1.00000000 1.00000000 1.00000000 < LEN 90.0000000 90.0000000 90.0000000 < ANG 1.48731918 1.85291691 2.27687091 C 001 1.83102946 0.38128526 2.11751952 C 002 0.25534468 2.29773074 1.50654665 C 003 0.31380312 2.05808734 -0.0046482 C 004 -0.9909463 2.40663993 -0.7070027 C 005 -1.0064369 2.12416822 -2.2121559 C 006 -0.7479284 0.66122940 -2.5897658 C 007 1.34544715 2.23832353 -0.5905025 O 008 1.96697825 0.24658964 1.15763508 H 009 2.60970109 0.22671507 2.65297040 H 010 2.28368029 2.36086804 1.86225521 H 011 1.43771763 2.07469177 3.22920316 H 012 0.11209373 3.30840275 1.72404997 H 013 -0.5453633 1.84046331 1.95061593 H 014 -1.2384239 3.35640503 -0.5544483 H 015 -1.7427208 1.81823549 -0.2938974 H 016 -0.2366446 2.66664905 -2.5980732 H 017 -1.8504014 2.41408348 -2.5980732 H 018 0.13416453 0.33034679 -2.2748391 H 019 -0.7212761 0.58653090 -3.6417871 H 020 -0.3093087 -1.9842187 0.00894567 C 021 -1.4828182 -1.7790367 -2.2725659 C 022 -1.8265296 -0.3074129 -2.1132145 C 023 -0.2508437 -2.2238505 -1.5022417 C 024 0.99544188 -2.3327634 0.71130014 C 025 1.01093243 -2.0502917 2.21645332 C 026 0.75242400 -0.5873528 2.59406325 C 027 -1.9624784 -0.1727173 -1.1533301 H 028 -2.6052012 -0.1528427 -2.6486654 H 029 -2.2791793 -2.2869878 -1.8579502 H 030 -1.4332166 -2.0008115 -3.2248982 H 031 -0.1075981 -3.2345225 -1.7197450 H 032 0.54985887 -1.7665831 -1.9463109 H 033 -0.4700079 -1.0493996 0.13733304 H 034 -0.9608876 -2.5925792 0.37145120 H 035 1.24291945 -3.2825285 0.55874573 H 036 1.74721639 -1.7443589 0.29819487 H 037 0.24114016 -2.5927725 2.60237067 H 038 1.85489702 -2.3402069 2.60237067 H 039 -0.1296690 -0.2564702 2.27913657 H 040 0.72577171 -0.5126543 3.64608452 H 041 C 001 - C 002 = 1.520 C 001 - C 003 = 1.520 C 001 - H 011 = 1.032 C 001 - H 012 = 0.979 C 002 - H 009 = 0.979 C 002 - H 010 = 0.958 C 002 - C 027 = 1.526 C 003 - C 004 = 1.531 C 003 - H 013 = 1.044 C 003 - H 014 = 1.023 C 004 - C 005 = 1.522 C 004 - O 008 = 1.200 C 005 - C 006 = 1.532 C 005 - H 015 = 0.993 C 005 - H 016 = 1.040 C 006 - C 007 = 1.533 C 006 - H 017 = 1.018 C 006 - H 018 = 0.972 C 007 - H 019 = 0.993 C 007 - H 020 = 1.055 C 007 - C 023 = 1.526 C 021 - C 024 = 1.531 C 021 - C 025 = 1.522 C 021 - H 034 = 0.957 C 021 - H 035 = 0.962 C 022 - C 023 = 1.520 C 022 - C 024 = 1.520 C 022 - H 030 = 1.032 C 022 - H 031 = 0.979 C 023 - H 028 = 0.979 C 023 - H 029 = 0.958 C 024 - H 032 = 1.044 C 024 - H 033 = 1.023 C 025 - C 026 = 1.532 C 025 - H 036 = 0.993 C 025 - H 037 = 1.040 C 026 - C 027 = 1.533 C 026 - H 038 = 1.018 C 026 - H 039 = 0.972 C 027 - H 040 = 0.993 C 027 - H 041 = 1.055