0 mol 10 unq 0 iso 0 dist 9.09015 9.573 7.83083 10.2264 8.3613 5.4053 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.09015 14.7081 9.05394 10.2264 8.3613 5.62174 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.82815 12.3587 7.83083 9.20224 8.3613 5.4053 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 7.82815 10.4126 9.05394 9.20224 8.3613 5.62174 numMergedOcc 0
4 mol 10 unq 4 iso 0 dist 7.70383 9.573 6.90469 10.2264 9.33141 5.4053 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.74777 6.22149 8.11143 5.92191 7.49157 6.88453 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 5.78231 8.7845 8.70331 12.4304 8.91596 14.036 numMergedOcc 0
7 mol 32 unq 1 iso 0 dist 9.41538 11.8855 8.70331 4.5514 8.91596 14.036 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.72036 10.5856 8.81562 14.3492 9.02471 4.80528 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.16745 7.90858 7.02693 5.78226 6.23522 10.8067 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.16745 7.90858 7.02693 6.34076 9.10566 6.58444 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.16745 7.90858 7.02693 10.9974 9.62027 15.7508 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.16745 12.4166 8.58248 5.78226 6.23522 7.9573 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 6.16745 12.4166 8.58248 6.34076 9.10566 17.249 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 6.16745 12.4166 8.58248 10.9974 9.62027 4.6248 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 8.63792 8.29882 5.91098 8.18176 7.61521 10.2219 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 8.63792 9.77859 4.86523 8.18176 7.61521 7.74851 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 7.72238 7.69926 10.7979 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.56288 15.811 9.43839 7.72238 7.69926 14.4751 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 5.97559 12.9091 8.66427 7.72238 5.85237 8.38101 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 5.97559 12.9091 8.66427 14.2934 9.11768 9.01135 numMergedOcc 0
21 mol 85 unq 4 iso 0 dist 5.97559 4.75717 8.49887 7.72238 5.85237 10.7979 numMergedOcc 0
22 mol 85 unq 5 iso 0 dist 5.97559 4.75717 8.49887 14.2934 9.11768 15.9875 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 4.81841 9.66122 9.02905 6.56354 7.51733 4.33346 numMergedOcc 0
24 mol 95 unq 1 iso 0 dist 4.81841 9.66122 9.02905 6.68919 9.01607 7.47119 numMergedOcc 0
25 mol 124 unq 0 iso 0 dist 8.06631 12.0208 8.50362 11.5024 8.57739 10.3233 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.01995 13.2228 9.35049 4.90674 5.78814 13.1243 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 5.86693 8.04699 9.57243 4.93029 7.46621 12.8338 numMergedOcc 0
28 mol 167 unq 0 iso 0 dist 8.0697 10.7328 8.06817 9.37794 5.36671 8.88239 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 9.45062 9.52922 13.445 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 4.42095 12.1121 9.81055 10.8182 9.38984 18.4888 numMergedOcc 0
31 mol 194 unq 2 iso 0 dist 4.42095 12.1121 9.81055 10.0354 9.91118 19.6126 numMergedOcc 0
32 mol 194 unq 3 iso 0 dist 6.88386 12.5858 7.56217 10.6236 9.52922 13.445 numMergedOcc 0
33 mol 194 unq 4 iso 0 dist 4.63898 12.5858 9.81055 7.58286 9.38984 18.4888 numMergedOcc 0
34 mol 194 unq 5 iso 0 dist 4.63898 12.5858 9.81055 9.53373 9.91118 19.6126 numMergedOcc 0
35 mol 194 unq 6 iso 0 dist 9.53641 17.439 9.81055 10.4127 9.38984 18.4888 numMergedOcc 0
36 mol 194 unq 7 iso 0 dist 9.53641 17.439 9.81055 7.1015 9.91118 19.6126 numMergedOcc 0
37 mol 252 unq 0 iso 0 dist 5.2116 6.07355 9.09279 4.52914 8.55044 5.96471 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 8.58013 4.8687 6.3093 7.40932 9.19385 4.84708 numMergedOcc 0
39 mol 253 unq 1 iso 0 dist 8.58013 4.8687 6.3093 10.9466 9.1927 6.27022 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 4.98907 5.83092 5.94328 5.29393 8.03012 4.6881 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 4.98907 5.09024 7.91978 5.29393 8.03012 6.80596 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 7.43884 6.58663 4.95415 9.65978 9.29666 5.98169 numMergedOcc 0
43 mol 266 unq 1 iso 0 dist 7.43884 7.56583 6.38519 9.65978 9.29666 13.8919 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 9.89615 18.0386 8.67957 15.8358 8.12739 7.23876 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 5.77565 7.77559 8.67957 4.68199 8.12739 7.23876 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 9.15937 10.377 9.25289 14.0055 9.96374 8.15589 numMergedOcc 0
47 mol 292 unq 1 iso 0 dist 9.15937 14.8361 9.29687 14.0055 9.96374 15.908 numMergedOcc 0
48 mol 294 unq 0 iso 0 dist 7.58948 4.06072 7.94656 9.41638 8.88595 6.99988 numMergedOcc 0
