0 mol 25 unq 0 iso 0 dist 5.97521 9.10473 7.69713 4.88903 7.8701 9.33067 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 5.97521 9.10473 7.69713 6.88403 9.78326 13.4878 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 5.97521 9.20827 5.41737 4.88903 7.8701 10.9639 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 5.97521 9.20827 5.41737 6.88403 9.78326 14.2149 numMergedOcc 0
4 mol 29 unq 0 iso 0 dist 5.92844 7.71617 6.0516 8.02814 7.28761 9.78134 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.14324 9.23033 9.05723 10.6411 8.90701 8.21247 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 7.92196 9.90852 11.3853 12.6452 6.05264 16.3535 numMergedOcc 0
7 mol 53 unq 1 iso 0 dist 7.92196 9.31516 3.9531 12.6452 6.05264 5.63499 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 7.30552 8.23389 3.64347 5.68539 6.20435 4.74654 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.00779 5.79157 7.31451 14.0481 9.8821 15.5901 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.00779 5.79157 7.31451 13.2461 8.80003 15.6051 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.00779 7.91605 8.97954 14.0481 9.8821 18.4238 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.00779 7.91605 8.97954 13.2461 8.80003 16.3519 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 6.00779 6.43707 5.33414 14.0481 9.8821 15.136 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 6.00779 6.43707 5.33414 13.2461 8.80003 13.859 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 5.52283 7.75341 4.3232 6.87319 8.40154 12.0033 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 5.98626 6.2454 6.23263 6.40513 9.71134 5.58681 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.78286 9.11574 15.6048 7.48216 6.93215 12.7666 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 5.55434 8.9327 5.65659 6.78632 7.87797 6.93465 numMergedOcc 0
19 mol 242 unq 0 iso 0 dist 8.90437 9.14189 4.20404 4.99882 5.97464 8.29838 numMergedOcc 0
20 mol 242 unq 1 iso 0 dist 8.43332 9.14189 5.38935 4.99882 9.01402 8.29838 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 5.7378 9.4181 4.24789 8.51629 4.1631 5.32876 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 7.15632 5.05882 4.24789 4.67572 4.1631 5.32876 numMergedOcc 0
