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 � 
C 002 - C 003 = 1.517 � 
C 002 - C 011 = 1.513 � 
C 003 - C 004 = 1.537 � 
C 003 - H 012 = 0.980 � 
C 003 - H 021 = 1.002 � 
C 004 - C 005 = 1.529 � 
C 004 - H 013 = 0.999 � 
C 004 - H 022 = 1.001 � 
C 005 - C 006 = 1.532 � 
C 005 - H 014 = 1.009 � 
C 005 - H 023 = 0.981 � 
C 006 - C 007 = 1.534 � 
C 006 - H 015 = 0.989 � 
C 006 - H 024 = 0.990 � 
C 007 - C 008 = 1.534 � 
C 007 - H 016 = 0.986 � 
C 007 - H 025 = 0.998 � 
C 008 - C 009 = 1.536 � 
C 008 - H 017 = 1.020 � 
C 008 - H 026 = 0.979 � 
C 009 - C 010 = 1.535 � 
C 009 - H 018 = 1.001 � 
C 009 - H 027 = 1.004 � 
C 010 - C 011 = 1.537 � 
C 010 - H 019 = 0.985 � 
C 010 - H 028 = 0.994 � 
C 011 - H 020 = 0.969 � 
C 011 - H 029 = 0.976 �