0 mol 48 unq 0 iso 0 dist 6.04551 6.31161 9.46719 8.69374 7.92359 5.59983 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 6.31161 6.04551 9.46719 8.69374 5.59983 7.92359 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 7.09393 3.87167 3.83043 9.24557 11.5139 8.73219 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 3.87167 7.09393 3.83043 9.24557 8.73219 11.5139 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 8.80388 7.28156 4.41267 8.85561 7.75467 4.32716 numMergedOcc 0
5 mol 105 unq 0 iso 1 dist 7.28156 8.80388 4.41267 8.85561 4.32716 7.75467 numMergedOcc 0
6 mol 184 unq 0 iso 0 dist 9.45847 7.895 17.2664 5.67457 12.5274 8.33714 numMergedOcc 0
7 mol 184 unq 0 iso 1 dist 7.895 9.45847 17.2664 5.67457 8.33714 12.5274 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 9.085 9.68829 9.21051 9.93683 5.30475 11.0404 numMergedOcc 0
9 mol 205 unq 0 iso 1 dist 9.68829 9.085 9.21051 9.93683 11.0404 5.30475 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 6.57898 5.80442 6.80972 numMergedOcc 0
11 mol 220 unq 0 iso 1 dist 7.20255 7.57712 5.88344 6.57898 6.80972 5.80442 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 7.57716 8.98362 13.3644 9.1318 5.68462 10.8062 numMergedOcc 0
13 mol 220 unq 1 iso 1 dist 8.98362 7.57716 13.3644 9.1318 10.8062 5.68462 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 5.97988 9.37276 8.07582 5.74939 3.8619 5.30197 numMergedOcc 0
15 mol 224 unq 0 iso 1 dist 9.37276 5.97988 8.07582 5.74939 5.30197 3.8619 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 6.6537 9.08719 11.6002 9.55911 9.19415 5.32839 numMergedOcc 0
17 mol 224 unq 1 iso 1 dist 9.08719 6.6537 11.6002 9.55911 5.32839 9.19415 numMergedOcc 0
18 mol 245 unq 0 iso 0 dist 7.26913 6.41862 10.9806 9.99553 8.4059 10.2813 numMergedOcc 0
19 mol 245 unq 0 iso 1 dist 6.41862 7.26913 10.9806 9.99553 10.2813 8.4059 numMergedOcc 0
20 mol 245 unq 1 iso 0 dist 7.26913 8.69377 12.3319 9.99553 8.4059 7.4192 numMergedOcc 0
21 mol 245 unq 1 iso 1 dist 8.69377 7.26913 12.3319 9.99553 7.4192 8.4059 numMergedOcc 0
22 mol 245 unq 1 iso 0 dist 6.41862 8.69377 6.22658 9.99553 10.2813 7.4192 numMergedOcc 0
23 mol 245 unq 1 iso 1 dist 8.69377 6.41862 6.22658 9.99553 7.4192 10.2813 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 7.53352 7.80793 5.93819 8.5291 12.5167 8.03226 numMergedOcc 0
25 mol 254 unq 0 iso 1 dist 7.80793 7.53352 5.93819 8.5291 8.03226 12.5167 numMergedOcc 0
26 mol 254 unq 1 iso 0 dist 7.53352 7.80793 5.93819 9.32852 16.0777 13.263 numMergedOcc 0
27 mol 254 unq 1 iso 1 dist 7.80793 7.53352 5.93819 9.32852 13.263 16.0777 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 9.05568 5.87866 10.9415 numMergedOcc 0
29 mol 265 unq 0 iso 1 dist 6.5072 9.56472 10.1588 9.05568 10.9415 5.87866 numMergedOcc 0
30 mol 265 unq 1 iso 0 dist 9.56472 4.03921 13.1954 9.05568 5.87866 11.4155 numMergedOcc 0
31 mol 265 unq 1 iso 1 dist 4.03921 9.56472 13.1954 9.05568 11.4155 5.87866 numMergedOcc 0
32 mol 265 unq 1 iso 0 dist 6.5072 4.03921 7.82127 9.05568 10.9415 11.4155 numMergedOcc 0
33 mol 265 unq 1 iso 1 dist 4.03921 6.5072 7.82127 9.05568 11.4155 10.9415 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 8.57733 9.05509 6.17591 7.8766 3.77655 8.87395 numMergedOcc 0
35 mol 280 unq 0 iso 1 dist 9.05509 8.57733 6.17591 7.8766 8.87395 3.77655 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 8.57733 9.05509 6.17591 7.70759 9.99391 8.05876 numMergedOcc 0
37 mol 280 unq 1 iso 1 dist 9.05509 8.57733 6.17591 7.70759 8.05876 9.99391 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 8.60441 6.97558 4.46072 8.19745 10.1933 6.63396 numMergedOcc 0
39 mol 294 unq 0 iso 1 dist 6.97558 8.60441 4.46072 8.19745 6.63396 10.1933 numMergedOcc 0
