1.00000000 1.00000000 1.00000000 < LEN 
90.0000000 90.0000000 90.0000000 < ANG 
-2.5958464 -1.1092113 0.22806965 O 001 
-1.7618316 -0.2888402 -0.0391583 C 002 
-1.3227207 0.56409571 1.12612917 C 003 
-0.1291886 0.01730281 1.92635773 C 004 
1.22701356 0.03151841 1.24700962 C 005 
1.33682845 -0.8858954 0.02369950 C 006 
1.30619262 -0.1644537 -1.3253262 C 007 
0.07400311 0.69965161 -1.5695047 C 008 
-1.2305220 -0.0547905 -1.4341186 C 009 
-2.0920892 0.64228151 1.74261945 H 010 
-1.1477800 1.51451011 0.83118088 H 011 
-0.3263227 -0.9757583 2.20921797 H 012 
-0.0847123 0.56815731 2.77252085 H 013 
1.90060420 -0.2685322 1.91668729 H 014 
1.43001949 1.02762581 0.99557829 H 015 
0.60267275 -1.6108910 0.04304037 H 016 
2.16529022 -1.4362422 0.06721646 H 017 
1.35346127 -0.8559411 -2.0892907 H 018 
2.14300695 0.44834011 -1.3881841 H 019 
0.14830168 1.09514991 -2.5051194 H 020 
0.04189581 1.56375701 -0.9481792 H 021 
-1.1090880 -0.9447886 -1.8813763 H 022 
-1.9291882 0.42295511 -1.9490693 H 023 
O 001 - C 002 = 1.200 � 
C 002 - C 003 = 1.509 � 
C 002 - C 009 = 1.511 � 
C 003 - C 004 = 1.537 � 
C 003 - H 010 = 0.989 � 
C 003 - H 011 = 1.010 � 
C 004 - C 005 = 1.517 � 
C 004 - H 012 = 1.051 � 
C 004 - H 013 = 1.011 � 
C 005 - C 006 = 1.533 � 
C 005 - H 014 = 0.996 � 
C 005 - H 015 = 1.047 � 
C 006 - C 007 = 1.530 � 
C 006 - H 016 = 1.032 � 
C 006 - H 017 = 0.996 � 
C 007 - C 008 = 1.525 � 
C 007 - H 018 = 1.032 � 
C 007 - H 019 = 1.039 � 
C 008 - C 009 = 1.513 � 
C 008 - H 020 = 1.018 � 
C 008 - H 021 = 1.065 � 
C 009 - H 022 = 1.003 � 
C 009 - H 023 = 0.991 �