V6M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C08 | sing | 1.51Å | 1.53Å | |
C13 | C08 | doub | 1.38Å | 1.49Å | Aromatic |
C13 | C12 | sing | 1.39Å | 1.49Å | Aromatic |
C08 | C05 | sing | 1.39Å | 1.55Å | Aromatic |
C12 | C11 | doub | 1.37Å | 1.50Å | Aromatic |
C05 | N02 | sing | 1.37Å | 1.35Å | Aromatic |
C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
O10 | C06 | doub | 1.22Å | 1.26Å | |
N02 | C01 | sing | 1.38Å | 1.34Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
C16 | C07 | sing | 1.40Å | 1.56Å | Aromatic |
C11 | C04 | sing | 1.40Å | 1.57Å | Aromatic |
C04 | C03 | sing | 1.47Å | 1.36Å | Aromatic |
C01 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
C01 | C06 | sing | 1.47Å | 1.51Å | |
C17 | C19 | sing | 1.38Å | 1.55Å | Aromatic |
C03 | C07 | sing | 1.48Å | 1.52Å | |
C06 | O09 | sing | 1.35Å | 1.26Å | |
C07 | C15 | doub | 1.40Å | 1.52Å | Aromatic |
C19 | C18 | doub | 1.38Å | 1.52Å | Aromatic |
C15 | C18 | sing | 1.38Å | 1.51Å | Aromatic |
C11 | H1 | sing | 1.08Å | 1.08Å | |
C12 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.09Å | 1.10Å | |
C14 | H5 | sing | 1.09Å | 1.10Å | |
C14 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.08Å | 1.08Å | |
C16 | H8 | sing | 1.08Å | 1.08Å | |
C17 | H9 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.08Å | 1.08Å | |
N02 | H12 | sing | 0.97Å | 1.00Å | |
O09 | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C08 | C13 | 121.2° | 120.1° |
C14 | C08 | C05 | 119.2° | 120.1° |
C08 | C14 | H4 | 109.5° | 109.4° |
C08 | C14 | H5 | 109.5° | 109.5° |
C08 | C14 | H6 | 109.5° | 109.5° |
C08 | C13 | C12 | 119.3° | 120.7° |
C13 | C08 | C05 | 119.5° | 119.8° |
C08 | C13 | H3 | 120.3° | 119.6° |
C13 | C12 | C11 | 120.4° | 120.5° |
C13 | C12 | H2 | 119.8° | 119.7° |
C12 | C13 | H3 | 120.4° | 119.7° |
C08 | C05 | N02 | 129.9° | 132.8° |
C08 | C05 | C04 | 122.1° | 119.2° |
C12 | C11 | C04 | 119.4° | 119.8° |
C12 | C11 | H1 | 120.3° | 120.1° |
C11 | C12 | H2 | 119.8° | 119.8° |
N02 | C05 | C04 | 107.9° | 108.0° |
C05 | N02 | C01 | 108.8° | 110.1° |
C05 | N02 | H12 | 125.6° | 125.0° |
C05 | C04 | C11 | 119.2° | 120.0° |
C05 | C04 | C03 | 107.9° | 106.4° |
O10 | C06 | C01 | 118.2° | 120.0° |
O10 | C06 | O09 | 122.9° | 120.0° |
N02 | C01 | C03 | 108.6° | 109.0° |
N02 | C01 | C06 | 122.4° | 125.5° |
C01 | N02 | H12 | 125.6° | 125.0° |
C17 | C16 | C07 | 118.6° | 119.9° |
C16 | C17 | C19 | 116.6° | 120.1° |
C17 | C16 | H8 | 120.7° | 120.1° |
C16 | C17 | H9 | 121.7° | 119.9° |
C16 | C07 | C03 | 120.9° | 120.2° |
C16 | C07 | C15 | 122.7° | 119.7° |
C07 | C16 | H8 | 120.7° | 120.0° |
C11 | C04 | C03 | 132.9° | 133.6° |
C04 | C11 | H1 | 120.3° | 120.1° |
C04 | C03 | C01 | 106.9° | 106.5° |
C04 | C03 | C07 | 127.3° | 126.7° |
C03 | C01 | C06 | 129.1° | 125.5° |
C01 | C03 | C07 | 125.8° | 126.8° |
C01 | C06 | O09 | 118.9° | 120.0° |
C17 | C19 | C18 | 124.8° | 120.3° |
C19 | C17 | H9 | 121.7° | 120.0° |
C17 | C19 | H11 | 117.6° | 119.8° |
C03 | C07 | C15 | 116.4° | 120.1° |
C06 | O09 | H13 | 109.5° | 114.0° |
C07 | C15 | C18 | 119.4° | 119.9° |
C07 | C15 | H7 | 120.3° | 120.1° |
C19 | C18 | C15 | 117.8° | 120.1° |
C19 | C18 | H10 | 121.1° | 119.9° |
C18 | C19 | H11 | 117.6° | 119.8° |
C18 | C15 | H7 | 120.3° | 120.0° |
C15 | C18 | H10 | 121.1° | 120.0° |
H4 | C14 | H5 | 109.4° | 109.5° |
H4 | C14 | H6 | 109.4° | 109.5° |
H5 | C14 | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C08 | C13 | C05 | 177.2° | 179.9° |
C14 | C08 | C13 | C12 | 179.9° | 179.3° |
C14 | C08 | C05 | N02 | 1.3° | 0.1° |
C14 | C08 | C05 | C04 | 179.4° | 179.5° |
C14 | C08 | C13 | H3 | 0.1° | 0.0° |
C08 | C14 | H4 | H5 | 120.0° | 120.0° |
C08 | C14 | H4 | H6 | 120.0° | 120.0° |
C08 | C14 | H5 | H6 | 120.0° | 120.0° |
C08 | C13 | C12 | H3 | 180.0° | 179.3° |
C08 | C13 | C12 | C11 | 2.8° | 0.6° |
C13 | C08 | C05 | N02 | 178.6° | 180.0° |
C13 | C08 | C05 | C04 | 2.1° | 0.5° |
C08 | C13 | C12 | H2 | 177.2° | 179.6° |
C13 | C08 | C14 | H4 | 91.4° | 90.0° |
C13 | C08 | C14 | H5 | 148.6° | 30.0° |
C13 | C08 | C14 | H6 | 28.6° | 150.0° |
C12 | C13 | C08 | C05 | 2.8° | 0.7° |
C13 | C12 | C11 | H2 | 180.0° | 179.8° |
C13 | C12 | C11 | C04 | 2.0° | 0.3° |
C13 | C12 | C11 | H1 | 178.0° | 179.8° |
C08 | C05 | N02 | C04 | 179.3° | 179.5° |
C08 | C05 | N02 | C01 | 179.0° | 180.0° |
C08 | C05 | C04 | C11 | 1.2° | 0.2° |
C08 | C05 | C04 | C03 | 179.4° | 179.9° |
C05 | C08 | C13 | H3 | 177.2° | 180.0° |
C05 | C08 | C14 | H4 | 91.3° | 90.0° |
C05 | C08 | C14 | H5 | 28.7° | 150.0° |
C05 | C08 | C14 | H6 | 148.7° | 29.9° |
C08 | C05 | N02 | H12 | 1.0° | 0.5° |
C12 | C11 | C04 | C05 | 1.2° | 0.1° |
C12 | C11 | C04 | H1 | 180.0° | 179.9° |
C12 | C11 | C04 | C03 | 179.7° | 180.0° |
C11 | C12 | C13 | H3 | 177.2° | 179.9° |
C05 | N02 | C01 | H12 | 180.0° | 179.5° |
N02 | C05 | C04 | C11 | 179.4° | 179.8° |
N02 | C05 | C04 | C03 | 0.0° | 0.3° |
C05 | N02 | C01 | C03 | 0.6° | 0.5° |
C05 | N02 | C01 | C06 | 179.7° | 179.8° |
C04 | C05 | N02 | C01 | 0.4° | 0.5° |
C05 | C04 | C11 | C03 | 179.2° | 179.9° |
C05 | C04 | C03 | C01 | 0.3° | 0.0° |
C05 | C04 | C03 | C07 | 179.3° | 180.0° |
C05 | C04 | C11 | H1 | 178.8° | 180.0° |
C04 | C05 | N02 | H12 | 179.7° | 180.0° |
O10 | C06 | C01 | N02 | 123.1° | 179.7° |
O10 | C06 | C01 | C03 | 57.2° | 0.1° |
O10 | C06 | C01 | O09 | 179.9° | 179.9° |
O10 | C06 | O09 | H13 | 0.0° | 0.1° |
N02 | C01 | C03 | C04 | 0.6° | 0.3° |
N02 | C01 | C03 | C06 | 179.7° | 179.6° |
N02 | C01 | C03 | C07 | 179.6° | 179.7° |
N02 | C01 | C06 | O09 | 56.8° | 0.4° |
C17 | C16 | C07 | H8 | 180.0° | 179.9° |
C16 | C17 | C19 | H9 | 180.0° | 180.0° |
C17 | C16 | C07 | C03 | 178.5° | 180.0° |
C17 | C16 | C07 | C15 | 1.5° | 0.2° |
C16 | C17 | C19 | C18 | 2.4° | 0.3° |
C16 | C17 | C19 | H11 | 177.6° | 180.0° |
C16 | C07 | C03 | C04 | 40.1° | 64.8° |
C16 | C07 | C03 | C01 | 138.7° | 115.2° |
C07 | C16 | C17 | C19 | 2.3° | 0.1° |
C16 | C07 | C03 | C15 | 180.0° | 179.8° |
C16 | C07 | C15 | C18 | 0.5° | 0.2° |
C16 | C07 | C15 | H7 | 179.5° | 179.8° |
C07 | C16 | C17 | H9 | 177.7° | 179.9° |
C11 | C04 | C03 | C01 | 179.6° | 179.9° |
C11 | C04 | C03 | C07 | 1.4° | 0.1° |
C04 | C11 | C12 | H2 | 178.0° | 180.0° |
C04 | C03 | C01 | C07 | 179.0° | 180.0° |
C04 | C03 | C01 | C06 | 179.7° | 179.9° |
C04 | C03 | C07 | C15 | 139.9° | 115.0° |
C03 | C04 | C11 | H1 | 0.4° | 0.1° |
C03 | C01 | C06 | O09 | 122.9° | 180.0° |
C01 | C03 | C07 | C15 | 41.3° | 64.9° |
C03 | C01 | N02 | H12 | 179.4° | 180.0° |
C06 | C01 | C03 | C07 | 0.7° | 0.1° |
C06 | C01 | N02 | H12 | 0.3° | 0.4° |
C01 | C06 | O09 | H13 | 179.9° | 180.0° |
C17 | C19 | C18 | H11 | 180.0° | 179.7° |
C17 | C19 | C18 | C15 | 1.5° | 0.3° |
C19 | C17 | C16 | H8 | 177.7° | 179.9° |
C17 | C19 | C18 | H10 | 178.5° | 179.7° |
C03 | C07 | C15 | C18 | 179.5° | 179.9° |
C03 | C07 | C15 | H7 | 0.5° | 0.0° |
C03 | C07 | C16 | H8 | 1.5° | 0.1° |
C07 | C15 | C18 | C19 | 0.4° | 0.0° |
C07 | C15 | C18 | H7 | 180.0° | 180.0° |
C15 | C07 | C16 | H8 | 178.5° | 179.7° |
C07 | C15 | C18 | H10 | 179.5° | 180.0° |
C19 | C18 | C15 | H10 | 180.0° | 180.0° |
C19 | C18 | C15 | H7 | 179.5° | 180.0° |
C18 | C19 | C17 | H9 | 177.5° | 179.7° |
C15 | C18 | C19 | H11 | 178.6° | 179.9° |
H1 | C11 | C12 | H2 | 2.0° | 0.1° |
H2 | C12 | C13 | H3 | 2.8° | 0.3° |
H4 | C14 | H5 | H6 | 120.0° | 120.0° |
H7 | C15 | C18 | H10 | 0.5° | 0.0° |
H8 | C16 | C17 | H9 | 2.3° | 0.0° |
H9 | C17 | C19 | H11 | 2.4° | 0.0° |
H10 | C18 | C19 | H11 | 1.5° | 0.0° |