G6A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C26 | C25 | sing | 1.51Å | 1.54Å | |
C23 | C22 | sing | 1.53Å | 1.49Å | |
C23 | C19 | sing | 1.53Å | 1.49Å | |
C22 | C19 | sing | 1.53Å | 1.51Å | |
C19 | N16 | sing | 1.46Å | 1.45Å | |
C25 | O21 | sing | 1.34Å | 1.32Å | Aromatic |
C25 | N24 | doub | 1.30Å | 1.36Å | Aromatic |
O21 | C18 | sing | 1.35Å | 1.36Å | Aromatic |
N24 | N20 | sing | 1.29Å | 1.27Å | Aromatic |
N20 | C18 | doub | 1.31Å | 1.37Å | Aromatic |
C18 | C15 | sing | 1.48Å | 1.47Å | Aromatic |
C15 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
C15 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
C12 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
C5 | C11 | sing | 1.51Å | 1.51Å | |
C5 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.48Å | 1.50Å | Aromatic |
C1 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
C1 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
C3 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
C7 | C13 | sing | 1.48Å | 1.50Å | |
C7 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
C13 | O17 | doub | 1.21Å | 1.24Å | |
C13 | N16 | sing | 1.35Å | 1.39Å | |
C14 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
C8 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
C4 | C9 | sing | 1.51Å | 1.53Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C26 | H26B | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H23A | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C11 | H11B | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
N16 | HN16 | sing | 0.97Å | 1.00Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C9 | H9B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | C25 | O21 | 121.5° | 126.2° |
C26 | C25 | N24 | 130.9° | 126.2° |
C25 | C26 | H26 | 109.5° | 109.4° |
C25 | C26 | H26A | 109.5° | 109.5° |
C25 | C26 | H26B | 109.5° | 109.4° |
C22 | C23 | C19 | 60.9° | 60.0° |
C23 | C22 | C19 | 59.5° | 60.0° |
C22 | C23 | H23 | 130.4° | 117.5° |
C22 | C23 | H23A | 135.5° | 117.5° |
C23 | C22 | H22 | 131.2° | 117.5° |
C23 | C22 | H22A | 136.2° | 117.5° |
C23 | C19 | C22 | 59.6° | 60.0° |
C23 | C19 | N16 | 104.1° | 117.5° |
C19 | C23 | H23 | 130.4° | 117.5° |
C19 | C23 | H23A | 135.5° | 117.5° |
C23 | C19 | H19 | 137.3° | 117.5° |
C22 | C19 | N16 | 106.7° | 117.5° |
C19 | C22 | H22 | 131.2° | 117.5° |
C19 | C22 | H22A | 136.3° | 117.5° |
C22 | C19 | H19 | 135.2° | 117.5° |
C19 | N16 | C13 | 124.1° | 120.0° |
N16 | C19 | H19 | 105.9° | 115.6° |
C19 | N16 | HN16 | 118.0° | 120.0° |
O21 | C25 | N24 | 107.6° | 107.6° |
C25 | O21 | C18 | 107.6° | 106.4° |
C25 | N24 | N20 | 109.5° | 109.6° |
O21 | C18 | N20 | 106.5° | 107.2° |
O21 | C18 | C15 | 127.0° | 126.4° |
N24 | N20 | C18 | 108.7° | 109.2° |
N20 | C18 | C15 | 126.5° | 126.4° |
C18 | C15 | C12 | 123.3° | 120.0° |
C18 | C15 | C10 | 118.1° | 120.0° |
C12 | C15 | C10 | 118.6° | 120.0° |
C15 | C12 | C6 | 118.1° | 120.0° |
C15 | C12 | H12 | 121.0° | 120.0° |
C15 | C10 | C5 | 122.2° | 120.0° |
C15 | C10 | H10 | 118.9° | 120.0° |
C12 | C6 | C2 | 123.9° | 120.0° |
C6 | C12 | H12 | 120.9° | 120.0° |
C12 | C6 | H6 | 118.1° | 120.0° |
C6 | C2 | C5 | 118.6° | 120.1° |
C6 | C2 | C1 | 120.4° | 120.0° |
C2 | C6 | H6 | 118.0° | 120.0° |
C10 | C5 | C11 | 120.5° | 120.0° |
C10 | C5 | C2 | 118.6° | 120.0° |
C5 | C10 | H10 | 118.9° | 120.0° |
C11 | C5 | C2 | 120.9° | 120.0° |
C5 | C11 | H11 | 109.5° | 109.5° |
C5 | C11 | H11A | 109.5° | 109.5° |
C5 | C11 | H11B | 109.5° | 109.5° |
C5 | C2 | C1 | 121.0° | 120.0° |
C2 | C1 | C3 | 118.2° | 120.1° |
C2 | C1 | C4 | 122.9° | 120.0° |
C3 | C1 | C4 | 118.9° | 119.9° |
C1 | C3 | C7 | 122.7° | 119.7° |
C1 | C3 | H3 | 118.6° | 120.1° |
C1 | C4 | C8 | 119.6° | 120.1° |
C1 | C4 | C9 | 119.3° | 120.0° |
C3 | C7 | C13 | 116.7° | 120.1° |
C3 | C7 | C14 | 117.2° | 119.9° |
C7 | C3 | H3 | 118.7° | 120.2° |
C13 | C7 | C14 | 126.0° | 120.1° |
C7 | C13 | O17 | 118.5° | 120.0° |
C7 | C13 | N16 | 119.5° | 120.0° |
C7 | C14 | C8 | 120.7° | 120.1° |
C7 | C14 | H14 | 119.7° | 120.0° |
O17 | C13 | N16 | 121.9° | 120.0° |
C13 | N16 | HN16 | 118.0° | 120.1° |
C14 | C8 | C4 | 120.8° | 120.3° |
C8 | C14 | H14 | 119.6° | 119.9° |
C14 | C8 | H8 | 119.6° | 119.9° |
C8 | C4 | C9 | 121.1° | 119.9° |
C4 | C8 | H8 | 119.6° | 119.9° |
C4 | C9 | H9 | 109.5° | 109.5° |
C4 | C9 | H9A | 109.5° | 109.5° |
C4 | C9 | H9B | 109.5° | 109.4° |
H26 | C26 | H26A | 109.5° | 109.5° |
H26 | C26 | H26B | 109.4° | 109.5° |
H26A | C26 | H26B | 109.5° | 109.5° |
H23 | C23 | H23A | 75.4° | 115.6° |
H22 | C22 | H22A | 74.4° | 115.6° |
H11 | C11 | H11A | 109.5° | 109.4° |
H11 | C11 | H11B | 109.4° | 109.5° |
H11A | C11 | H11B | 109.5° | 109.5° |
H9 | C9 | H9A | 109.4° | 109.5° |
H9 | C9 | H9B | 109.5° | 109.4° |
H9A | C9 | H9B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | C25 | O21 | N24 | 179.5° | 179.6° |
C26 | C25 | O21 | C18 | 178.9° | 180.0° |
C26 | C25 | N24 | N20 | 178.9° | 180.0° |
C25 | C26 | H26 | H26A | 120.0° | 120.0° |
C25 | C26 | H26 | H26B | 120.0° | 119.9° |
C25 | C26 | H26A | H26B | 120.0° | 120.0° |
C22 | C23 | C19 | H23 | 120.0° | 107.4° |
C22 | C23 | C19 | H23A | 126.8° | 107.5° |
C23 | C22 | C19 | H22 | 120.0° | 107.5° |
C23 | C22 | C19 | H22A | 126.6° | 107.5° |
C22 | C23 | C19 | N16 | 101.3° | 107.5° |
C22 | C23 | H23 | H23A | 138.3° | 145.6° |
C23 | C22 | H22 | H22A | 138.7° | 145.7° |
C22 | C23 | C19 | H19 | 125.3° | 107.5° |
C23 | C19 | N16 | H19 | 149.2° | 145.7° |
C23 | C19 | N16 | C13 | 125.4° | 155.0° |
C19 | C23 | H23 | H23A | 138.3° | 145.8° |
C23 | C19 | N16 | HN16 | 54.6° | 25.0° |
C22 | C19 | N16 | H19 | 148.8° | 145.7° |
C22 | C19 | N16 | C13 | 63.4° | 136.3° |
C19 | C22 | H22 | H22A | 138.8° | 145.7° |
C22 | C19 | N16 | HN16 | 116.6° | 43.6° |
C19 | N16 | C13 | C7 | 179.9° | 180.0° |
C19 | N16 | C13 | O17 | 3.8° | 0.1° |
C19 | N16 | C13 | HN16 | 180.0° | 179.9° |
N16 | C19 | C23 | H23 | 138.7° | 145.1° |
N16 | C19 | C23 | H23A | 25.5° | 0.0° |
N16 | C19 | C22 | H22 | 23.1° | 0.0° |
N16 | C19 | C22 | H22A | 136.5° | 145.0° |
O21 | C25 | N24 | N20 | 0.6° | 0.3° |
C25 | O21 | C18 | N20 | 0.5° | 0.2° |
C25 | O21 | C18 | C15 | 179.8° | 180.0° |
O21 | C25 | C26 | H26 | 59.4° | 90.1° |
O21 | C25 | C26 | H26A | 179.4° | 149.9° |
O21 | C25 | C26 | H26B | 60.6° | 29.9° |
N24 | C25 | O21 | C18 | 0.6° | 0.3° |
C25 | N24 | N20 | C18 | 0.3° | 0.2° |
N24 | C25 | C26 | H26 | 121.2° | 90.4° |
N24 | C25 | C26 | H26A | 1.2° | 29.6° |
N24 | C25 | C26 | H26B | 118.8° | 149.6° |
O21 | C18 | N20 | N24 | 0.1° | 0.0° |
O21 | C18 | N20 | C15 | 179.7° | 179.8° |
O21 | C18 | C15 | C12 | 178.6° | 0.1° |
O21 | C18 | C15 | C10 | 1.6° | 179.7° |
N24 | N20 | C18 | C15 | 179.8° | 179.8° |
N20 | C18 | C15 | C12 | 1.0° | 179.8° |
N20 | C18 | C15 | C10 | 178.7° | 0.0° |
C18 | C15 | C12 | C10 | 179.7° | 179.8° |
C18 | C15 | C12 | C6 | 179.8° | 180.0° |
C18 | C15 | C10 | C5 | 178.2° | 180.0° |
C18 | C15 | C12 | H12 | 0.2° | 0.0° |
C18 | C15 | C10 | H10 | 1.8° | 0.1° |
C15 | C12 | C6 | H12 | 180.0° | 180.0° |
C15 | C12 | C6 | C2 | 1.3° | 0.0° |
C12 | C15 | C10 | C5 | 1.5° | 0.2° |
C15 | C12 | C6 | H6 | 178.7° | 180.0° |
C12 | C15 | C10 | H10 | 178.5° | 179.7° |
C10 | C15 | C12 | C6 | 0.5° | 0.2° |
C15 | C10 | C5 | H10 | 180.0° | 179.9° |
C15 | C10 | C5 | C11 | 178.2° | 180.0° |
C15 | C10 | C5 | C2 | 2.8° | 0.1° |
C10 | C15 | C12 | H12 | 179.5° | 179.8° |
C12 | C6 | C2 | H6 | 180.0° | 180.0° |
C12 | C6 | C2 | C5 | 0.1° | 0.3° |
C12 | C6 | C2 | C1 | 178.6° | 180.0° |
C6 | C2 | C5 | C10 | 1.9° | 0.4° |
C6 | C2 | C5 | C11 | 179.1° | 179.7° |
C6 | C2 | C5 | C1 | 178.7° | 179.7° |
C6 | C2 | C1 | C3 | 85.7° | 68.6° |
C6 | C2 | C1 | C4 | 93.6° | 111.7° |
C2 | C6 | C12 | H12 | 178.7° | 180.0° |
C10 | C5 | C11 | C2 | 179.0° | 179.9° |
C10 | C5 | C2 | C1 | 179.4° | 180.0° |
C10 | C5 | C11 | H11 | 66.8° | 85.0° |
C10 | C5 | C11 | H11A | 53.2° | 155.0° |
C10 | C5 | C11 | H11B | 173.2° | 35.0° |
C11 | C5 | C2 | C1 | 0.4° | 0.1° |
C11 | C5 | C10 | H10 | 1.8° | 0.1° |
C5 | C11 | H11 | H11A | 120.0° | 120.0° |
C5 | C11 | H11 | H11B | 120.0° | 120.0° |
C5 | C11 | H11A | H11B | 120.0° | 120.0° |
C5 | C2 | C1 | C3 | 92.9° | 111.1° |
C5 | C2 | C1 | C4 | 87.8° | 68.7° |
C5 | C2 | C6 | H6 | 180.0° | 179.7° |
C2 | C5 | C10 | H10 | 177.2° | 180.0° |
C2 | C5 | C11 | H11 | 112.1° | 94.9° |
C2 | C5 | C11 | H11A | 127.9° | 25.1° |
C2 | C5 | C11 | H11B | 7.9° | 145.1° |
C2 | C1 | C3 | C4 | 179.3° | 179.8° |
C2 | C1 | C3 | C7 | 179.6° | 180.0° |
C2 | C1 | C4 | C8 | 179.4° | 179.7° |
C2 | C1 | C4 | C9 | 0.8° | 0.0° |
C1 | C2 | C6 | H6 | 1.4° | 0.0° |
C2 | C1 | C3 | H3 | 0.4° | 0.0° |
C1 | C3 | C7 | H3 | 180.0° | 180.0° |
C1 | C3 | C7 | C13 | 180.0° | 180.0° |
C1 | C3 | C7 | C14 | 1.4° | 0.1° |
C3 | C1 | C4 | C8 | 0.1° | 0.5° |
C3 | C1 | C4 | C9 | 178.5° | 179.8° |
C4 | C1 | C3 | C7 | 1.1° | 0.2° |
C1 | C4 | C8 | C14 | 0.5° | 0.6° |
C1 | C4 | C8 | C9 | 178.5° | 179.7° |
C4 | C1 | C3 | H3 | 178.9° | 179.8° |
C1 | C4 | C8 | H8 | 179.5° | 179.7° |
C1 | C4 | C9 | H9 | 64.1° | 95.4° |
C1 | C4 | C9 | H9A | 55.9° | 144.6° |
C1 | C4 | C9 | H9B | 175.9° | 24.5° |
C3 | C7 | C13 | C14 | 178.5° | 180.0° |
C3 | C7 | C13 | O17 | 13.5° | 0.0° |
C3 | C7 | C13 | N16 | 170.1° | 179.9° |
C3 | C7 | C14 | C8 | 0.8° | 0.0° |
C3 | C7 | C14 | H14 | 179.2° | 179.9° |
C7 | C13 | O17 | N16 | 176.3° | 180.0° |
C13 | C7 | C14 | C8 | 179.2° | 180.0° |
C13 | C7 | C3 | H3 | 0.0° | 0.0° |
C7 | C13 | N16 | HN16 | 0.1° | 0.0° |
C13 | C7 | C14 | H14 | 0.8° | 0.0° |
C14 | C7 | C13 | O17 | 164.9° | 180.0° |
C14 | C7 | C13 | N16 | 11.5° | 0.0° |
C7 | C14 | C8 | H14 | 180.0° | 179.9° |
C7 | C14 | C8 | C4 | 0.1° | 0.3° |
C14 | C7 | C3 | H3 | 178.6° | 180.0° |
C7 | C14 | C8 | H8 | 179.8° | 180.0° |
O17 | C13 | N16 | HN16 | 176.2° | 180.0° |
C13 | N16 | C19 | H19 | 85.4° | 9.4° |
C14 | C8 | C4 | H8 | 180.0° | 179.7° |
C14 | C8 | C4 | C9 | 179.0° | 179.7° |
C4 | C8 | C14 | H14 | 179.9° | 179.7° |
C8 | C4 | C9 | H9 | 114.4° | 84.3° |
C8 | C4 | C9 | H9A | 125.6° | 35.7° |
C8 | C4 | C9 | H9B | 5.6° | 155.8° |
C9 | C4 | C8 | H8 | 0.9° | 0.0° |
C4 | C9 | H9 | H9A | 120.0° | 120.0° |
C4 | C9 | H9 | H9B | 120.0° | 119.9° |
C4 | C9 | H9A | H9B | 120.0° | 120.0° |
H26 | C26 | H26A | H26B | 120.0° | 120.1° |
H23 | C23 | C22 | H22 | 119.9° | 145.0° |
H23 | C23 | C22 | H22A | 6.7° | 0.1° |
H23 | C23 | C19 | H19 | 5.2° | 0.0° |
H23A | C23 | C22 | H22 | 6.7° | 0.1° |
H23A | C23 | C22 | H22A | 106.6° | 145.0° |
H23A | C23 | C19 | H19 | 107.9° | 145.1° |
H22 | C22 | C19 | H19 | 111.9° | 145.1° |
H22A | C22 | C19 | H19 | 1.5° | 0.1° |
H19 | C19 | N16 | HN16 | 94.6° | 170.7° |
H12 | C12 | C6 | H6 | 1.3° | 0.0° |
H11 | C11 | H11A | H11B | 120.0° | 120.0° |
H14 | C14 | C8 | H8 | 0.2° | 0.1° |
H9 | C9 | H9A | H9B | 120.0° | 120.0° |