0 mol 0 unq 0 iso 0 dist 8.38106 4.76239 7.96742 6.64852 6.8892 9.53992 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.38106 14.3865 7.19397 6.64852 6.8892 11.5675 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 5.70193 9.1935 7.96742 6.26414 6.8892 9.53992 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 5.70193 6.27899 7.19397 6.26414 6.8892 11.5675 numMergedOcc 0
4 mol 4 unq 0 iso 0 dist 8.67981 4.86602 4.88114 11.5212 6.12485 9.84838 numMergedOcc 0
5 mol 4 unq 1 iso 0 dist 8.67981 4.86602 4.88114 3.6405 9.04027 7.03689 numMergedOcc 0
6 mol 5 unq 0 iso 0 dist 5.14917 5.43606 7.15734 9.57274 8.88048 13.8842 numMergedOcc 0
7 mol 6 unq 0 iso 0 dist 9.38351 6.10198 6.1462 13.9523 6.36157 8.54844 numMergedOcc 0
8 mol 6 unq 1 iso 0 dist 9.38351 9.37554 9.12796 13.9523 6.36157 8.60722 numMergedOcc 0
9 mol 6 unq 2 iso 0 dist 8.30543 4.35789 8.17981 5.89121 8.31647 5.59667 numMergedOcc 0
10 mol 6 unq 3 iso 0 dist 9.94843 7.45519 8.17981 5.7654 8.31647 5.59667 numMergedOcc 0
11 mol 8 unq 0 iso 0 dist 6.68091 12.7755 9.00925 4.04843 8.68949 16.2669 numMergedOcc 0
12 mol 12 unq 0 iso 0 dist 4.62913 7.18195 5.9021 4.60834 6.6051 4.86727 numMergedOcc 0
13 mol 12 unq 1 iso 0 dist 4.62913 6.70723 8.98466 4.60834 6.6051 10.763 numMergedOcc 0
14 mol 35 unq 0 iso 0 dist 6.16132 10.0288 9.81737 4.50401 5.28675 7.44943 numMergedOcc 0
15 mol 48 unq 0 iso 0 dist 8.05728 5.05927 7.38928 9.57046 9.40644 8.74683 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 8.05728 5.05927 7.38928 4.91237 5.35252 5.03338 numMergedOcc 0
17 mol 51 unq 0 iso 0 dist 8.55004 11.5172 9.4097 7.24502 8.84151 6.20413 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 8.01516 10.5523 7.41952 15.8477 8.64686 9.57704 numMergedOcc 0
19 mol 87 unq 0 iso 0 dist 9.4868 11.254 9.10245 15.7737 9.90256 5.83874 numMergedOcc 0
20 mol 87 unq 1 iso 0 dist 9.4868 11.254 9.10245 6.27329 5.63748 7.43534 numMergedOcc 0
21 mol 99 unq 0 iso 0 dist 8.44207 6.9006 6.81741 4.95662 8.68674 4.74328 numMergedOcc 0
22 mol 103 unq 0 iso 0 dist 7.52954 4.32749 7.81042 6.38538 8.078 8.96379 numMergedOcc 0
23 mol 103 unq 1 iso 0 dist 7.52954 4.32749 7.81042 6.78021 6.56481 5.73608 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 5.52891 3.94367 8.98151 6.87376 5.83719 8.21735 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 7.13958 4.99299 7.07421 4.74644 7.6453 5.06265 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 5.01269 7.25115 9.6582 6.65104 9.23104 12.4825 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 5.01269 6.02631 5.17734 6.65104 9.23104 7.75771 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 9.96416 8.58899 9.07294 5.9683 5.79195 5.35551 numMergedOcc 0
29 mol 133 unq 3 iso 0 dist 7.17051 5.80658 5.12189 5.9683 9.2759 10.8516 numMergedOcc 0
30 mol 133 unq 4 iso 0 dist 7.17051 8.58899 7.50126 5.9683 9.2759 5.35551 numMergedOcc 0
31 mol 165 unq 0 iso 0 dist 9.8446 9.75412 9.59989 4.08841 6.85551 9.94274 numMergedOcc 0
32 mol 171 unq 0 iso 0 dist 6.20851 14.0871 9.47945 5.93953 6.19457 10.2353 numMergedOcc 0
33 mol 217 unq 0 iso 0 dist 8.60259 5.30434 6.01666 6.44163 7.60302 5.16489 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 8.55805 12.6024 7.35148 4.74145 6.39087 11.4142 numMergedOcc 0
35 mol 226 unq 0 iso 0 dist 7.54614 9.97507 7.20862 12.983 8.74399 12.3908 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.6568 10.0728 7.6402 4.24722 7.74348 13.5224 numMergedOcc 0
37 mol 244 unq 0 iso 0 dist 9.53211 13.7123 6.51428 11.4783 7.43391 4.69664 numMergedOcc 0
38 mol 244 unq 1 iso 0 dist 9.53211 13.7123 6.51428 4.30655 7.79787 13.4155 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 9.17911 5.62491 6.08181 15.4705 8.10903 10.8957 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 9.17911 5.62491 6.08181 13.8539 7.25618 11.0025 numMergedOcc 0
41 mol 258 unq 2 iso 0 dist 9.17911 15.136 7.70189 15.4705 8.10903 5.27718 numMergedOcc 0
42 mol 258 unq 3 iso 0 dist 9.17911 15.136 7.70189 13.8539 7.25618 9.46467 numMergedOcc 0
43 mol 258 unq 4 iso 0 dist 9.52903 13.2258 6.08181 5.66907 8.10903 10.8957 numMergedOcc 0
44 mol 258 unq 5 iso 0 dist 9.52903 13.2258 6.08181 9.6053 7.25618 11.0025 numMergedOcc 0
45 mol 258 unq 6 iso 0 dist 9.52903 3.95075 7.70189 5.66907 8.10903 5.27718 numMergedOcc 0
46 mol 258 unq 7 iso 0 dist 9.52903 3.95075 7.70189 9.6053 7.25618 9.46467 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 8.06908 7.10624 8.91916 5.99165 8.54422 6.40534 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 8.06908 7.10624 8.91916 4.78344 7.67473 9.57286 numMergedOcc 0
49 mol 259 unq 2 iso 0 dist 8.06908 5.09929 4.55368 5.99165 8.54422 6.14631 numMergedOcc 0
50 mol 259 unq 3 iso 0 dist 8.06908 5.09929 4.55368 4.78344 7.67473 6.89689 numMergedOcc 0
51 mol 265 unq 0 iso 0 dist 9.81689 12.7023 9.50814 10.531 7.52632 3.89234 numMergedOcc 0
52 mol 266 unq 0 iso 0 dist 9.33791 9.58851 8.61786 8.55958 8.8646 9.94141 numMergedOcc 0
53 mol 266 unq 1 iso 0 dist 9.33791 11.5981 8.42706 8.55958 8.8646 3.93133 numMergedOcc 0
54 mol 266 unq 2 iso 0 dist 9.36806 7.43132 8.12204 4.39397 9.39714 5.91091 numMergedOcc 0
55 mol 266 unq 3 iso 0 dist 7.51446 8.18304 8.12204 9.47559 9.39714 5.91091 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 6.28023 5.66978 6.12202 5.02003 9.34051 10.3702 numMergedOcc 0
57 mol 276 unq 0 iso 0 dist 9.5388 16.342 9.68846 17.4715 9.87655 4.97223 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 9.56601 6.17316 5.78017 12.0471 8.03486 7.78018 numMergedOcc 0
59 mol 279 unq 1 iso 0 dist 9.56601 13.1019 8.78203 12.0471 8.03486 5.38411 numMergedOcc 0
60 mol 283 unq 0 iso 0 dist 8.43009 5.51524 8.3815 4.02114 5.71075 4.87508 numMergedOcc 0
61 mol 283 unq 1 iso 0 dist 8.43009 11.6321 7.13925 4.02114 5.71075 7.75306 numMergedOcc 0
62 mol 287 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 numMergedOcc 0
63 mol 287 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 numMergedOcc 0
64 mol 288 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 numMergedOcc 0
65 mol 288 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 numMergedOcc 0
66 mol 289 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 numMergedOcc 0
67 mol 289 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 numMergedOcc 0
68 mol 293 unq 0 iso 0 dist 6.83404 8.01733 8.42712 5.86662 6.42608 8.14268 numMergedOcc 0
69 mol 293 unq 1 iso 0 dist 6.04186 11.3134 8.8788 6.74585 4.72125 8.14268 numMergedOcc 0
