0 mol 10 unq 0 iso 0 dist 6.88548 7.45552 5.06897 8.2927 9.64891 11.2691 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.2612 11.9212 9.46609 8.7716 9.97991 5.36736 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 9.87921 6.12403 9.46302 13.7407 8.76527 15.4221 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.94459 6.51886 5.74389 14.5129 9.48391 10.8348 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 9.62428 5.07949 7.23173 5.20914 9.90053 8.95693 numMergedOcc 0
5 mol 74 unq 0 iso 0 dist 6.2442 5.11539 9.43699 10.7353 9.60205 15.2079 numMergedOcc 0
6 mol 74 unq 1 iso 0 dist 6.2442 5.6967 5.23115 10.7353 9.60205 6.2954 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.90574 4.51896 9.82548 5.3644 4.86701 5.8926 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.08064 9.8421 6.0733 5.56968 6.39075 7.55155 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 8.74174 9.10578 9.3832 15.8319 8.67619 17.4608 numMergedOcc 0
10 mol 163 unq 1 iso 0 dist 8.74174 9.44058 6.0247 15.8319 8.67619 7.1643 numMergedOcc 0
11 mol 163 unq 2 iso 0 dist 8.74174 5.51241 6.40873 15.8319 8.67619 11.2768 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 7.87322 9.91529 5.36078 5.88355 8.44479 8.46059 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 7.87322 9.91529 5.36078 14.7482 9.00002 11.3004 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 6.87058 5.98033 6.70176 9.24083 9.58197 10.0143 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 6.87058 5.98033 6.70176 9.94703 9.90943 5.96471 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 6.87058 5.37948 4.94811 9.24083 9.58197 6.438 numMergedOcc 0
17 mol 214 unq 3 iso 0 dist 6.87058 5.37948 4.94811 9.94703 9.90943 9.57515 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 6.06105 11.8099 9.65075 13.5182 9.42463 5.60637 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 9.26007 10.3683 9.43554 11.9969 9.84682 11.3347 numMergedOcc 0
20 mol 250 unq 1 iso 0 dist 9.26007 10.3683 9.43554 6.96017 8.26719 14.0873 numMergedOcc 0
21 mol 250 unq 2 iso 0 dist 9.26007 12.9156 9.21681 11.9969 9.84682 17.9595 numMergedOcc 0
22 mol 250 unq 3 iso 0 dist 9.26007 12.9156 9.21681 6.96017 8.26719 6.37495 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 8.62351 14.0369 9.81593 4.43412 6.97105 12.5748 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 8.62351 13.2459 9.78248 4.43412 6.97105 10.0697 numMergedOcc 0
25 mol 252 unq 2 iso 0 dist 6.94319 7.47327 9.81593 11.5831 6.97105 12.5748 numMergedOcc 0
26 mol 252 unq 3 iso 0 dist 6.94319 12.2701 9.78248 11.5831 6.97105 10.0697 numMergedOcc 0
