0 mol 9 unq 0 iso 0 dist 8.77074 17.4675 9.27637 11.1857 8.55446 15.0681 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 17.4675 9.27637 9.93406 6.59455 11.8296 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.77074 17.4675 9.27637 13.0985 5.71201 5.67536 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 6.39939 7.98679 4.56335 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 5.04036 4.17261 6.26071 6.39939 7.98679 8.87621 numMergedOcc 0
5 mol 13 unq 2 iso 0 dist 5.04036 6.68749 8.43325 6.39939 7.98679 12.9999 numMergedOcc 0
6 mol 13 unq 3 iso 0 dist 9.44958 11.3605 5.78148 14.2898 7.98679 4.56335 numMergedOcc 0
7 mol 13 unq 4 iso 0 dist 9.44958 13.8587 6.26071 14.2898 7.98679 8.87621 numMergedOcc 0
8 mol 13 unq 5 iso 0 dist 9.44958 16.4369 8.43325 14.2898 7.98679 12.9999 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 12.1061 4.90592 5.11617 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 6.81998 8.16324 10.8238 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 8.70141 5.80023 9.24958 12.1061 4.90592 13.2229 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.70141 5.80023 9.24958 6.81998 8.16324 6.7828 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 9.46609 13.1626 8.44506 4.29919 9.5053 10.9837 numMergedOcc 0
14 mol 28 unq 0 iso 0 dist 9.00593 9.68942 7.28416 13.0892 7.40415 8.4285 numMergedOcc 0
15 mol 44 unq 0 iso 0 dist 7.03812 11.0744 7.52117 10.0797 7.03307 4.55437 numMergedOcc 0
16 mol 44 unq 1 iso 0 dist 7.03812 11.0744 7.52117 6.29545 7.25707 6.16231 numMergedOcc 0
17 mol 53 unq 0 iso 0 dist 9.23241 13.8028 7.09169 10.4112 7.75295 5.09224 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 6.53468 14.2026 8.03303 4.79924 7.62738 14.6243 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 5.90954 9.27925 8.03303 9.80492 7.62738 14.6243 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 9.28282 4.57694 4.79949 5.26304 6.66954 4.3931 numMergedOcc 0
21 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.595 7.62611 4.4022 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 8.42713 15.232 9.12858 15.595 7.62611 8.96224 numMergedOcc 0
23 mol 93 unq 2 iso 0 dist 8.42713 12.5871 9.4523 15.595 7.62611 10.3849 numMergedOcc 0
24 mol 93 unq 3 iso 0 dist 8.21032 6.25741 9.81831 4.38413 7.62611 4.4022 numMergedOcc 0
25 mol 93 unq 4 iso 0 dist 8.21032 10.0172 9.12858 4.38413 7.62611 8.96224 numMergedOcc 0
26 mol 93 unq 5 iso 0 dist 8.21032 13.6269 9.4523 4.38413 7.62611 10.3849 numMergedOcc 0
27 mol 114 unq 0 iso 0 dist 5.82501 7.6321 9.7918 3.88006 7.42482 7.12268 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 6.71699 6.03352 8.2619 numMergedOcc 0
29 mol 130 unq 0 iso 0 dist 6.62468 13.474 9.28592 12.1443 9.13191 8.01932 numMergedOcc 0
30 mol 130 unq 1 iso 0 dist 6.62468 13.474 9.28592 11.0466 6.95405 6.75397 numMergedOcc 0
31 mol 131 unq 0 iso 0 dist 5.33314 11.1522 8.86329 7.57827 8.92828 10.3369 numMergedOcc 0
32 mol 131 unq 1 iso 0 dist 5.33314 11.1522 8.86329 3.98821 5.56627 7.7567 numMergedOcc 0
33 mol 131 unq 2 iso 0 dist 5.33314 11.4573 8.71039 7.57827 8.92828 7.92788 numMergedOcc 0
34 mol 131 unq 3 iso 0 dist 5.33314 11.4573 8.71039 3.98821 5.56627 8.23791 numMergedOcc 0
35 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.7246 7.25644 11.1681 numMergedOcc 0
36 mol 147 unq 1 iso 0 dist 6.4752 10.5583 6.28351 10.7246 7.25644 5.50251 numMergedOcc 0
37 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 4.31531 6.76055 6.4079 numMergedOcc 0
38 mol 158 unq 1 iso 0 dist 6.92225 9.86605 7.88319 9.29425 9.36343 4.25067 numMergedOcc 0
39 mol 162 unq 0 iso 0 dist 8.48559 6.46702 6.20182 7.15755 7.14263 4.20425 numMergedOcc 0
40 mol 162 unq 1 iso 0 dist 8.48559 6.46702 6.20182 7.74683 8.57005 6.07158 numMergedOcc 0
41 mol 175 unq 0 iso 0 dist 9.08628 4.358 8.0154 9.7676 8.05247 6.29885 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 9.08628 4.358 8.0154 11.4159 9.71028 7.27408 numMergedOcc 0
43 mol 175 unq 2 iso 0 dist 8.35581 9.63193 8.0154 5.81984 8.05247 6.29885 numMergedOcc 0
44 mol 175 unq 3 iso 0 dist 8.35581 9.63193 8.0154 12.3602 9.71028 7.27408 numMergedOcc 0
45 mol 175 unq 4 iso 0 dist 6.72569 8.97821 8.0154 3.98834 8.05247 6.29885 numMergedOcc 0
46 mol 175 unq 5 iso 0 dist 6.72569 8.97821 8.0154 9.4225 9.71028 7.27408 numMergedOcc 0
47 mol 175 unq 6 iso 0 dist 9.12296 4.27736 7.35824 11.6344 5.89564 11.8693 numMergedOcc 0
48 mol 175 unq 7 iso 0 dist 9.12296 4.27736 7.35824 5.96987 5.60528 6.77832 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 10.7677 5.68348 11.6598 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 10.7677 5.68348 12.0887 numMergedOcc 0
51 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 10.7677 5.68348 7.11753 numMergedOcc 0
52 mol 194 unq 3 iso 0 dist 7.47107 4.57265 8.2654 10.7677 5.68348 12.8755 numMergedOcc 0
53 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 10.2441 9.32945 4.92618 numMergedOcc 0
54 mol 218 unq 1 iso 0 dist 9.6309 10.8948 6.29511 10.2441 9.32945 7.84019 numMergedOcc 0
55 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 14.1101 9.23935 5.76292 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 8.28454 10.754 8.87609 12.969 7.77552 8.21235 numMergedOcc 0
57 mol 239 unq 0 iso 0 dist 8.81373 6.06308 8.67805 4.13135 5.0804 5.05321 numMergedOcc 0
58 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 4.17741 9.91199 10.8558 numMergedOcc 0
59 mol 258 unq 1 iso 0 dist 8.78354 11.716 7.99477 4.17741 9.91199 13.2927 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 14.7332 7.21655 6.26382 numMergedOcc 0
61 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 14.7332 7.21655 5.24812 numMergedOcc 0
62 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 10.3515 7.21655 6.26382 numMergedOcc 0
63 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 10.3515 7.21655 5.24812 numMergedOcc 0
64 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 10.2848 9.18635 10.2227 numMergedOcc 0
65 mol 272 unq 1 iso 0 dist 8.36282 5.87695 6.88809 10.2848 9.18635 5.02308 numMergedOcc 0
66 mol 272 unq 2 iso 0 dist 8.36282 12.8166 8.46061 10.2848 9.18635 6.32008 numMergedOcc 0
67 mol 274 unq 0 iso 0 dist 7.65671 5.9882 9.56685 4.36131 8.2997 5.29529 numMergedOcc 0
68 mol 277 unq 0 iso 0 dist 5.70326 9.08161 9.3936 9.45482 8.81717 4.50065 numMergedOcc 0
69 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 11.7377 9.30921 9.37316 numMergedOcc 0
70 mol 279 unq 1 iso 0 dist 5.63154 8.33297 6.43341 11.7377 9.30921 5.58929 numMergedOcc 0
