7VY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C11 | N12 | sing | 1.47Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C15 | O14 | sing | 1.43Å | 1.44Å | |
| O14 | C6 | sing | 1.36Å | 1.42Å | |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| C8 | C13 | sing | 1.53Å | 1.56Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N12 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 111.8° | 109.3° |
| C10 | C11 | N12 | 113.5° | 109.5° |
| C10 | C11 | H4 | 108.4° | 109.5° |
| C10 | C11 | H5 | 108.4° | 109.5° |
| C11 | C10 | H17 | 108.9° | 109.5° |
| C11 | C10 | H18 | 108.9° | 109.5° |
| C10 | C9 | C8 | 110.2° | 109.2° |
| C10 | C9 | H15 | 109.3° | 109.5° |
| C10 | C9 | H16 | 109.3° | 109.6° |
| C9 | C10 | H17 | 108.9° | 109.5° |
| C9 | C10 | H18 | 108.9° | 109.5° |
| C11 | N12 | C13 | 115.8° | 111.2° |
| N12 | C11 | H4 | 108.4° | 109.4° |
| N12 | C11 | H5 | 108.4° | 109.5° |
| C11 | N12 | H19 | 107.9° | 111.0° |
| C9 | C8 | C13 | 108.4° | 109.3° |
| C9 | C8 | C7 | 116.7° | 109.5° |
| C9 | C8 | H14 | 105.4° | 109.5° |
| C8 | C9 | H15 | 109.3° | 109.5° |
| C8 | C9 | H16 | 109.3° | 109.5° |
| C15 | O14 | C6 | 124.2° | 117.0° |
| O14 | C15 | H8 | 109.5° | 109.5° |
| O14 | C15 | H9 | 109.5° | 109.5° |
| O14 | C15 | H10 | 109.4° | 109.4° |
| O14 | C6 | C5 | 119.6° | 120.0° |
| O14 | C6 | C1 | 122.0° | 120.1° |
| N12 | C13 | C8 | 109.7° | 109.5° |
| N12 | C13 | H6 | 109.4° | 109.4° |
| N12 | C13 | H7 | 109.4° | 109.5° |
| C13 | N12 | H19 | 107.9° | 111.0° |
| C13 | C8 | C7 | 114.7° | 109.5° |
| C8 | C13 | H6 | 109.4° | 109.5° |
| C8 | C13 | H7 | 109.4° | 109.4° |
| C13 | C8 | H14 | 105.4° | 109.5° |
| C8 | C7 | C4 | 103.2° | 109.5° |
| C8 | C7 | H12 | 111.0° | 109.5° |
| C8 | C7 | H13 | 111.0° | 109.5° |
| C7 | C8 | H14 | 105.3° | 109.5° |
| C5 | C6 | C1 | 118.4° | 119.9° |
| C6 | C5 | C4 | 121.4° | 119.9° |
| C6 | C5 | H11 | 119.3° | 120.0° |
| C6 | C1 | C2 | 121.2° | 120.0° |
| C6 | C1 | H1 | 119.4° | 120.0° |
| C5 | C4 | C7 | 119.4° | 120.0° |
| C5 | C4 | C3 | 119.0° | 120.0° |
| C4 | C5 | H11 | 119.3° | 120.0° |
| C7 | C4 | C3 | 121.0° | 120.0° |
| C4 | C7 | H12 | 111.0° | 109.4° |
| C4 | C7 | H13 | 111.0° | 109.5° |
| C1 | C2 | C3 | 119.3° | 120.0° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| C1 | C2 | H2 | 120.4° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C4 | C3 | H3 | 119.6° | 119.9° |
| C3 | C2 | H2 | 120.4° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.4° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H17 | 120.3° | 119.9° |
| C11 | C10 | C9 | H18 | 120.3° | 120.0° |
| C10 | C11 | N12 | H4 | 120.6° | 120.0° |
| C10 | C11 | N12 | H5 | 120.6° | 120.0° |
| C11 | C10 | C9 | C8 | 53.0° | 57.7° |
| C10 | C11 | N12 | C13 | 47.0° | 61.8° |
| C10 | C11 | H4 | H5 | 118.1° | 120.0° |
| C11 | C10 | C9 | H15 | 67.2° | 177.6° |
| C11 | C10 | C9 | H16 | 173.1° | 62.3° |
| C11 | C10 | H17 | H18 | 119.0° | 120.1° |
| C10 | C11 | N12 | H19 | 73.9° | 62.4° |
| C9 | C10 | C11 | N12 | 44.8° | 59.2° |
| C10 | C9 | C8 | H15 | 120.1° | 119.9° |
| C10 | C9 | C8 | H16 | 120.1° | 120.0° |
| C10 | C9 | C8 | C13 | 61.1° | 57.7° |
| C10 | C9 | C8 | C7 | 167.6° | 177.6° |
| C9 | C10 | C11 | H4 | 165.4° | 179.2° |
| C9 | C10 | C11 | H5 | 75.8° | 60.8° |
| C10 | C9 | C8 | H14 | 51.2° | 62.3° |
| C10 | C9 | H15 | H16 | 119.7° | 120.2° |
| C9 | C10 | H17 | H18 | 119.0° | 120.1° |
| C11 | N12 | C13 | H19 | 120.9° | 124.1° |
| C11 | N12 | C13 | C8 | 55.1° | 61.8° |
| N12 | C11 | H4 | H5 | 118.2° | 119.9° |
| C11 | N12 | C13 | H6 | 175.2° | 58.3° |
| C11 | N12 | C13 | H7 | 64.9° | 178.3° |
| N12 | C11 | C10 | H17 | 165.1° | 179.1° |
| N12 | C11 | C10 | H18 | 75.5° | 60.8° |
| C9 | C8 | C13 | N12 | 61.2° | 59.2° |
| C9 | C8 | C13 | C7 | 132.4° | 119.9° |
| C9 | C8 | C13 | H14 | 112.4° | 120.0° |
| C9 | C8 | C7 | H14 | 116.4° | 120.1° |
| C9 | C8 | C7 | C4 | 120.1° | 175.2° |
| C9 | C8 | C13 | H6 | 178.7° | 60.8° |
| C9 | C8 | C13 | H7 | 58.8° | 179.2° |
| C9 | C8 | C7 | H12 | 120.9° | 55.2° |
| C9 | C8 | C7 | H13 | 1.1° | 64.8° |
| C8 | C9 | H15 | H16 | 119.6° | 120.1° |
| C8 | C9 | C10 | H17 | 173.3° | 177.6° |
| C8 | C9 | C10 | H18 | 67.4° | 62.3° |
| C15 | O14 | C6 | C5 | 11.6° | 180.0° |
| C15 | O14 | C6 | C1 | 170.0° | 0.6° |
| O14 | C15 | H8 | H9 | 120.0° | 120.0° |
| O14 | C15 | H8 | H10 | 120.0° | 119.9° |
| O14 | C15 | H9 | H10 | 120.0° | 119.9° |
| O14 | C6 | C5 | C1 | 178.5° | 179.4° |
| O14 | C6 | C5 | C4 | 179.7° | 180.0° |
| O14 | C6 | C1 | C2 | 178.4° | 180.0° |
| O14 | C6 | C1 | H1 | 1.6° | 0.3° |
| C6 | O14 | C15 | H8 | 180.0° | 180.0° |
| C6 | O14 | C15 | H9 | 60.0° | 60.0° |
| C6 | O14 | C15 | H10 | 60.0° | 60.0° |
| O14 | C6 | C5 | H11 | 0.3° | 0.3° |
| N12 | C13 | C8 | H6 | 120.0° | 120.0° |
| N12 | C13 | C8 | H7 | 120.0° | 120.0° |
| N12 | C13 | C8 | C7 | 166.4° | 179.1° |
| C13 | N12 | C11 | H4 | 167.6° | 178.2° |
| C13 | N12 | C11 | H5 | 73.5° | 58.3° |
| N12 | C13 | H6 | H7 | 119.9° | 120.0° |
| N12 | C13 | C8 | H14 | 51.2° | 60.8° |
| C13 | C8 | C7 | H14 | 115.3° | 120.1° |
| C13 | C8 | C7 | C4 | 111.6° | 65.1° |
| C8 | C13 | H6 | H7 | 119.9° | 120.0° |
| C13 | C8 | C7 | H12 | 7.4° | 175.0° |
| C13 | C8 | C7 | H13 | 129.4° | 55.0° |
| C13 | C8 | C9 | H15 | 59.0° | 177.6° |
| C13 | C8 | C9 | H16 | 178.7° | 62.3° |
| C8 | C13 | N12 | H19 | 65.8° | 62.4° |
| C8 | C7 | C4 | C5 | 90.8° | 90.0° |
| C8 | C7 | C4 | H12 | 119.0° | 120.0° |
| C8 | C7 | C4 | H13 | 119.0° | 120.1° |
| C8 | C7 | C4 | C3 | 80.2° | 90.1° |
| C7 | C8 | C13 | H6 | 46.4° | 59.1° |
| C7 | C8 | C13 | H7 | 73.6° | 60.9° |
| C8 | C7 | H12 | H13 | 122.9° | 120.0° |
| C7 | C8 | C9 | H15 | 72.3° | 62.5° |
| C7 | C8 | C9 | H16 | 47.5° | 57.6° |
| C6 | C5 | C4 | H11 | 180.0° | 179.6° |
| C6 | C5 | C4 | C7 | 174.0° | 179.7° |
| C5 | C6 | C1 | C2 | 0.0° | 0.6° |
| C6 | C5 | C4 | C3 | 2.8° | 0.4° |
| C5 | C6 | C1 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 1.9° | 0.6° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.9° | 0.3° |
| C6 | C1 | C2 | H2 | 179.1° | 179.8° |
| C1 | C6 | C5 | H11 | 178.1° | 179.8° |
| C5 | C4 | C7 | C3 | 171.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.8° | 0.1° |
| C5 | C4 | C3 | H3 | 178.2° | 180.0° |
| C5 | C4 | C7 | H12 | 150.3° | 30.0° |
| C5 | C4 | C7 | H13 | 28.2° | 149.9° |
| C7 | C4 | C3 | C2 | 172.9° | 180.0° |
| C7 | C4 | C3 | H3 | 7.1° | 0.0° |
| C7 | C4 | C5 | H11 | 6.0° | 0.1° |
| C4 | C7 | H12 | H13 | 122.9° | 120.0° |
| C4 | C7 | C8 | H14 | 3.7° | 55.1° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | H11 | 177.2° | 180.0° |
| C3 | C4 | C7 | H12 | 38.7° | 150.0° |
| C3 | C4 | C7 | H13 | 160.8° | 30.0° |
| C3 | C2 | C1 | H1 | 179.1° | 180.0° |
| H1 | C1 | C2 | H2 | 0.9° | 0.1° |
| H2 | C2 | C3 | H3 | 0.0° | 0.1° |
| H4 | C11 | C10 | H17 | 74.3° | 60.9° |
| H4 | C11 | C10 | H18 | 45.0° | 59.2° |
| H4 | C11 | N12 | H19 | 46.7° | 57.7° |
| H5 | C11 | C10 | H17 | 44.6° | 59.1° |
| H5 | C11 | C10 | H18 | 163.9° | 179.2° |
| H5 | C11 | N12 | H19 | 165.6° | 177.6° |
| H6 | C13 | C8 | H14 | 68.9° | 179.2° |
| H6 | C13 | N12 | H19 | 54.3° | 177.6° |
| H7 | C13 | C8 | H14 | 171.2° | 59.2° |
| H7 | C13 | N12 | H19 | 174.2° | 57.6° |
| H8 | C15 | H9 | H10 | 120.0° | 120.1° |
| H12 | C7 | C8 | H14 | 122.7° | 64.9° |
| H13 | C7 | C8 | H14 | 115.3° | 175.1° |
| H14 | C8 | C9 | H15 | 171.4° | 57.6° |
| H14 | C8 | C9 | H16 | 68.9° | 177.7° |
| H15 | C9 | C10 | H17 | 53.2° | 62.5° |
| H15 | C9 | C10 | H18 | 172.5° | 57.6° |
| H16 | C9 | C10 | H17 | 66.6° | 57.7° |
| H16 | C9 | C10 | H18 | 52.8° | 177.8° |
