0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 16.9034 8.77457 4.94497 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 14.678 6.24978 16.9034 8.77457 5.61772 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.95165 17.3707 9.66439 16.9034 8.77457 10.4848 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.95165 12.915 7.3915 16.9034 8.77457 14.1378 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.29595 11.8626 9.27637 16.5531 8.55446 15.0681 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 8.29595 11.8626 9.27637 14.2823 6.59455 11.8296 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 8.29595 11.8626 9.27637 11.69 5.71201 5.67536 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 9.23617 11.8354 7.48847 12.9223 6.39966 6.42867 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 12.9223 6.39966 4.97119 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 9.23617 10.38 6.36455 12.9223 6.39966 6.01808 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 8.59114 5.67097 7.48847 10.8426 6.39966 6.42867 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 8.59114 14.3476 6.92532 10.8426 6.39966 4.97119 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 8.59114 12.7 6.36455 10.8426 6.39966 6.01808 numMergedOcc 0
13 mol 19 unq 6 iso 0 dist 8.63204 15.2051 7.48847 10.5195 6.39966 6.42867 numMergedOcc 0
14 mol 19 unq 7 iso 0 dist 8.63204 6.57145 6.92532 10.5195 6.39966 4.97119 numMergedOcc 0
15 mol 19 unq 8 iso 0 dist 8.63204 6.01189 6.36455 10.5195 6.39966 6.01808 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 10.7574 9.69752 4.32034 numMergedOcc 0
17 mol 24 unq 1 iso 0 dist 4.61828 9.20254 6.60423 12.8157 9.36461 8.52463 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 4.61828 8.8926 7.83786 10.7574 9.69752 9.6469 numMergedOcc 0
19 mol 24 unq 3 iso 0 dist 4.61828 8.8926 7.83786 12.8157 9.36461 14.6654 numMergedOcc 0
20 mol 53 unq 0 iso 0 dist 8.83047 14.3035 7.09169 12.4655 7.75295 5.09224 numMergedOcc 0
21 mol 53 unq 1 iso 0 dist 6.95013 5.02495 7.09169 7.96384 7.75295 5.09224 numMergedOcc 0
22 mol 60 unq 0 iso 0 dist 7.4674 12.6215 9.96399 9.42123 4.65127 11.2415 numMergedOcc 0
23 mol 60 unq 1 iso 0 dist 7.4674 12.7297 7.55695 9.42123 4.65127 5.94827 numMergedOcc 0
24 mol 60 unq 2 iso 0 dist 7.4674 14.5723 8.82176 9.42123 4.65127 5.32257 numMergedOcc 0
25 mol 60 unq 3 iso 0 dist 8.4928 5.09908 9.96399 11.6385 4.65127 11.2415 numMergedOcc 0
26 mol 60 unq 4 iso 0 dist 8.4928 10.0675 7.55695 11.6385 4.65127 5.94827 numMergedOcc 0
27 mol 60 unq 5 iso 0 dist 8.4928 14.3334 8.82176 11.6385 4.65127 5.32257 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 8.91206 12.3394 8.03303 6.41591 7.62738 14.6243 numMergedOcc 0
29 mol 73 unq 1 iso 0 dist 8.67513 14.4506 8.03303 9.55939 7.62738 14.6243 numMergedOcc 0
30 mol 75 unq 0 iso 0 dist 6.59253 8.82267 7.9233 6.05353 7.6433 5.38908 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 10.0156 9.5669 9.75737 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 9.08671 13.2962 8.67766 6.21014 6.76575 7.20706 numMergedOcc 0
33 mol 109 unq 1 iso 0 dist 9.08671 10.223 8.0831 6.21014 6.76575 5.35728 numMergedOcc 0
34 mol 114 unq 0 iso 0 dist 7.73842 5.24877 6.34525 14.9324 9.35942 12.7083 numMergedOcc 0
35 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 15.2909 8.8562 7.20179 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 4.96177 7.91683 9.89358 numMergedOcc 0
37 mol 126 unq 0 iso 0 dist 7.68174 13.9162 9.46588 8.31794 5.94233 6.0268 numMergedOcc 0
38 mol 126 unq 1 iso 0 dist 7.68174 13.9162 9.46588 9.33341 8.56219 8.01268 numMergedOcc 0
39 mol 158 unq 0 iso 0 dist 7.24115 13.5328 7.88319 9.21335 6.76055 6.4079 numMergedOcc 0
40 mol 158 unq 1 iso 0 dist 7.24115 13.5328 7.88319 13.1807 9.36343 4.25067 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 5.80701 7.46987 9.74148 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 4.97005 10.0248 7.24795 5.80701 7.46987 7.30024 numMergedOcc 0
43 mol 186 unq 2 iso 0 dist 4.97005 9.14781 8.64409 5.80701 7.46987 11.6919 numMergedOcc 0
44 mol 186 unq 3 iso 0 dist 4.97005 6.69897 7.60202 5.80701 7.46987 5.3967 numMergedOcc 0
45 mol 188 unq 0 iso 0 dist 8.8513 7.63908 8.47347 5.20086 5.73306 6.43967 numMergedOcc 0
46 mol 188 unq 1 iso 0 dist 9.53031 7.63236 8.47347 10.4355 5.73306 6.43967 numMergedOcc 0
47 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 4.44921 5.68348 11.6598 numMergedOcc 0
48 mol 194 unq 1 iso 0 dist 8.63008 15.3582 8.12346 4.44921 5.68348 12.0887 numMergedOcc 0
49 mol 194 unq 2 iso 0 dist 8.63008 10.977 8.83356 4.44921 5.68348 7.11753 numMergedOcc 0
50 mol 194 unq 3 iso 0 dist 8.63008 16.6746 8.2654 4.44921 5.68348 12.8755 numMergedOcc 0
51 mol 210 unq 0 iso 0 dist 9.05206 8.99603 7.63018 11.9731 5.57779 5.85636 numMergedOcc 0
52 mol 210 unq 1 iso 0 dist 9.05206 8.99603 7.63018 10.4089 7.05649 10.0337 numMergedOcc 0
53 mol 210 unq 2 iso 0 dist 9.05206 8.99603 7.63018 4.78637 6.78579 7.67559 numMergedOcc 0
54 mol 222 unq 0 iso 0 dist 9.04499 15.0199 9.2581 13.0565 9.08955 5.89689 numMergedOcc 0
55 mol 222 unq 1 iso 0 dist 9.04499 15.0199 9.2581 15.9525 8.88664 8.92719 numMergedOcc 0
56 mol 222 unq 2 iso 0 dist 9.04499 15.0199 9.2581 15.2255 7.16819 5.82526 numMergedOcc 0
57 mol 222 unq 3 iso 0 dist 9.04499 8.88 9.62632 13.0565 9.08955 10.6944 numMergedOcc 0
58 mol 222 unq 4 iso 0 dist 9.04499 8.88 9.62632 15.9525 8.88664 15.4372 numMergedOcc 0
59 mol 222 unq 5 iso 0 dist 9.04499 8.88 9.62632 15.2255 7.16819 12.9388 numMergedOcc 0
60 mol 222 unq 6 iso 0 dist 9.04499 5.68063 7.862 13.0565 9.08955 7.75466 numMergedOcc 0
61 mol 222 unq 7 iso 0 dist 9.04499 5.68063 7.862 15.9525 8.88664 12.1951 numMergedOcc 0
62 mol 222 unq 8 iso 0 dist 9.04499 5.68063 7.862 15.2255 7.16819 11.6161 numMergedOcc 0
63 mol 225 unq 0 iso 0 dist 8.768 6.89798 6.6561 12.7912 8.20162 7.17211 numMergedOcc 0
64 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 8.64133 9.18635 10.2227 numMergedOcc 0
65 mol 272 unq 1 iso 0 dist 7.11691 9.87214 6.88809 8.64133 9.18635 5.02308 numMergedOcc 0
66 mol 272 unq 2 iso 0 dist 7.11691 5.27123 8.46061 8.64133 9.18635 6.32008 numMergedOcc 0
67 mol 279 unq 0 iso 0 dist 8.84798 13.8061 8.29305 10.8394 9.30921 9.37316 numMergedOcc 0
68 mol 279 unq 1 iso 0 dist 8.84798 7.7504 6.43341 10.8394 9.30921 5.58929 numMergedOcc 0
