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