1M7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O16 | C12 | doub | 1.21Å | 1.24Å | |
C24 | C8 | sing | 1.53Å | 1.55Å | |
C12 | N13 | sing | 1.35Å | 1.35Å | |
C12 | C10 | sing | 1.51Å | 1.54Å | |
C17 | N13 | sing | 1.47Å | 1.47Å | |
C9 | C8 | sing | 1.53Å | 1.55Å | |
C9 | C10 | sing | 1.52Å | 1.55Å | |
C7 | C8 | sing | 1.53Å | 1.55Å | |
C7 | C4 | sing | 1.51Å | 1.53Å | |
C8 | C25 | sing | 1.53Å | 1.55Å | |
N13 | C14 | sing | 1.37Å | 1.36Å | |
C10 | C5 | sing | 1.50Å | 1.53Å | |
C10 | N15 | sing | 1.47Å | 1.47Å | |
C4 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
C3 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
C2 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
C6 | C1 | sing | 1.39Å | 1.43Å | Aromatic |
C19 | N20 | doub | 1.32Å | 1.34Å | Aromatic |
C19 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
C14 | N15 | doub | 1.30Å | 1.29Å | |
C14 | N18 | sing | 1.37Å | 1.38Å | |
C1 | C11 | sing | 1.48Å | 1.42Å | |
N20 | C21 | sing | 1.32Å | 1.35Å | Aromatic |
C11 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
C21 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
C23 | N22 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C9 | H6 | sing | 1.09Å | 1.10Å | |
C9 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
C17 | H10 | sing | 1.09Å | 1.10Å | |
N18 | H11 | sing | 0.97Å | 1.00Å | |
N18 | H12 | sing | 0.97Å | 1.00Å | |
C19 | H13 | sing | 1.08Å | 1.08Å | |
C21 | H14 | sing | 1.08Å | 1.08Å | |
C23 | H15 | sing | 1.08Å | 1.08Å | |
C24 | H16 | sing | 1.09Å | 1.10Å | |
C24 | H17 | sing | 1.09Å | 1.10Å | |
C24 | H18 | sing | 1.09Å | 1.10Å | |
C25 | H19 | sing | 1.09Å | 1.10Å | |
C25 | H20 | sing | 1.09Å | 1.10Å | |
C25 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O16 | C12 | N13 | 126.7° | 127.5° |
O16 | C12 | C10 | 124.9° | 127.6° |
C24 | C8 | C9 | 107.8° | 109.8° |
C24 | C8 | C7 | 110.4° | 109.7° |
C24 | C8 | C25 | 107.8° | 109.7° |
C8 | C24 | H16 | 109.5° | 109.4° |
C8 | C24 | H17 | 109.5° | 109.5° |
C8 | C24 | H18 | 109.5° | 109.5° |
N13 | C12 | C10 | 108.4° | 104.9° |
C12 | N13 | C17 | 124.6° | 124.6° |
C12 | N13 | C14 | 107.6° | 110.6° |
C12 | C10 | C9 | 108.8° | 110.2° |
C12 | C10 | C5 | 107.8° | 110.1° |
C12 | C10 | N15 | 100.3° | 104.3° |
C17 | N13 | C14 | 127.8° | 124.7° |
N13 | C17 | H8 | 109.5° | 109.5° |
N13 | C17 | H9 | 109.5° | 109.4° |
N13 | C17 | H10 | 109.5° | 109.5° |
C8 | C9 | C10 | 113.1° | 108.4° |
C9 | C8 | C7 | 109.2° | 108.4° |
C9 | C8 | C25 | 110.8° | 109.6° |
C8 | C9 | H6 | 108.6° | 109.7° |
C8 | C9 | H7 | 108.6° | 109.6° |
C9 | C10 | C5 | 116.9° | 111.4° |
C9 | C10 | N15 | 110.3° | 110.4° |
C10 | C9 | H6 | 108.6° | 109.7° |
C10 | C9 | H7 | 108.6° | 109.7° |
C8 | C7 | C4 | 115.1° | 110.8° |
C7 | C8 | C25 | 110.8° | 109.7° |
C8 | C7 | H4 | 108.1° | 109.3° |
C8 | C7 | H5 | 108.1° | 109.2° |
C7 | C4 | C3 | 120.6° | 117.8° |
C7 | C4 | C5 | 120.3° | 122.4° |
C4 | C7 | H4 | 108.1° | 109.2° |
C4 | C7 | H5 | 108.0° | 109.2° |
C8 | C25 | H19 | 109.5° | 109.4° |
C8 | C25 | H20 | 109.4° | 109.5° |
C8 | C25 | H21 | 109.5° | 109.4° |
N13 | C14 | N15 | 114.4° | 112.8° |
N13 | C14 | N18 | 118.8° | 123.6° |
C5 | C10 | N15 | 111.4° | 110.2° |
C10 | C5 | C4 | 120.9° | 122.3° |
C10 | C5 | C6 | 119.4° | 117.9° |
C10 | N15 | C14 | 109.4° | 107.4° |
C3 | C4 | C5 | 119.1° | 119.9° |
C4 | C3 | C2 | 121.1° | 120.8° |
C4 | C3 | H2 | 119.5° | 119.7° |
C4 | C5 | C6 | 119.7° | 119.8° |
C3 | C2 | C1 | 120.0° | 119.6° |
C3 | C2 | H1 | 120.0° | 120.2° |
C2 | C3 | H2 | 119.5° | 119.6° |
C5 | C6 | C1 | 121.4° | 120.4° |
C5 | C6 | H3 | 119.3° | 119.8° |
C2 | C1 | C6 | 118.7° | 119.6° |
C2 | C1 | C11 | 122.2° | 120.2° |
C1 | C2 | H1 | 120.0° | 120.2° |
C6 | C1 | C11 | 119.2° | 120.2° |
C1 | C6 | H3 | 119.3° | 119.8° |
N20 | C19 | C11 | 120.9° | 119.0° |
C19 | N20 | C21 | 117.3° | 120.9° |
N20 | C19 | H13 | 119.6° | 120.5° |
C19 | C11 | C1 | 121.5° | 120.9° |
C19 | C11 | C23 | 116.7° | 118.2° |
C11 | C19 | H13 | 119.6° | 120.6° |
N15 | C14 | N18 | 126.8° | 123.6° |
C14 | N18 | H11 | 120.0° | 120.1° |
C14 | N18 | H12 | 120.0° | 120.0° |
C1 | C11 | C23 | 121.7° | 121.0° |
N20 | C21 | N22 | 126.6° | 122.0° |
N20 | C21 | H14 | 116.7° | 119.0° |
C11 | C23 | N22 | 121.6° | 119.0° |
C11 | C23 | H15 | 119.2° | 120.5° |
C21 | N22 | C23 | 116.9° | 120.9° |
N22 | C21 | H14 | 116.7° | 119.0° |
N22 | C23 | H15 | 119.2° | 120.5° |
H4 | C7 | H5 | 109.5° | 109.2° |
H6 | C9 | H7 | 109.4° | 109.7° |
H8 | C17 | H9 | 109.5° | 109.5° |
H8 | C17 | H10 | 109.5° | 109.5° |
H9 | C17 | H10 | 109.4° | 109.4° |
H11 | N18 | H12 | 120.0° | 120.0° |
H16 | C24 | H17 | 109.5° | 109.5° |
H16 | C24 | H18 | 109.4° | 109.5° |
H17 | C24 | H18 | 109.5° | 109.5° |
H19 | C25 | H20 | 109.5° | 109.5° |
H19 | C25 | H21 | 109.5° | 109.5° |
H20 | C25 | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O16 | C12 | N13 | C10 | 179.5° | 180.0° |
O16 | C12 | N13 | C17 | 0.4° | 0.0° |
O16 | C12 | C10 | C9 | 63.9° | 61.5° |
O16 | C12 | N13 | C14 | 179.9° | 180.0° |
O16 | C12 | C10 | C5 | 63.8° | 61.8° |
O16 | C12 | C10 | N15 | 179.6° | 180.0° |
C24 | C8 | C9 | C7 | 119.9° | 119.8° |
C24 | C8 | C9 | C25 | 117.7° | 120.5° |
C24 | C8 | C9 | C10 | 175.3° | 171.1° |
C24 | C8 | C7 | C25 | 119.3° | 120.5° |
C24 | C8 | C7 | C4 | 168.8° | 171.4° |
C24 | C8 | C7 | H4 | 70.3° | 51.0° |
C24 | C8 | C7 | H5 | 48.0° | 68.3° |
C24 | C8 | C9 | H6 | 54.8° | 69.1° |
C24 | C8 | C9 | H7 | 64.1° | 51.4° |
C8 | C24 | H16 | H17 | 120.0° | 120.0° |
C8 | C24 | H16 | H18 | 120.0° | 120.0° |
C8 | C24 | H17 | H18 | 120.0° | 120.0° |
C24 | C8 | C25 | H19 | 180.0° | 179.6° |
C24 | C8 | C25 | H20 | 60.0° | 59.5° |
C24 | C8 | C25 | H21 | 60.0° | 60.4° |
C12 | N13 | C17 | C14 | 179.7° | 180.0° |
N13 | C12 | C10 | C9 | 115.5° | 118.5° |
N13 | C12 | C10 | C5 | 116.8° | 118.3° |
N13 | C12 | C10 | N15 | 0.1° | 0.0° |
C12 | N13 | C14 | N15 | 0.6° | 0.0° |
C12 | N13 | C14 | N18 | 179.6° | 180.0° |
C12 | N13 | C17 | H8 | 180.0° | 90.0° |
C12 | N13 | C17 | H9 | 60.0° | 150.0° |
C12 | N13 | C17 | H10 | 60.0° | 30.0° |
C10 | C12 | N13 | C17 | 179.8° | 180.0° |
C12 | C10 | C9 | C8 | 155.5° | 172.7° |
C12 | C10 | C9 | C5 | 122.3° | 122.5° |
C12 | C10 | C9 | N15 | 109.0° | 114.7° |
C10 | C12 | N13 | C14 | 0.4° | 0.0° |
C12 | C10 | C5 | N15 | 109.1° | 114.5° |
C12 | C10 | C5 | C4 | 126.5° | 139.9° |
C12 | C10 | C5 | C6 | 52.1° | 40.7° |
C12 | C10 | N15 | C14 | 0.2° | 0.0° |
C12 | C10 | C9 | H6 | 35.0° | 52.9° |
C12 | C10 | C9 | H7 | 83.9° | 67.6° |
C17 | N13 | C14 | N15 | 179.7° | 180.0° |
C17 | N13 | C14 | N18 | 0.1° | 0.0° |
N13 | C17 | H8 | H9 | 120.0° | 120.0° |
N13 | C17 | H8 | H10 | 120.0° | 120.0° |
N13 | C17 | H9 | H10 | 120.0° | 120.0° |
C8 | C9 | C10 | H6 | 120.6° | 119.8° |
C8 | C9 | C10 | H7 | 120.6° | 119.7° |
C9 | C8 | C7 | C25 | 122.4° | 119.6° |
C9 | C8 | C7 | C4 | 50.5° | 51.5° |
C8 | C9 | C10 | C5 | 33.2° | 50.2° |
C8 | C9 | C10 | N15 | 95.4° | 72.6° |
C9 | C8 | C7 | H4 | 171.4° | 68.8° |
C9 | C8 | C7 | H5 | 70.3° | 171.8° |
C8 | C9 | H6 | H7 | 118.4° | 120.5° |
C9 | C8 | C24 | H16 | 180.0° | 179.1° |
C9 | C8 | C24 | H17 | 60.0° | 61.0° |
C9 | C8 | C24 | H18 | 60.0° | 59.1° |
C9 | C8 | C25 | H19 | 62.3° | 59.0° |
C9 | C8 | C25 | H20 | 57.7° | 61.1° |
C9 | C8 | C25 | H21 | 177.7° | 179.0° |
C10 | C9 | C8 | C7 | 55.4° | 69.1° |
C10 | C9 | C8 | C25 | 66.9° | 50.5° |
C9 | C10 | C5 | N15 | 128.1° | 122.9° |
C9 | C10 | C5 | C4 | 3.7° | 17.3° |
C9 | C10 | C5 | C6 | 174.9° | 163.3° |
C9 | C10 | N15 | C14 | 114.7° | 118.4° |
C10 | C9 | H6 | H7 | 118.3° | 120.5° |
C8 | C7 | C4 | H4 | 120.8° | 120.4° |
C8 | C7 | C4 | H5 | 120.8° | 120.3° |
C8 | C7 | C4 | C3 | 156.7° | 161.7° |
C8 | C7 | C4 | C5 | 22.7° | 18.6° |
C8 | C7 | H4 | H5 | 117.5° | 119.4° |
C7 | C8 | C9 | H6 | 65.1° | 50.6° |
C7 | C8 | C9 | H7 | 176.0° | 171.2° |
C7 | C8 | C24 | H16 | 60.9° | 60.0° |
C7 | C8 | C24 | H17 | 179.1° | 180.0° |
C7 | C8 | C24 | H18 | 59.1° | 60.0° |
C7 | C8 | C25 | H19 | 59.1° | 59.9° |
C7 | C8 | C25 | H20 | 179.1° | 180.0° |
C7 | C8 | C25 | H21 | 60.9° | 60.1° |
C4 | C7 | C8 | C25 | 71.8° | 68.1° |
C7 | C4 | C5 | C10 | 1.7° | 1.0° |
C7 | C4 | C3 | C5 | 179.4° | 179.7° |
C7 | C4 | C3 | C2 | 179.6° | 179.4° |
C7 | C4 | C5 | C6 | 179.7° | 179.6° |
C7 | C4 | C3 | H2 | 0.3° | 0.6° |
C4 | C7 | H4 | H5 | 117.4° | 119.3° |
C25 | C8 | C7 | H4 | 49.0° | 171.5° |
C25 | C8 | C7 | H5 | 167.4° | 52.2° |
C25 | C8 | C9 | H6 | 172.5° | 170.3° |
C25 | C8 | C9 | H7 | 53.6° | 69.2° |
C25 | C8 | C24 | H16 | 60.3° | 60.4° |
C25 | C8 | C24 | H17 | 59.7° | 59.5° |
C25 | C8 | C24 | H18 | 179.7° | 179.6° |
C8 | C25 | H19 | H20 | 120.0° | 120.0° |
C8 | C25 | H19 | H21 | 120.0° | 119.9° |
C8 | C25 | H20 | H21 | 120.0° | 119.9° |
N13 | C14 | N15 | C10 | 0.5° | 0.0° |
N13 | C14 | N15 | N18 | 179.8° | 180.0° |
C14 | N13 | C17 | H8 | 0.3° | 90.0° |
C14 | N13 | C17 | H9 | 119.7° | 30.0° |
C14 | N13 | C17 | H10 | 120.3° | 150.0° |
N13 | C14 | N18 | H11 | 179.7° | 0.0° |
N13 | C14 | N18 | H12 | 0.3° | 180.0° |
C10 | C5 | C4 | C3 | 178.8° | 179.3° |
C10 | C5 | C4 | C6 | 178.6° | 179.4° |
C10 | C5 | C6 | C1 | 179.0° | 179.8° |
C5 | C10 | N15 | C14 | 113.7° | 118.2° |
C10 | C5 | C6 | H3 | 1.1° | 0.9° |
C5 | C10 | C9 | H6 | 87.4° | 69.6° |
C5 | C10 | C9 | H7 | 153.8° | 169.9° |
N15 | C10 | C5 | C4 | 124.4° | 105.6° |
N15 | C10 | C5 | C6 | 57.0° | 73.8° |
C10 | N15 | C14 | N18 | 179.8° | 180.0° |
N15 | C10 | C9 | H6 | 144.0° | 167.6° |
N15 | C10 | C9 | H7 | 25.1° | 47.1° |
C4 | C3 | C2 | H2 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.1° |
C4 | C3 | C2 | C1 | 0.3° | 0.0° |
C4 | C3 | C2 | H1 | 179.7° | 179.9° |
C3 | C4 | C7 | H4 | 35.9° | 77.9° |
C3 | C4 | C7 | H5 | 82.5° | 41.4° |
C5 | C4 | C3 | C2 | 0.2° | 0.3° |
C4 | C5 | C6 | C1 | 0.4° | 0.4° |
C5 | C4 | C3 | H2 | 179.8° | 179.7° |
C4 | C5 | C6 | H3 | 179.7° | 179.7° |
C5 | C4 | C7 | H4 | 143.6° | 101.8° |
C5 | C4 | C7 | H5 | 98.1° | 138.9° |
C3 | C2 | C1 | H1 | 180.0° | 179.9° |
C3 | C2 | C1 | C6 | 0.3° | 0.5° |
C3 | C2 | C1 | C11 | 179.2° | 179.9° |
C5 | C6 | C1 | C2 | 0.4° | 0.7° |
C5 | C6 | C1 | H3 | 180.0° | 179.3° |
C5 | C6 | C1 | C11 | 179.3° | 179.7° |
C2 | C1 | C6 | C11 | 178.9° | 179.6° |
C2 | C1 | C11 | C19 | 43.2° | 179.7° |
C2 | C1 | C11 | C23 | 139.4° | 0.1° |
C1 | C2 | C3 | H2 | 179.7° | 180.0° |
C2 | C1 | C6 | H3 | 179.6° | 180.0° |
C6 | C1 | C11 | C19 | 135.6° | 0.1° |
C6 | C1 | C11 | C23 | 41.8° | 179.7° |
C6 | C1 | C2 | H1 | 179.6° | 179.6° |
N20 | C19 | C11 | H13 | 180.0° | 180.0° |
N20 | C19 | C11 | C1 | 178.8° | 180.0° |
N20 | C19 | C11 | C23 | 1.3° | 0.2° |
C19 | N20 | C21 | N22 | 0.3° | 0.0° |
C19 | N20 | C21 | H14 | 179.7° | 180.0° |
C19 | C11 | C1 | C23 | 177.4° | 179.8° |
C11 | C19 | N20 | C21 | 0.7° | 0.0° |
C19 | C11 | C23 | N22 | 1.0° | 0.5° |
C19 | C11 | C23 | H15 | 179.1° | 179.7° |
N15 | C14 | N18 | H11 | 0.0° | 180.0° |
N15 | C14 | N18 | H12 | 180.0° | 0.0° |
C14 | N18 | H11 | H12 | 180.0° | 179.9° |
C1 | C11 | C23 | N22 | 178.5° | 179.7° |
C11 | C1 | C2 | H1 | 0.8° | 0.0° |
C11 | C1 | C6 | H3 | 0.8° | 0.3° |
C1 | C11 | C19 | H13 | 1.3° | 0.0° |
C1 | C11 | C23 | H15 | 1.6° | 0.1° |
N20 | C21 | N22 | H14 | 180.0° | 180.0° |
N20 | C21 | N22 | C23 | 0.6° | 0.3° |
C21 | N20 | C19 | H13 | 179.3° | 180.0° |
C11 | C23 | N22 | C21 | 0.1° | 0.6° |
C11 | C23 | N22 | H15 | 180.0° | 179.8° |
C23 | C11 | C19 | H13 | 178.7° | 179.8° |
C21 | N22 | C23 | H15 | 179.9° | 179.7° |
C23 | N22 | C21 | H14 | 179.4° | 179.7° |
H1 | C2 | C3 | H2 | 0.3° | 0.1° |
H8 | C17 | H9 | H10 | 120.0° | 120.0° |
H16 | C24 | H17 | H18 | 120.0° | 120.0° |
H19 | C25 | H20 | H21 | 120.0° | 120.1° |