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- 1.00000000 1.00000000 1.00000000 < LEN
- 90.0000000 90.0000000 90.0000000 < ANG
- -1.9702343 0.72272383 -1.5726747 O 001
- -0.9735344 0.02163463 -1.5352972 C 002
- 0.26934423 0.41714863 -2.3108805 C 003
- 1.63839934 0.30337063 -1.6217327 C 004
- 1.89383898 1.31924563 -0.5074157 C 005
- 0.89826603 1.26289843 0.65595916 C 006
- 0.94747514 -0.0401305 1.46424779 C 007
- -0.3232178 -0.3462475 2.26786422 C 008
- -1.6619966 -0.3018199 1.51564186 C 009
- -1.9090113 -1.3523701 0.42468583 C 010
- -0.9934925 -1.3052335 -0.8087719 C 011
- 0.13840399 1.32737263 -2.6496142 H 012
- 2.34386901 0.42581743 -2.3178888 H 013
- 1.86600332 2.24572363 -0.9068879 H 014
- -0.0137706 1.40755903 0.30320892 H 015
- 1.69591334 0.00592243 2.10433762 H 016
- -0.3957122 0.32558443 3.03176705 H 017
- -1.7752324 0.61111303 1.12084192 H 018
- -2.8422638 -1.2472609 0.12800185 H 019
- -1.3153516 -1.9380559 -1.4675505 H 020
- 0.26634541 -0.1869583 -3.1098248 H 021
- 1.76140333 -0.6301507 -1.2806630 H 022
- 2.81009216 1.19950783 -0.1780264 H 023
- 1.02854405 2.03713063 1.25867149 H 024
- 1.15085905 -0.8143627 0.86854374 H 025
- -0.2238891 -1.2299233 2.67668072 H 026
- -2.3848822 -0.4177651 2.20245358 H 027
- -1.8480287 -2.2544671 0.83817452 H 028
- -0.0781393 -1.5680065 -0.5938512 H 029
- O 001 - C 002 = 1.219 Å
- C 002 - C 003 = 1.517 Å
- C 002 - C 011 = 1.513 Å
- C 003 - C 004 = 1.537 Å
- C 003 - H 012 = 0.980 Å
- C 003 - H 021 = 1.002 Å
- C 004 - C 005 = 1.529 Å
- C 004 - H 013 = 0.999 Å
- C 004 - H 022 = 1.001 Å
- C 005 - C 006 = 1.532 Å
- C 005 - H 014 = 1.009 Å
- C 005 - H 023 = 0.981 Å
- C 006 - C 007 = 1.534 Å
- C 006 - H 015 = 0.989 Å
- C 006 - H 024 = 0.990 Å
- C 007 - C 008 = 1.534 Å
- C 007 - H 016 = 0.986 Å
- C 007 - H 025 = 0.998 Å
- C 008 - C 009 = 1.536 Å
- C 008 - H 017 = 1.020 Å
- C 008 - H 026 = 0.979 Å
- C 009 - C 010 = 1.535 Å
- C 009 - H 018 = 1.001 Å
- C 009 - H 027 = 1.004 Å
- C 010 - C 011 = 1.537 Å
- C 010 - H 019 = 0.985 Å
- C 010 - H 028 = 0.994 Å
- C 011 - H 020 = 0.969 Å
- C 011 - H 029 = 0.976 Å
-