0 mol 0 unq 0 iso 0 dist 9.83355 5.47921 6.26831 7.16396 6.64713 5.24778 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.38646 15.8283 9.27637 5.09857 8.55446 15.0681 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.38646 15.8283 9.27637 5.86578 6.59455 11.8296 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.38646 15.8283 9.27637 10.699 5.71201 5.67536 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.97991 11.1182 8.44506 6.81961 9.5053 10.9837 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.0534 4.91508 8.03303 14.9324 7.62738 14.6243 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 5.50645 6.88558 7.9233 5.78327 7.6433 5.38908 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.42735 6.71804 4.79949 7.88113 6.66954 4.3931 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.98078 6.71804 7.27693 4.80291 9.75201 6.45686 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.09408 6.38992 8.00777 10.2703 8.70863 11.165 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.09408 9.13494 7.1589 10.2703 8.70863 9.29301 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 5.89661 8.38283 9.81831 8.64726 7.62611 4.4022 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 5.89661 6.13065 9.12858 8.64726 7.62611 8.96224 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 5.89661 11.0971 9.4523 8.64726 7.62611 10.3849 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.60416 11.8887 7.26086 17.0061 8.43352 7.06961 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.07991 9.52181 6.34525 14.3305 9.35942 12.7083 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.03491 7.12329 5.74857 5.67542 8.85881 5.22052 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 7.20629 4.6251 7.77116 9.25614 8.8562 7.20179 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 7.20629 4.6251 7.77116 5.53673 7.91683 9.89358 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 9.31118 5.50061 9.46588 5.23583 5.94233 6.0268 numMergedOcc 0
20 mol 126 unq 1 iso 0 dist 9.31118 5.50061 9.46588 11.0459 8.56219 8.01268 numMergedOcc 0
21 mol 126 unq 2 iso 0 dist 8.44104 13.2671 9.46588 7.25449 5.94233 6.0268 numMergedOcc 0
22 mol 126 unq 3 iso 0 dist 8.44104 13.2671 9.46588 11.2199 8.56219 8.01268 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 7.67321 13.9674 9.28592 15.6039 9.13191 8.01932 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 7.67321 13.9674 9.28592 8.90781 6.95405 6.75397 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 9.95533 5.65454 5.49226 14.6343 7.25644 11.1681 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 9.95533 10.1056 6.28351 14.6343 7.25644 5.50251 numMergedOcc 0
27 mol 147 unq 2 iso 0 dist 7.94147 10.4411 5.49226 5.93581 7.25644 11.1681 numMergedOcc 0
28 mol 147 unq 3 iso 0 dist 7.94147 6.11262 6.28351 5.93581 7.25644 5.50251 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 6.86144 5.65167 6.51749 5.71112 7.11785 5.6044 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 6.86144 9.23179 7.20392 5.71112 7.11785 12.9468 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 5.31166 5.95114 9.56197 9.11826 7.46987 9.74148 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 5.31166 5.93294 7.24795 9.11826 7.46987 7.30024 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 5.31166 8.88219 8.64409 9.11826 7.46987 11.6919 numMergedOcc 0
34 mol 186 unq 3 iso 0 dist 5.31166 7.74823 7.60202 9.11826 7.46987 5.3967 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 5.7371 5.87898 6.96521 5.3236 7.74683 5.43725 numMergedOcc 0
36 mol 203 unq 0 iso 0 dist 6.97422 11.7852 8.72527 5.39235 7.94843 10.7669 numMergedOcc 0
37 mol 209 unq 0 iso 0 dist 9.93982 9.80484 8.41195 5.78532 7.97418 6.552 numMergedOcc 0
38 mol 209 unq 1 iso 0 dist 9.9518 11.2558 8.41195 5.54278 7.97418 6.552 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.11989 6.3985 9.2581 10.4275 9.08955 5.89689 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 7.11989 6.3985 9.2581 9.86636 8.88664 8.92719 numMergedOcc 0
41 mol 222 unq 2 iso 0 dist 7.11989 6.3985 9.2581 5.78833 7.16819 5.82526 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 7.11989 11.068 9.62632 10.4275 9.08955 10.6944 numMergedOcc 0
43 mol 222 unq 4 iso 0 dist 7.11989 11.068 9.62632 9.86636 8.88664 15.4372 numMergedOcc 0
44 mol 222 unq 5 iso 0 dist 7.11989 11.068 9.62632 5.78833 7.16819 12.9388 numMergedOcc 0
45 mol 222 unq 6 iso 0 dist 7.11989 12.6853 7.862 10.4275 9.08955 7.75466 numMergedOcc 0
46 mol 222 unq 7 iso 0 dist 7.11989 12.6853 7.862 9.86636 8.88664 12.1951 numMergedOcc 0
47 mol 222 unq 8 iso 0 dist 7.11989 12.6853 7.862 5.78833 7.16819 11.6161 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 8.73422 6.64614 7.83711 5.53537 6.57921 4.9377 numMergedOcc 0
49 mol 253 unq 0 iso 0 dist 8.72947 13.1177 7.77998 8.89634 8.15091 5.78064 numMergedOcc 0
50 mol 272 unq 0 iso 0 dist 4.80092 7.33684 9.64269 10.8122 9.18635 10.2227 numMergedOcc 0
51 mol 272 unq 1 iso 0 dist 4.80092 6.40917 6.88809 10.8122 9.18635 5.02308 numMergedOcc 0
52 mol 272 unq 2 iso 0 dist 4.80092 10.4451 8.46061 10.8122 9.18635 6.32008 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 9.06496 7.0797 6.57903 10.0166 7.85414 6.28695 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 9.06496 7.32232 9.65707 10.0166 7.85414 4.39413 numMergedOcc 0
55 mol 279 unq 0 iso 0 dist 7.84195 11.4893 8.29305 13.3542 9.30921 9.37316 numMergedOcc 0
56 mol 279 unq 1 iso 0 dist 7.84195 12.9462 6.43341 13.3542 9.30921 5.58929 numMergedOcc 0
57 mol 279 unq 2 iso 0 dist 9.2174 4.98462 8.29305 12.0995 9.30921 9.37316 numMergedOcc 0
58 mol 279 unq 3 iso 0 dist 9.2174 7.30763 6.43341 12.0995 9.30921 5.58929 numMergedOcc 0
