.1934 9.24289 9.36547 8.54055 9.13819 numMergedOcc 0
23 mol 219 unq 10 iso 0 dist 9.72263 12.8131 8.72341 7.12445 5.75017 13.288 9.45086 6.44817 12.6546 4.78402 numMergedOcc 0
24 mol 219 unq 11 iso 0 dist 9.72263 12.8131 8.72341 7.12445 5.75017 13.288 9.24289 9.36547 8.54055 11.6561 numMergedOcc 0
25 mol 219 unq 12 iso 0 dist 9.72263 12.8131 8.72341 12.5322 6.12768 4.95329 9.45086 6.44817 12.6546 8.8527 numMergedOcc 0
26 mol 219 unq 13 iso 0 dist 9.72263 12.8131 8.72341 12.5322 6.12768 4.95329 9.24289 9.36547 8.54055 11.1178 numMergedOcc 0
27 mol 219 unq 14 iso 0 dist 9.72263 12.8131 8.72341 9.22518 7.19159 4.26247 9.45086 6.44817 12.6546 11.4193 numMergedOcc 0
28 mol 219 unq 15 iso 0 dist 9.72263 12.8131 8.72341 9.22518 7.19159 4.26247 9.24289 9.36547 8.54055 4.72332 numMergedOcc 0
29 mol 219 unq 16 iso 0 dist 9.65487 13.0508 8.15287 13.5278 7.68645 5.0241 8.10855 6.44817 8.72864 11.3569 numMergedOcc 0
30 mol 219 unq 17 iso 0 dist 9.65487 13.0508 8.15287 13.5278 7.68645 5.0241 11.1295 9.36547 12.8837 9.13819 numMergedOcc 0
31 mol 219 unq 18 iso 0 dist 9.65487 13.0508 8.15287 9.05006 5.75017 4.36122 8.10855 6.44817 8.72864 4.78402 numMergedOcc 0
32 mol 219 unq 19 iso 0 dist 9.65487 13.0508 8.15287 9.05006 5.75017 4.36122 11.1295 9.36547 12.8837 11.6561 numMergedOcc 0
33 mol 219 unq 20 iso 0 dist 9.65487 13.0508 8.15287 9.3707 6.12768 14.0703 8.10855 6.44817 8.72864 8.8527 numMergedOcc 0
34 mol 219 unq 21 iso 0 dist 9.65487 13.0508 8.15287 9.3707 6.12768 14.0703 11.1295 9.36547 12.8837 11.1178 numMergedOcc 0
35 mol 219 unq 22 iso 0 dist 9.65487 13.0508 8.15287 8.41263 7.19159 13.25 8.10855 6.44817 8.72864 11.4193 numMergedOcc 0
36 mol 219 unq 23 iso 0 dist 9.65487 13.0508 8.15287 8.41263 7.19159 13.25 11.1295 9.36547 12.8837 4.72332 numMergedOcc 0
37 mol 219 unq 24 iso 0 dist 9.65487 10.1996 8.72341 13.5278 7.68645 14.1934 8.10855 6.44817 12.6546 11.3569 numMergedOcc 0
38 mol 219 unq 25 iso 0 dist 9.65487 10.1996 8.72341 13.5278 7.68645 14.1934 11.1295 9.36547 8.54055 9.13819 numMergedOcc 0
39 mol 219 unq 26 iso 0 dist 9.65487 10.1996 8.72341 9.05006 5.75017 13.288 8.10855 6.44817 12.6546 4.78402 numMergedOcc 0
40 mol 219 unq 27 iso 0 dist 9.65487 10.1996 8.72341 9.05006 5.75017 13.288 11.1295 9.36547 8.54055 11.6561 numMergedOcc 0
41 mol 219 unq 28 iso 0 dist 9.65487 10.1996 8.72341 9.3707 6.12768 4.95329 8.10855 6.44817 12.6546 8.8527 numMergedOcc 0
42 mol 219 unq 29 iso 0 dist 9.65487 10.1996 8.72341 9.3707 6.12768 4.95329 11.1295 9.36547 8.54055 11.1178 numMergedOcc 0
43 mol 219 unq 30 iso 0 dist 9.65487 10.1996 8.72341 8.41263 7.19159 4.26247 8.10855 6.44817 12.6546 11.4193 numMergedOcc 0
44 mol 219 unq 31 iso 0 dist 9.65487 10.1996 8.72341 8.41263 7.19159 4.26247 11.1295 9.36547 8.54055 4.72332 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 7.64453 9.99556 6.08044 16.3901 9.29241 9.67708 14.1553 9.62446 10.8556 14.0303 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 7.64453 9.99556 6.08044 16.3901 9.29241 9.67708 4.60276 9.99681 10.4719 18.685 numMergedOcc 0
47 mol 287 unq 2 iso 0 dist 7.64453 7.32623 8.8956 16.3901 9.29241 15.5716 14.1553 9.62446 12.7029 14.0303 numMergedOcc 0
48 mol 287 unq 3 iso 0 dist 7.64453 7.32623 8.8956 16.3901 9.29241 15.5716 4.60276 9.99681 5.57075 18.685 numMergedOcc 0
49 mol 288 unq 0 iso 0 dist 7.64453 9.99556 6.08044 16.3901 9.29241 9.67708 14.1553 9.62446 10.8556 14.0303 numMergedOcc 0
50 mol 288 unq 1 iso 0 dist 7.64453 9.99556 6.08044 16.3901 9.29241 9.67708 4.60276 9.99681 10.4719 18.685 numMergedOcc 0
51 mol 288 unq 2 iso 0 dist 7.64453 7.32623 8.8956 16.3901 9.29241 15.5716 14.1553 9.62446 12.7029 14.0303 numMergedOcc 0
52 mol 288 unq 3 iso 0 dist 7.64453 7.32623 8.8956 16.3901 9.29241 15.5716 4.60276 9.99681 5.57075 18.685 numMergedOcc 0
53 mol 289 unq 0 iso 0 dist 7.64453 9.99556 6.08044 16.3901 9.29241 9.67708 14.1553 9.62446 10.8556 14.0303 numMergedOcc 0
54 mol 289 unq 1 iso 0 dist 7.64453 9.99556 6.08044 16.3901 9.29241 9.67708 4.60276 9.99681 10.4719 18.685 numMergedOcc 0
55 mol 289 unq 2 iso 0 dist 7.64453 7.32623 8.8956 16.3901 9.29241 15.5716 14.1553 9.62446 12.7029 14.0303 numMergedOcc 0
56 mol 289 unq 3 iso 0 dist 7.64453 7.32623 8.8956 16.3901 9.29241 15.5716 4.60276 9.99681 5.57075 18.685 numMergedOcc 0
