键 | 键长 | 键 | 键长 | 键角 | 角度(˚) | 键角 | 角度(˚) |
C1-C2 | 1.4019 | H22-C1 | 1.0854 | C1-C2-C3 | 116.8499 | C6-C1-H22 | 120.0861 |
C2-C3 | 1.3899 | H23-C6 | 1.0861 | C2-C3-C4 | 120.4677 | C1-C6-H23 | 118.7272 |
C3-C4 | 1.3813 | H24-C8 | 1.0988 | C3-C4-C5 | 123.5575 | C7-C8-H24 | 106.6950 |
C4-C5 | 1.3851 | H25-C9 | 1.0933 | C2-C1-C6 | 121.7634 | C8-C9-H25 | 108.7889 |
C6-C1 | 1.3996 | H26-C10 | 1.0946 | C3-C4-C7 | 109.5468 | C5-C10-H26 | 111.0920 |
C7-C4 | 1.4932 | H27-C10 | 1.0949 | C4-C7-C8 | 104.2590 | C5-C10-H27 | 107.7405 |
C8-C7 | 1.5519 | H28-C11 | 1.0906 | C7-C8-C9 | 106.4158 | C7-C11-H28 | 111.9703 |
C9-C8 | 1.5426 | H29-C12 | 1.1009 | C4-C5-C10 | 118.4315 | C11-C12-H29 | 107.7938 |
C10-C5 | 1.5241 | H30-C13 | 1.0855 | C4-C7-C11 | 102.3427 | C12-C13-H30 | 116.9572 |
C11-C7 | 1.5483 | H31-C14 | 1.0858 | C7-C11-C12 | 112.1776 | C13-C14-H31 | 121.9278 |
C12-C11 | 1.5397 | H32-C15 | 1.0947 | C11-C12-C13 | 109.6397 | C7-C15-H32 | 107.9181 |
C13-C12 | 1.5147 | H33-C15 | 1.0946 | C12-C13-C14 | 120.1936 | C7-C15-H33 | 109.3682 |
C14-C13 | 1.3382 | H34-C16 | 1.0938 | C4-C7-C15 | 115.2729 | C15-C16-H34 | 109.4590 |
C15-C7 | 1.5462 | H35-C16 | 1.1045 | C7-C15-C16 | 113.5587 | C15-C16-H35 | 110.3450 |
C16-C15 | 1.5255 | H36-C18 | 1.0927 | C15-C16-N17 | 110.4942 | C17-C18-H36 | 109.8741 |
N17-C16 | 1.4625 | H37-C18 | 1.0930 | C16-N17-C18 | 112.3009 | C17-C18-H37 | 109.3784 |
C18-N17 | 1.4569 | H38-C118 | 1.1032 | C1-C2-O19 | 119.6749 | C17-C18-H38 | 113.8972 |
O19-C2 | 1.3729 | H39-C19 | 0.9667 | C11-C12-O20 | 112.1417 | C2-C19-H39 | 109.9483 |
O20-C12 | 1.4290 | H40-C20 | 0.9657 | C2-C3-O21 | 126.0735 | C12-C20-H40 | 108.7627 |
O21-C3 | 1.3784 |
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