0 mol 15 unq 0 iso 0 dist 9.97507 7.12903 5.90976 8.28153 6.49982 4.25929 9.03536 8.38064 8.21493 11.7793 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.82505 7.12903 5.51916 8.28153 3.78082 4.25929 9.03536 10.4158 8.21493 11.7793 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.51865 8.58657 6.74265 7.7312 4.44441 9.61438 7.07775 10.4091 9.80108 14.2009 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.864 8.58657 5.5841 7.7312 10.0411 9.61438 7.07775 7.20519 9.80108 14.2009 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 9.4278 7.93183 13.4402 7.08557 12.0187 9.33535 16.4015 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 9.4278 10.7675 13.4402 7.08557 10.1508 9.33535 16.4015 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 7.32874 6.40841 6.75888 8.34191 8.44881 3.8375 11.0466 13.4544 7.58407 9.9779 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 7.32874 6.40841 6.75888 8.34191 8.44881 3.8375 5.90225 9.55426 6.31428 9.79064 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 7.32874 6.40841 6.75888 6.39747 4.25144 6.11446 11.0466 13.4544 7.58407 13.5879 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 7.32874 6.40841 6.75888 6.39747 4.25144 6.11446 5.90225 9.55426 6.31428 10.307 numMergedOcc 0
10 mol 58 unq 6 iso 0 dist 6.86465 8.63333 6.47744 9.23438 4.59417 4.43437 5.35073 6.35756 8.89374 7.17488 numMergedOcc 0
11 mol 58 unq 7 iso 0 dist 6.86465 8.63333 6.47744 9.23438 4.59417 4.43437 10.8153 10.3224 6.46761 6.79356 numMergedOcc 0
12 mol 58 unq 8 iso 0 dist 6.86465 8.63333 6.47744 9.23438 4.59417 4.43437 14.5953 15.4557 9.73139 12.2384 numMergedOcc 0
13 mol 58 unq 9 iso 0 dist 6.35756 8.89374 6.47744 7.17488 4.59417 4.43437 5.35073 6.86465 8.63333 9.23438 numMergedOcc 0
14 mol 58 unq 10 iso 0 dist 6.35756 8.89374 6.47744 7.17488 4.59417 4.43437 8.62958 10.3224 6.46761 6.79356 numMergedOcc 0
15 mol 58 unq 11 iso 0 dist 6.35756 8.89374 6.47744 7.17488 4.59417 4.43437 14.176 15.4557 9.73139 12.2384 numMergedOcc 0
16 mol 58 unq 12 iso 0 dist 6.64012 6.46761 5.24906 6.79356 5.87468 4.43437 10.8153 13.497 8.63333 9.23438 numMergedOcc 0
17 mol 58 unq 13 iso 0 dist 6.64012 6.46761 5.24906 6.79356 5.87468 4.43437 8.62958 12.1902 8.89374 7.17488 numMergedOcc 0
18 mol 58 unq 14 iso 0 dist 6.64012 6.46761 5.24906 6.79356 5.87468 4.43437 6.47414 9.4099 9.73139 12.2384 numMergedOcc 0
19 mol 58 unq 15 iso 0 dist 6.64012 7.58407 5.11205 6.79356 5.87468 9.59066 11.0466 11.396 6.40841 14.8085 numMergedOcc 0
20 mol 58 unq 16 iso 0 dist 6.64012 7.58407 5.11205 6.79356 5.87468 9.59066 6.47414 9.4099 6.31428 12.2384 numMergedOcc 0
21 mol 58 unq 17 iso 0 dist 9.55426 8.26899 10.3782 9.4278 10.5901 13.4402 7.08557 12.7357 9.33535 16.4015 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 4.86198 5.21565 10.4337 5.36766 12.8385 8.624 8.26541 numMergedOcc 0
23 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 4.86198 10.7434 10.4337 5.36766 10.8086 8.624 8.26541 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 9.93438 6.25685 5.80637 5.59517 10.1027 7.52743 10.7946 numMergedOcc 0
25 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 5.39356 10.2024 6.92548 11.279 19.0925 6.192 11.2241 numMergedOcc 0
26 mol 127 unq 1 iso 0 dist 8.14887 8.59981 14.9761 5.39356 10.2024 6.92548 11.4958 18.4772 7.69308 13.1015 numMergedOcc 0
27 mol 127 unq 2 iso 0 dist 8.14887 8.59981 14.9761 5.39356 10.2024 6.92548 5.55757 12.8743 7.66331 5.01504 numMergedOcc 0
28 mol 127 unq 3 iso 0 dist 8.14887 8.59981 14.9761 9.92746 5.4328 16.8777 11.279 19.0925 6.192 20.6774 numMergedOcc 0
29 mol 127 unq 4 iso 0 dist 8.14887 8.59981 14.9761 9.92746 5.4328 16.8777 11.4958 18.4772 7.69308 21.3361 numMergedOcc 0
30 mol 127 unq 5 iso 0 dist 8.14887 8.59981 14.9761 9.92746 5.4328 16.8777 5.55757 12.8743 7.66331 12.7755 numMergedOcc 0
31 mol 127 unq 6 iso 0 dist 8.14887 7.34519 7.41404 5.39356 10.2024 5.87751 5.55757 12.8743 8.58999 5.01504 numMergedOcc 0
32 mol 127 unq 7 iso 0 dist 8.14887 7.34519 7.41404 5.39356 10.2024 5.87751 6.16471 11.3474 6.63981 6.80627 numMergedOcc 0
33 mol 127 unq 8 iso 0 dist 8.14887 7.34519 7.41404 9.92746 5.4328 5.08112 5.55757 12.8743 8.58999 12.7755 numMergedOcc 0
34 mol 127 unq 9 iso 0 dist 8.14887 7.34519 7.41404 9.92746 5.4328 5.08112 6.16471 11.3474 6.63981 9.86531 numMergedOcc 0
35 mol 127 unq 10 iso 0 dist 9.30299 8.59981 14.085 5.39356 12.7606 6.92548 11.279 17.6472 6.192 11.2241 numMergedOcc 0
36 mol 127 unq 11 iso 0 dist 9.30299 8.59981 14.085 5.39356 12.7606 6.92548 11.4958 15.0647 7.69308 13.1015 numMergedOcc 0
37 mol 127 unq 12 iso 0 dist 9.30299 8.59981 14.085 5.39356 12.7606 6.92548 5.55757 14.7391 7.66331 5.01504 numMergedOcc 0
38 mol 127 unq 13 iso 0 dist 9.30299 8.59981 14.085 9.92746 12.6193 16.8777 11.279 17.6472 6.192 20.6774 numMergedOcc 0
39 mol 127 unq 14 iso 0 dist 9.30299 8.59981 14.085 9.92746 12.6193 16.8777 11.4958 15.0647 7.69308 21.3361 numMergedOcc 0
40 mol 127 unq 15 iso 0 dist 9.30299 8.59981 14.085 9.92746 12.6193 16.8777 5.55757 14.7391 7.66331 12.7755 numMergedOcc 0
41 mol 127 unq 16 iso 0 dist 9.30299 7.34519 13.1312 5.39356 12.7606 5.87751 5.55757 14.7391 8.58999 5.01504 numMergedOcc 0
42 mol 127 unq 17 iso 0 dist 9.30299 7.34519 13.1312 5.39356 12.7606 5.87751 6.16471 14.9565 6.63981 6.80627 numMergedOcc 0
43 mol 127 unq 18 iso 0 dist 9.30299 7.34519 13.1312 9.92746 12.6193 5.08112 5.55757 14.7391 8.58999 12.7755 numMergedOcc 0
44 mol 127 unq 19 iso 0 dist 9.30299 7.34519 13.1312 9.92746 12.6193 5.08112 6.16471 14.9565 6.63981 9.86531 numMergedOcc 0
45 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 8.80895 11.6692 6.25029 6.63273 7.12972 8.6243 12.9064 numMergedOcc 0
46 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 5.77186 6.85721 5.82383 4.35917 11.5751 7.61505 9.72307 numMergedOcc 0
47 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 8.08965 4.75609 14.2299 9.85037 11.9862 9.43058 14.4487 numMergedOcc 0
48 mol 235 unq 1 iso 0 dist 5.4638 9.58736 9.66021 8.08965 4.75609 14.2299 13.6669 15.2592 8.75735 18.6146 numMergedOcc 0
49 mol 235 unq 2 iso 0 dist 5.4638 9.58736 9.66021 8.08965 4.75609 14.2299 16.4493 15.3051 6.98084 19.6952 numMergedOcc 0
50 mol 235 unq 3 iso 0 dist 5.4638 9.58736 9.66021 8.08965 4.75609 14.2299 15.4 16.4776 7.32211 21.1783 numMergedOcc 0
51 mol 256 unq 0 iso 0 dist 8.29103 5.24676 4.22352 4.80903 5.08421 3.89364 9.92128 11.4761 8.09363 9.59773 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 5.30224 8.37865 5.31048 9.18798 5.96249 10.5148 12.5353 12.0576 7.48005 17.2404 numMergedOcc 0
53 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 8.25897 5.97386 11.0001 12.5353 12.0576 7.48005 17.9677 numMergedOcc 0
