0 mol 13 unq 0 iso 0 dist 8.26888 8.2164 5.86973 5.15437 10.6752 8.12105 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.7961 5.63207 5.41731 6.15285 10.8612 7.32913 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.24284 7.65981 5.54298 8.24859 10.7544 8.11345 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.48746 8.71324 11.1165 10.7791 16.0779 8.86433 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 6.48746 9.5663 7.89444 12.0987 9.82294 5.66803 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.75708 9.23755 6.17006 10.3397 12.7722 7.58027 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.75708 9.23755 6.17006 8.31117 9.0383 4.34694 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.31349 9.48319 15.0353 6.77806 14.386 7.72515 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 7.61666 9.48319 11.9566 6.77806 12.9318 7.72515 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.26954 7.40582 9.5797 15.2733 15.614 8.15664 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 9.46876 6.88033 5.95661 4.81647 13.0712 8.51572 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 9.14875 6.44313 6.25432 10.5333 13.8174 8.9864 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.78 5.19029 7.01552 5.92304 13.1705 7.57031 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 6.88947 8.82945 4.65303 7.41218 5.21088 7.36571 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 6.88947 8.82945 4.65303 16.7139 12.3136 9.80122 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 6.88947 8.82945 4.65303 14.6803 8.25609 9.17137 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.51112 8.3941 12.1909 8.14211 13.0457 5.61326 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.19343 6.58174 7.51586 10.9794 11.5711 6.20044 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.19343 6.58174 7.51586 9.00243 13.9015 8.41232 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 8.90607 9.0815 10.4228 7.03455 12.0946 6.52136 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 6.3344 9.20752 9.4614 9.95813 13.5702 9.07668 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 6.62404 5.60195 4.68697 5.84371 12.1871 9.89039 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 6.62404 5.60195 4.68697 12.9073 12.0906 8.57174 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 9.37847 7.87359 4.68697 4.72275 12.1871 9.89039 numMergedOcc 0
24 mol 220 unq 3 iso 0 dist 9.37847 7.87359 4.68697 15.2936 12.0906 8.57174 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 9.31677 6.3687 9.96567 4.52889 9.03261 8.74399 numMergedOcc 0
26 mol 240 unq 0 iso 0 dist 8.96064 7.84314 9.80287 8.48707 13.2623 7.19218 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 5.66945 7.16232 4.84498 7.52886 9.12236 7.26758 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 8.07113 6.93654 11.7215 4.95392 12.7797 7.58385 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 8.07113 6.93654 11.7215 6.94755 12.4826 6.0437 numMergedOcc 0
30 mol 261 unq 2 iso 0 dist 8.07113 9.66298 13.4973 6.94755 12.4826 4.85199 numMergedOcc 0
31 mol 261 unq 3 iso 0 dist 8.07113 9.66298 13.4973 17.3605 21.6189 9.72159 numMergedOcc 0
32 mol 271 unq 0 iso 0 dist 9.27556 7.34621 9.68021 7.6271 15.7754 9.00071 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 5.77107 4.49395 6.37482 9.47966 13.5396 7.872 numMergedOcc 0
34 mol 285 unq 1 iso 0 dist 5.77107 4.49395 6.37482 6.49869 7.38536 6.32984 numMergedOcc 0
