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- 1.00000000 1.00000000 1.00000000 < LEN
- 90.0000000 90.0000000 90.0000000 < ANG
- -0.7318026 0.05605863 0.94317685 C 001
- 0.61179882 0.87439277 0.92442655 C 002
- 1.12568038 0.67678141 -0.5143464 C 003
- 0.00441732 -0.2045015 -1.1743570 C 004
- 0.12883850 -1.5503304 -0.4805959 C 005
- -0.3018501 -1.3909664 0.78067425 C 006
- -1.2545188 0.35486613 -0.4755958 C 007
- 0.42479894 1.95249023 0.99817773 H 008
- 1.14629454 1.68396189 -0.9331031 H 009
- -1.3767313 0.29351099 1.79569049 H 010
- 1.30310940 0.56522661 1.72068929 H 011
- 2.12252226 0.22737493 -0.6143480 H 012
- 0.04122832 -0.2092824 -2.2681245 H 013
- 0.60001930 -2.4252388 -0.9106028 H 014
- -0.2422163 -2.1089013 1.59068721 H 015
- -1.4422549 1.42101129 -0.6693489 H 016
- -2.1593332 -0.2164538 -0.7130996 H 017
- C 001 - C 002 = 1.573 Å
- C 001 - C 006 = 1.518 Å
- C 001 - C 007 = 1.541 Å
- C 001 - H 010 = 1.095 Å
- C 002 - C 003 = 1.541 Å
- C 002 - H 008 = 1.097 Å
- C 002 - H 011 = 1.099 Å
- C 003 - C 004 = 1.571 Å
- C 003 - H 009 = 1.091 Å
- C 003 - H 012 = 1.098 Å
- C 004 - C 005 = 1.519 Å
- C 004 - C 007 = 1.545 Å
- C 004 - H 013 = 1.094 Å
- C 005 - C 006 = 1.342 Å
- C 005 - H 014 = 1.083 Å
- C 006 - H 015 = 1.084 Å
- C 007 - H 016 = 1.100 Å
- C 007 - H 017 = 1.096 Å
-