0 mol 4 unq 0 iso 0 dist 6.66589 4.70233 9.71908 11.913 14.3678 8.57798 18.3902 22.4876 13.8402 9.79054 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.80478 7.10738 9.71908 15.4904 14.3678 8.57798 19.5525 22.4876 13.8402 9.79054 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.83658 13.9246 8.23909 8.14952 4.92824 7.7393 15.4291 10.1987 5.19202 8.77648 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.20865 5.46236 8.25817 10.8284 7.53156 7.59354 11.5012 11.8527 6.14241 8.87856 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.46734 11.6409 8.21889 17.4496 10.6667 9.0224 9.59741 7.51061 5.07258 9.2046 numMergedOcc 0
5 mol 212 unq 0 iso 0 dist 7.3529 6.9794 9.53824 13.6797 10.7641 9.12948 9.2112 10.2077 3.81896 6.41916 numMergedOcc 0
6 mol 214 unq 0 iso 0 dist 9.40003 10.6403 8.49704 16.7045 13.0236 9.03521 17.6774 11.3827 7.86766 9.64455 numMergedOcc 0
7 mol 214 unq 1 iso 0 dist 8.68385 15.7236 8.49704 17.4715 13.0236 9.03521 14.1797 11.3827 7.86766 9.64455 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 8.9077 15.8912 7.31105 7.86207 4.90657 9.58724 11.9931 6.21273 9.98645 8.58709 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 9.67877 9.0655 5.73296 6.08181 5.09738 7.66806 11.1086 11.1385 9.56106 9.26487 numMergedOcc 0
10 mol 261 unq 0 iso 0 dist 7.15785 6.13416 9.62828 6.41477 4.50761 9.50269 5.72823 9.95681 11.6193 9.56414 numMergedOcc 0
11 mol 261 unq 1 iso 0 dist 7.15785 6.13416 9.62828 6.41477 4.50761 9.50269 9.836 13.5404 14.0506 9.64886 numMergedOcc 0
12 mol 279 unq 0 iso 0 dist 5.17586 5.72978 8.13489 10.7277 10.2086 9.77593 9.38222 10.3817 4.07526 8.87355 numMergedOcc 0
13 mol 279 unq 1 iso 0 dist 5.17586 5.72978 8.13489 10.7277 10.2086 9.77593 14.9923 14.5769 10.7449 8.18179 numMergedOcc 0
14 mol 279 unq 2 iso 0 dist 5.17586 5.72978 8.13489 10.7277 10.2086 9.77593 16.7037 17.6412 12.552 9.51355 numMergedOcc 0
