0 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 9.42167 8.80127 7.6222 12.1061 8.4051 5.11617 3.4435 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 9.42167 8.80127 7.6222 6.53276 8.23446 13.1779 12.6622 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 9.42167 8.80127 7.6222 6.81998 8.75662 10.8238 7.63657 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 9.42167 8.80127 11.7026 12.1061 8.4051 13.2229 3.4435 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.54519 5.80023 7.36323 9.42167 8.80127 11.7026 6.53276 8.23446 6.38336 12.6622 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.54519 5.80023 7.36323 9.42167 8.80127 11.7026 6.81998 8.75662 6.7828 7.63657 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 6.11056 10.4744 8.86116 7.81237 6.07553 5.86882 11.095 8.60554 8.52463 11.3314 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 6.11056 10.4744 8.86116 7.81237 6.07553 5.86882 4.04757 8.44664 10.971 7.262 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 6.11056 10.4744 8.86116 7.81237 6.07553 5.86882 6.66757 9.44691 13.4893 13.1723 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 6.11056 10.4744 8.86116 9.25124 6.48457 9.9259 11.095 8.60554 8.52463 3.4435 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 6.11056 10.4744 8.86116 9.25124 6.48457 9.9259 4.04757 8.44664 10.971 12.7748 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 6.11056 10.4744 8.86116 9.25124 6.48457 9.9259 6.66757 9.44691 13.4893 7.63657 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 6.11056 6.9756 8.38394 7.81237 6.07553 3.96228 11.095 8.60554 12.3994 11.3314 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 6.11056 6.9756 8.38394 7.81237 6.07553 3.96228 4.04757 8.44664 5.30734 7.262 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 6.11056 6.9756 8.38394 7.81237 6.07553 3.96228 6.66757 9.44691 12.505 13.1723 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 6.11056 6.9756 8.38394 9.25124 6.48457 12.2071 11.095 8.60554 12.3994 3.4435 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 6.11056 6.9756 8.38394 9.25124 6.48457 12.2071 4.04757 8.44664 5.30734 12.7748 numMergedOcc 0
17 mol 24 unq 17 iso 0 dist 6.11056 6.9756 8.38394 9.25124 6.48457 12.2071 6.66757 9.44691 12.505 7.63657 numMergedOcc 0
18 mol 54 unq 0 iso 0 dist 5.97635 10.7219 9.5589 13.3721 8.58658 14.436 11.5332 7.21717 15.293 3.8037 numMergedOcc 0
19 mol 54 unq 1 iso 0 dist 5.97635 6.76462 6.83299 13.3721 8.58658 14.3129 11.5332 7.21717 13.86 3.8037 numMergedOcc 0
20 mol 54 unq 2 iso 0 dist 5.97635 13.2619 8.10861 13.3721 8.58658 7.98156 11.5332 7.21717 5.99981 3.8037 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 13.9506 8.81824 6.62562 3.88757 7.54568 10.2865 13.2941 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 13.9506 8.81824 5.46695 3.88757 7.54568 8.09967 13.2941 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 13.9506 8.81824 11.3211 3.88757 7.54568 4.65335 13.2941 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 6.3954 5.94552 4.38244 11.2266 8.8822 10.1816 13.1665 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 6.3954 5.94552 4.38244 9.01097 9.66219 8.42718 12.3067 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 9.70455 7.23959 9.73907 3.99238 6.03688 8.15057 9.6084 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 9.70455 7.23959 12.3578 3.99238 6.03688 12.4957 9.6084 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 5.96555 5.87892 7.80463 9.70455 7.23959 6.06996 3.99238 6.03688 6.09749 9.6084 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 18.0054 9.73419 8.77621 10.9922 6.16414 6.45859 7.87274 numMergedOcc 0
30 mol 206 unq 1 iso 0 dist 9.36079 13.6173 7.7366 18.0054 9.73419 8.77621 9.89331 7.33701 4.40897 12.04 numMergedOcc 0
31 mol 206 unq 2 iso 0 dist 9.36079 13.6173 7.7366 18.0054 9.73419 8.77621 8.83984 8.0871 7.62219 15.182 numMergedOcc 0
32 mol 206 unq 3 iso 0 dist 9.36079 13.6173 7.7366 7.99847 9.99824 10.2691 10.9922 6.16414 6.45859 6.55611 numMergedOcc 0
33 mol 206 unq 4 iso 0 dist 9.36079 13.6173 7.7366 7.99847 9.99824 10.2691 9.89331 7.33701 4.40897 7.22859 numMergedOcc 0
34 mol 206 unq 5 iso 0 dist 9.36079 13.6173 7.7366 7.99847 9.99824 10.2691 8.83984 8.0871 7.62219 9.80396 numMergedOcc 0
35 mol 206 unq 6 iso 0 dist 7.42904 9.96254 7.7366 15.3124 9.73419 8.77621 8.16827 6.16414 6.45859 7.87274 numMergedOcc 0
36 mol 206 unq 7 iso 0 dist 7.42904 9.96254 7.7366 15.3124 9.73419 8.77621 6.06766 7.33701 4.40897 12.04 numMergedOcc 0
37 mol 206 unq 8 iso 0 dist 7.42904 9.96254 7.7366 15.3124 9.73419 8.77621 5.82916 8.0871 7.62219 15.182 numMergedOcc 0
38 mol 206 unq 9 iso 0 dist 7.42904 9.96254 7.7366 5.70517 9.99824 10.2691 8.16827 6.16414 6.45859 6.55611 numMergedOcc 0
39 mol 206 unq 10 iso 0 dist 7.42904 9.96254 7.7366 5.70517 9.99824 10.2691 6.06766 7.33701 4.40897 7.22859 numMergedOcc 0
40 mol 206 unq 11 iso 0 dist 7.42904 9.96254 7.7366 5.70517 9.99824 10.2691 5.82916 8.0871 7.62219 9.80396 numMergedOcc 0
41 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 11.1449 8.36659 6.24593 12.979 7.67576 10.3151 5.5933 numMergedOcc 0
42 mol 222 unq 1 iso 0 dist 9.55777 6.54251 8.01589 11.1449 8.36659 6.24593 4.05539 9.82371 8.52017 10.9135 numMergedOcc 0
43 mol 222 unq 2 iso 0 dist 9.55777 6.54251 8.01589 12.0019 9.18913 6.80274 12.979 7.67576 10.3151 13.2849 numMergedOcc 0
44 mol 222 unq 3 iso 0 dist 9.55777 6.54251 8.01589 12.0019 9.18913 6.80274 4.05539 9.82371 8.52017 14.5433 numMergedOcc 0
45 mol 222 unq 4 iso 0 dist 9.55777 15.3892 7.7699 11.1449 8.36659 7.27562 12.979 7.67576 7.81022 5.5933 numMergedOcc 0
46 mol 222 unq 5 iso 0 dist 9.55777 15.3892 7.7699 11.1449 8.36659 7.27562 4.05539 9.82371 15.7504 10.9135 numMergedOcc 0
47 mol 222 unq 6 iso 0 dist 9.55777 15.3892 7.7699 12.0019 9.18913 8.72187 12.979 7.67576 7.81022 13.2849 numMergedOcc 0
48 mol 222 unq 7 iso 0 dist 9.55777 15.3892 7.7699 12.0019 9.18913 8.72187 4.05539 9.82371 15.7504 14.5433 numMergedOcc 0
49 mol 222 unq 8 iso 0 dist 9.55777 16.4881 7.21333 11.1449 8.36659 10.367 12.979 7.67576 7.75656 5.5933 numMergedOcc 0
50 mol 222 unq 9 iso 0 dist 9.55777 16.4881 7.21333 11.1449 8.36659 10.367 4.05539 9.82371 16.0949 10.9135 numMergedOcc 0
51 mol 222 unq 10 iso 0 dist 9.55777 16.4881 7.21333 12.0019 9.18913 12.4303 12.979 7.67576 7.75656 13.2849 numMergedOcc 0
52 mol 222 unq 11 iso 0 dist 9.55777 16.4881 7.21333 12.0019 9.18913 12.4303 4.05539 9.82371 16.0949 14.5433 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 7.08451 6.40086 6.16261 4.21811 6.02296 6.35849 5.78036 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 7.46434 13.0285 8.41436 16.616 9.18589 10.3659 6.06471 6.30154 7.44558 14.0878 numMergedOcc 0
55 mol 234 unq 1 iso 0 dist 7.46434 13.0285 8.41436 16.616 9.18589 10.3659 11.1213 7.32499 10.7902 11.7131 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 7.46434 13.9912 8.92474 16.616 9.18589 10.4355 6.06471 6.30154 10.9712 14.0878 numMergedOcc 0
57 mol 234 unq 3 iso 0 dist 7.46434 13.9912 8.92474 16.616 9.18589 10.4355 11.1213 7.32499 4.4288 11.7131 numMergedOcc 0
58 mol 234 unq 4 iso 0 dist 7.50424 6.88707 8.41436 3.52422 9.18589 10.3659 11.2248 6.30154 7.44558 14.0878 numMergedOcc 0
59 mol 234 unq 5 iso 0 dist 7.50424 6.88707 8.41436 3.52422 9.18589 10.3659 10.6488 7.32499 10.7902 11.7131 numMergedOcc 0
60 mol 234 unq 6 iso 0 dist 7.50424 8.96936 8.92474 3.52422 9.18589 10.4355 11.2248 6.30154 10.9712 14.0878 numMergedOcc 0
61 mol 234 unq 7 iso 0 dist 7.50424 8.96936 8.92474 3.52422 9.18589 10.4355 10.6488 7.32499 4.4288 11.7131 numMergedOcc 0
62 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 16.2395 8.48407 14.5632 7.28197 5.93616 7.52936 10.7977 numMergedOcc 0
