1.00000000 1.00000000 1.00000000 < LEN 
90.0000000 90.0000000 90.0000000 < ANG 
0.03480361 -1.4127204 2.05118169 O 001 
0.39538598 -0.2741997 1.83750574 C 002 
1.75614678 -0.0020300 1.23086251 C 003 
2.35430338 -1.1775120 0.45966425 C 004 
1.49539069 -1.6456887 -0.7143254 C 005 
1.25648875 -0.5995714 -1.8146338 C 006 
-0.1773113 -0.6051716 -2.3746121 C 007 
-1.2574724 -0.2260380 -1.3504412 C 008 
-1.1386187 1.19641272 -0.8223914 C 009 
-2.0991648 1.56210578 0.30738943 C 010 
-1.9153217 0.80271866 1.61400560 C 011 
-0.5021318 0.88896174 2.21328069 C 012 
2.29809991 0.19677702 1.97995637 H 013 
1.72420410 0.75847708 0.63895557 H 014 
2.48993493 -1.8993778 1.08595583 H 015 
3.26093026 -0.8431801 0.10108162 H 016 
0.62068511 -1.8932176 -0.3459186 H 017 
1.94705937 -2.4644380 -1.1122048 H 018 
1.88618933 -0.7490967 -2.5268869 H 019 
1.43608971 0.32894174 -1.4535951 H 020 
-0.4133839 -1.5448851 -2.7258266 H 021 
-0.2274238 -0.0042701 -3.1973873 H 022 
-1.1831075 -0.8482202 -0.5988913 H 023 
-2.1594677 -0.2159577 -1.7802491 H 024 
-1.3022283 1.85107610 -1.6009578 H 025 
-0.2289063 1.34313796 -0.5080176 H 026 
-1.9458038 2.56230150 0.50387307 H 027 
-2.1169315 -0.1784363 1.48383519 H 028 
-2.5702131 1.13761062 2.27713787 H 029 
-0.5637473 0.79935854 3.16377027 H 030 
-3.0482144 1.44730168 -0.0118964 H 031 
-0.1062629 1.70883102 1.98978055 H 032 
O 001 - C 002 = 1.213  
C 002 - C 003 = 1.515  
C 002 - C 012 = 1.516  
C 003 - C 004 = 1.528  
C 003 - H 013 = 0.946  
C 003 - H 014 = 0.964  
C 004 - C 005 = 1.528  
C 004 - H 015 = 0.965  
C 004 - H 016 = 1.031  
C 005 - C 006 = 1.537  
C 005 - H 017 = 0.981  
C 005 - H 018 = 1.016  
C 006 - C 007 = 1.539  
C 006 - H 019 = 0.962  
C 006 - H 020 = 1.012  
C 007 - C 008 = 1.536  
C 007 - H 021 = 1.031  
C 007 - H 022 = 1.020  
C 008 - C 009 = 1.522  
C 008 - H 023 = 0.979  
C 008 - H 024 = 0.999  
C 009 - C 010 = 1.527  
C 009 - H 025 = 1.030  
C 009 - H 026 = 0.974  
C 010 - C 011 = 1.522  
C 010 - H 027 = 1.031  
C 010 - H 031 = 1.008  
C 011 - C 012 = 1.537  
C 011 - H 028 = 1.010  
C 011 - H 029 = 0.990  
C 012 - H 030 = 0.957  
C 012 - H 032 = 0.937  
