0 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 8.27962 6.85412 9.29529 3.98483 9.78006 8.04924 7.98363 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 11.4878 6.33889 7.2199 3.98483 9.78006 8.04924 10.4204 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 11.0722 8.83269 9.82483 6.81435 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.34347 9.16962 11.887 7.23546 6.73162 15.0652 17.7956 17.0926 9.25649 22.4082 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.34347 9.16962 11.887 7.23546 6.73162 15.0652 15.23 13.664 9.36104 18.0598 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 6.89191 10.5365 7.93481 6.11542 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 11.0355 10.5365 7.93481 6.11542 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.55426 9.73139 13.1021 10.3782 8.26899 12.8396 11.9834 16.5181 7.93481 11.7666 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.11741 6.99777 10.8292 4.61908 9.66954 9.9411 7.3094 10.9734 9.9928 5.87507 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.11741 6.99777 10.8292 10.8939 7.64585 17.3282 7.3094 10.9734 9.9928 15.1897 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 7.88312 6.99777 11.7126 4.61908 8.66155 9.9411 7.3094 5.72642 9.9928 5.87507 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 13.9336 12.6297 7.01126 5.95187 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 11.873 15.2721 6.58434 5.46129 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 13.9336 10.1905 7.01126 5.95187 numMergedOcc 0
14 mol 175 unq 3 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 11.873 11.1503 6.58434 5.46129 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 5.86342 6.94688 10.5561 5.93488 6.51749 7.345 10.4684 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 5.98885 7.20046 5.4601 9.14057 6.71012 9.94131 5.93488 6.51749 7.345 12.69 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 5.98885 7.13543 10.0524 5.86342 6.94688 11.7007 5.93488 6.51749 9.52987 10.4684 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 5.98885 7.13543 10.0524 9.14057 6.71012 12.8673 5.93488 6.51749 9.52987 12.69 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 7.81386 7.98142 9.53462 6.7991 4.93785 12.2455 9.92777 14.3453 5.49808 15.9894 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 7.81386 7.37327 11.1462 6.7991 4.93785 11.691 9.92777 14.3453 7.96291 15.9894 numMergedOcc 0
21 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 4.80231 6.93764 10.7841 9.92777 11.6558 5.49808 10.8432 numMergedOcc 0
22 mol 181 unq 7 iso 0 dist 7.63312 7.37327 13.3389 4.80231 6.93764 11.1129 9.92777 11.6558 7.96291 10.8432 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 8.47007 6.97182 11.7443 5.63388 6.38157 5.10114 9.26037 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 8.85478 7.46831 6.67959 12.8334 6.1175 12.7646 5.63388 6.38157 5.10114 11.353 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 4.65302 8.21247 11.9287 15.0089 17.7022 9.31673 15.9403 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.57393 5.38637 6.20606 10.9761 6.91569 11.9092 11.1167 13.7544 8.6597 16.8044 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 7.00034 7.39747 6.26168 7.04058 7.20082 6.34801 5.66732 10.2163 7.18771 10.151 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 7.00034 8.1777 5.39146 7.04058 7.20082 9.95595 5.66732 10.2163 7.94894 10.151 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 10.1857 8.50864 13.4404 5.99459 6.17052 8.53148 6.53154 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 5.30224 8.37865 5.31048 4.99891 6.77938 11.4462 7.31951 8.59697 6.39918 12.1218 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 5.32839 7.76676 9.64797 7.31951 8.59697 6.39918 9.22203 numMergedOcc 0
