0 mol 0 unq 0 iso 0 dist 8.24206 5.25456 7.37981 9.56842 7.30381 5.24778 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 9.08872 9.97525 9.58976 5.30739 9.9859 12.4493 numMergedOcc 0
2 mol 2 unq 1 iso 0 dist 9.08872 3.9935 9.57645 5.30739 9.9859 7.11137 numMergedOcc 0
3 mol 2 unq 2 iso 0 dist 9.74371 9.97525 6.35342 5.30739 9.57674 12.4493 numMergedOcc 0
4 mol 2 unq 3 iso 0 dist 7.37296 11.2776 9.58976 15.0954 9.9859 12.4493 numMergedOcc 0
5 mol 2 unq 4 iso 0 dist 7.37296 11.0228 9.57645 15.0954 9.9859 7.11137 numMergedOcc 0
6 mol 7 unq 0 iso 0 dist 9.67498 15.0231 9.85726 8.88491 8.94586 16.4469 numMergedOcc 0
7 mol 7 unq 1 iso 0 dist 9.32945 17.302 9.85726 11.8191 8.94586 16.4469 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 5.86972 7.46414 9.23576 5.60016 9.18985 11.3707 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 8.28883 5.72813 7.54318 8.91456 9.46554 7.45459 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 8.30431 6.32949 9.62468 10.8154 9.32664 15.5028 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.60363 10.8067 9.72442 15.52 9.53327 10.1488 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.60363 16.3515 9.02288 15.52 9.53327 14.6243 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 9.27331 10.163 9.72442 6.41591 9.53327 10.1488 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 9.27331 12.3394 9.02288 6.41591 9.53327 14.6243 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 9.35633 16.255 9.59261 5.62004 4.96613 11.3905 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.35633 9.75148 6.67936 5.62004 4.96613 4.67519 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 9.35633 15.2099 8.25817 5.62004 4.96613 10.4027 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.11187 6.67262 6.78459 12.8792 9.95103 7.16919 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 6.60356 9.96864 6.78459 10.0156 9.95103 7.16919 numMergedOcc 0
20 mol 108 unq 0 iso 0 dist 9.32474 5.60268 7.29462 9.54469 6.80069 10.1805 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.07294 13.1243 8.84018 12.7741 8.70392 17.168 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 7.50126 15.9524 8.84018 6.52556 8.70392 17.168 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 6.4737 7.20811 9.74498 11.2656 9.06844 14.4624 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 10.3139 9.27911 15.6247 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 6.21546 5.73338 8.69888 7.04147 8.57607 12.7456 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 4.38798 5.67112 7.16549 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 6.47689 4.681 6.43406 5.39949 6.66608 5.48529 numMergedOcc 0
28 mol 182 unq 0 iso 0 dist 8.94671 4.85077 7.86625 12.3479 9.68323 7.68794 numMergedOcc 0
29 mol 183 unq 0 iso 0 dist 6.21267 11.4393 7.31181 6.19534 5.5781 6.59099 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 7.41743 6.81609 7.31181 5.59412 5.5781 6.59099 numMergedOcc 0
31 mol 199 unq 0 iso 0 dist 9.88917 11.2655 8.68505 8.14324 9.43695 5.63124 numMergedOcc 0
32 mol 199 unq 1 iso 0 dist 9.56785 5.60906 9.60407 8.14324 8.32753 5.59178 numMergedOcc 0
33 mol 206 unq 0 iso 0 dist 8.63033 12.1408 9.72979 4.77368 6.69623 11.7977 numMergedOcc 0
34 mol 206 unq 1 iso 0 dist 8.63033 9.19627 6.97859 4.77368 6.69623 10.4747 numMergedOcc 0
35 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 6.15611 8.87054 18.0887 numMergedOcc 0
36 mol 210 unq 1 iso 0 dist 9.00343 12.3088 9.67457 10.7435 8.87054 18.0887 numMergedOcc 0
37 mol 210 unq 2 iso 0 dist 6.41444 13.3774 9.67457 7.26107 8.87054 18.0887 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 7.47122 15.4433 9.75313 5.93235 6.48885 10.7174 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 6.6537 4.55824 9.75313 6.66792 6.48885 10.7174 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 7.58998 6.87755 6.23882 5.54596 8.81349 9.2363 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 5.2851 5.14019 9.18675 7.15779 8.61546 10.8138 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 5.2851 5.14019 9.18675 6.10844 7.17024 9.98177 numMergedOcc 0
43 mol 230 unq 0 iso 0 dist 6.23346 9.6645 9.54235 7.30348 7.48445 9.42172 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 6.00654 10.1196 9.37996 5.86546 5.4347 6.82989 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 11.4974 9.69025 8.41846 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 8.73077 16.6797 9.58006 11.4974 9.69025 8.81835 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 6.76656 10.908 6.77279 7.39099 9.69025 8.41846 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 6.76656 12.7595 9.58006 7.39099 9.69025 8.81835 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.07452 6.11218 7.80446 16.1753 8.30714 13.0115 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 9.07452 11.3921 9.86142 16.1753 8.30714 11.5044 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 6.44266 6.98398 7.80446 7.28382 8.30714 13.0115 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 6.44266 6.99898 9.86142 7.28382 8.30714 11.5044 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 8.81903 5.28949 6.60309 5.20184 7.88479 6.61689 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 6.23539 6.13402 8.57532 5.41599 5.92532 6.82888 numMergedOcc 0
55 mol 277 unq 2 iso 0 dist 6.23539 6.16829 9.02914 5.41599 5.92532 4.37645 numMergedOcc 0
56 mol 277 unq 3 iso 0 dist 6.23539 7.44724 6.90434 5.41599 5.92532 7.70529 numMergedOcc 0
57 mol 278 unq 0 iso 0 dist 8.87405 8.66976 9.82774 7.3159 8.20933 14.3412 numMergedOcc 0
58 mol 285 unq 0 iso 0 dist 4.74716 5.93692 8.71213 6.15563 8.7964 10.4903 numMergedOcc 0
59 mol 285 unq 1 iso 0 dist 4.74716 5.93692 8.71213 5.52409 7.24072 11.2696 numMergedOcc 0
