H92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C17 | doub | 1.22Å | 1.24Å | |
| C17 | N2 | sing | 1.35Å | 1.32Å | |
| C17 | C14 | sing | 1.48Å | 1.51Å | |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| F | C9 | sing | 1.35Å | 1.34Å | |
| C9 | N1 | doub | 1.32Å | 1.30Å | Aromatic |
| C6 | C3 | sing | 1.51Å | 1.52Å | |
| C6 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| C3 | C2 | sing | 1.56Å | 1.55Å | |
| N1 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.56Å | 1.53Å | |
| C1 | C | sing | 1.55Å | 1.53Å | |
| C1 | C2 | sing | 1.56Å | 1.53Å | |
| C | C5 | sing | 1.57Å | 1.53Å | |
| C2 | N | sing | 1.51Å | 1.48Å | |
| C5 | N | sing | 1.51Å | 1.47Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C17 | N2 | 122.5° | 120.0° |
| O | C17 | C14 | 119.7° | 120.0° |
| N2 | C17 | C14 | 117.8° | 120.0° |
| C17 | N2 | H4 | 120.0° | 120.0° |
| C17 | N2 | H5 | 120.0° | 120.0° |
| C17 | C14 | C15 | 121.7° | 120.0° |
| C17 | C14 | C13 | 119.9° | 120.0° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C15 | C14 | C13 | 118.4° | 119.9° |
| C14 | C15 | H8 | 119.7° | 120.0° |
| C15 | C16 | C11 | 121.1° | 120.0° |
| C16 | C15 | H8 | 119.7° | 120.0° |
| C15 | C16 | H9 | 119.5° | 119.9° |
| C14 | C13 | C12 | 120.7° | 120.0° |
| C14 | C13 | H6 | 119.7° | 120.0° |
| C16 | C11 | C12 | 117.9° | 120.0° |
| C16 | C11 | C8 | 121.2° | 119.9° |
| C11 | C16 | H9 | 119.4° | 120.1° |
| C13 | C12 | C11 | 121.2° | 120.1° |
| C12 | C13 | H6 | 119.6° | 120.0° |
| C13 | C12 | H7 | 119.4° | 119.9° |
| C12 | C11 | C8 | 120.9° | 120.0° |
| C11 | C12 | H7 | 119.4° | 120.0° |
| C11 | C8 | C7 | 118.7° | 120.5° |
| C11 | C8 | C9 | 125.8° | 120.6° |
| C7 | C8 | C9 | 115.5° | 118.9° |
| C8 | C7 | C6 | 121.0° | 118.3° |
| C8 | C7 | H10 | 119.5° | 120.9° |
| C8 | C9 | F | 119.1° | 119.7° |
| C8 | C9 | N1 | 126.5° | 120.5° |
| C7 | C6 | C3 | 119.0° | 120.3° |
| C7 | C6 | C10 | 116.0° | 119.4° |
| C6 | C7 | H10 | 119.5° | 120.8° |
| F | C9 | N1 | 114.3° | 119.8° |
| C9 | N1 | C10 | 115.8° | 121.8° |
| C3 | C6 | C10 | 125.0° | 120.3° |
| C6 | C3 | C4 | 115.0° | 110.6° |
| C6 | C3 | C2 | 114.7° | 110.6° |
| C6 | C3 | H12 | 108.5° | 110.6° |
| C6 | C10 | N1 | 125.1° | 121.1° |
| C6 | C10 | H11 | 117.4° | 119.5° |
| C4 | C3 | C2 | 102.2° | 103.5° |
| C3 | C4 | C5 | 101.9° | 103.5° |
| C4 | C3 | H12 | 108.0° | 110.8° |
| C3 | C4 | H13 | 111.4° | 110.7° |
| C3 | C4 | H14 | 111.3° | 110.6° |
| C3 | C2 | C1 | 109.0° | 105.7° |
| C3 | C2 | N | 101.9° | 101.1° |
| C3 | C2 | H1 | 114.0° | 115.6° |
| C2 | C3 | H12 | 108.1° | 110.6° |
| N1 | C10 | H11 | 117.4° | 119.4° |
| C4 | C5 | C | 109.2° | 105.8° |
| C4 | C5 | N | 101.2° | 101.0° |
| C5 | C4 | H13 | 111.3° | 110.6° |
| C5 | C4 | H14 | 111.4° | 110.6° |
| C4 | C5 | H15 | 113.9° | 115.6° |
| C | C1 | C2 | 101.7° | 103.5° |
| C1 | C | C5 | 103.1° | 103.4° |
| C | C1 | H2 | 111.4° | 110.6° |
| C | C1 | H3 | 111.4° | 110.6° |
| C1 | C | H16 | 111.0° | 110.6° |
| C1 | C | H17 | 111.0° | 110.6° |
| C1 | C2 | N | 100.9° | 101.0° |
| C1 | C2 | H1 | 114.2° | 115.6° |
| C2 | C1 | H2 | 111.4° | 110.6° |
| C2 | C1 | H3 | 111.4° | 110.6° |
| C | C5 | N | 102.5° | 100.4° |
| C | C5 | H15 | 113.9° | 116.1° |
| C5 | C | H16 | 111.1° | 111.0° |
| C5 | C | H17 | 111.1° | 110.4° |
| C2 | N | C5 | 96.0° | 98.2° |
| N | C2 | H1 | 115.3° | 115.9° |
| C2 | N | H18 | 112.7° | 111.0° |
| N | C5 | H15 | 114.9° | 115.8° |
| C5 | N | H18 | 112.7° | 111.0° |
| H2 | C1 | H3 | 109.5° | 110.6° |
| H4 | N2 | H5 | 120.0° | 120.0° |
| H13 | C4 | H14 | 109.5° | 110.6° |
| H16 | C | H17 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C17 | N2 | C14 | 179.7° | 179.9° |
| O | C17 | C14 | C15 | 11.8° | 179.7° |
| O | C17 | C14 | C13 | 168.5° | 0.1° |
| O | C17 | N2 | H4 | 0.0° | 0.0° |
| O | C17 | N2 | H5 | 180.0° | 179.9° |
| N2 | C17 | C14 | C15 | 168.5° | 0.4° |
| N2 | C17 | C14 | C13 | 11.3° | 180.0° |
| C17 | N2 | H4 | H5 | 180.0° | 179.9° |
| C17 | C14 | C15 | C13 | 179.8° | 179.6° |
| C17 | C14 | C15 | C16 | 179.5° | 180.0° |
| C17 | C14 | C13 | C12 | 179.9° | 180.0° |
| C14 | C17 | N2 | H4 | 179.8° | 179.9° |
| C14 | C17 | N2 | H5 | 0.3° | 0.0° |
| C17 | C14 | C13 | H6 | 0.1° | 0.1° |
| C17 | C14 | C15 | H8 | 0.6° | 0.1° |
| C14 | C15 | C16 | H8 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.2° | 0.1° |
| C15 | C14 | C13 | C12 | 0.1° | 0.4° |
| C15 | C14 | C13 | H6 | 179.9° | 179.7° |
| C14 | C15 | C16 | H9 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.4° |
| C15 | C16 | C11 | H9 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.3° | 0.2° |
| C15 | C16 | C11 | C8 | 178.8° | 180.0° |
| C14 | C13 | C12 | H6 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C14 | C13 | C12 | H7 | 179.4° | 180.0° |
| C13 | C14 | C15 | H8 | 179.7° | 179.7° |
| C16 | C11 | C12 | C13 | 0.7° | 0.2° |
| C16 | C11 | C12 | C8 | 179.1° | 179.8° |
| C16 | C11 | C8 | C7 | 125.2° | 130.0° |
| C16 | C11 | C8 | C9 | 52.0° | 50.3° |
| C16 | C11 | C12 | H7 | 179.4° | 179.7° |
| C11 | C16 | C15 | H8 | 179.8° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C8 | 178.4° | 180.0° |
| C12 | C11 | C8 | C7 | 53.8° | 50.3° |
| C12 | C11 | C8 | C9 | 129.0° | 129.5° |
| C11 | C12 | C13 | H6 | 179.4° | 179.9° |
| C12 | C11 | C16 | H9 | 179.7° | 179.7° |
| C11 | C8 | C7 | C9 | 177.5° | 179.8° |
| C11 | C8 | C7 | C6 | 176.2° | 180.0° |
| C11 | C8 | C9 | F | 2.7° | 0.0° |
| C11 | C8 | C9 | N1 | 176.6° | 180.0° |
| C8 | C11 | C12 | H7 | 1.6° | 0.0° |
| C8 | C11 | C16 | H9 | 1.2° | 0.0° |
| C11 | C8 | C7 | H10 | 3.7° | 0.0° |
| C8 | C7 | C6 | H10 | 180.0° | 179.9° |
| C7 | C8 | C9 | F | 180.0° | 179.8° |
| C7 | C8 | C9 | N1 | 0.6° | 0.3° |
| C8 | C7 | C6 | C3 | 176.0° | 180.0° |
| C8 | C7 | C6 | C10 | 1.1° | 0.1° |
| C9 | C8 | C7 | C6 | 1.2° | 0.2° |
| C8 | C9 | F | N1 | 179.4° | 180.0° |
| C8 | C9 | N1 | C10 | 0.1° | 0.0° |
| C9 | C8 | C7 | H10 | 178.8° | 179.7° |
| C7 | C6 | C3 | C10 | 176.8° | 179.9° |
| C7 | C6 | C3 | C4 | 49.0° | 42.2° |
| C7 | C6 | C3 | C2 | 167.1° | 71.9° |
| C7 | C6 | C10 | N1 | 0.3° | 0.3° |
| C7 | C6 | C10 | H11 | 179.7° | 180.0° |
| C7 | C6 | C3 | H12 | 72.0° | 165.2° |
| F | C9 | N1 | C10 | 179.3° | 180.0° |
| C9 | N1 | C10 | C6 | 0.3° | 0.3° |
| C9 | N1 | C10 | H11 | 179.8° | 180.0° |
| C6 | C3 | C4 | C2 | 124.9° | 118.4° |
| C6 | C3 | C4 | H12 | 121.3° | 122.9° |
| C6 | C3 | C2 | H12 | 121.1° | 122.8° |
| C3 | C6 | C10 | N1 | 176.6° | 179.8° |
| C6 | C3 | C4 | C5 | 130.0° | 118.5° |
| C6 | C3 | C2 | C1 | 159.3° | 169.6° |
| C6 | C3 | C2 | N | 94.6° | 85.5° |
| C6 | C3 | C2 | H1 | 30.3° | 40.5° |
| C3 | C6 | C7 | H10 | 3.9° | 0.1° |
| C3 | C6 | C10 | H11 | 3.4° | 0.0° |
| C6 | C3 | C4 | H13 | 111.3° | 123.0° |
| C6 | C3 | C4 | H14 | 11.2° | 0.0° |
| C10 | C6 | C3 | C4 | 134.1° | 137.8° |
| C10 | C6 | C3 | C2 | 16.1° | 108.2° |
| C6 | C10 | N1 | H11 | 180.0° | 179.7° |
| C10 | C6 | C7 | H10 | 178.9° | 180.0° |
| C10 | C6 | C3 | H12 | 104.8° | 14.7° |
| C4 | C3 | C2 | H12 | 113.8° | 118.7° |
| C3 | C4 | C5 | H13 | 118.8° | 118.6° |
| C3 | C4 | C5 | H14 | 118.7° | 118.5° |
| C4 | C3 | C2 | C1 | 75.6° | 71.9° |
| C3 | C4 | C5 | C | 68.4° | 71.2° |
| C4 | C3 | C2 | N | 30.5° | 33.0° |
| C3 | C4 | C5 | N | 39.3° | 33.0° |
| C4 | C3 | C2 | H1 | 155.4° | 158.9° |
| C3 | C4 | H13 | H14 | 123.5° | 123.0° |
| C3 | C4 | C5 | H15 | 163.0° | 158.9° |
| C2 | C3 | C4 | C5 | 5.1° | 0.0° |
| C3 | C2 | C1 | C | 68.0° | 71.9° |
| C3 | C2 | C1 | N | 106.8° | 104.9° |
| C3 | C2 | C1 | H1 | 128.9° | 129.1° |
| C3 | C2 | N | H1 | 124.1° | 125.7° |
| C3 | C2 | N | C5 | 54.8° | 53.9° |
| C3 | C2 | C1 | H2 | 50.7° | 169.5° |
| C3 | C2 | C1 | H3 | 173.2° | 46.6° |
| C2 | C3 | C4 | H13 | 123.8° | 118.6° |
| C2 | C3 | C4 | H14 | 113.7° | 118.5° |
| C3 | C2 | N | H18 | 62.9° | 62.4° |
| C4 | C5 | C | C1 | 76.5° | 71.1° |
| C4 | C5 | C | N | 106.7° | 104.7° |
| C4 | C5 | C | H15 | 128.6° | 129.6° |
| C4 | C5 | N | C2 | 58.6° | 53.9° |
| C4 | C5 | N | H15 | 123.1° | 125.7° |
| C5 | C4 | C3 | H12 | 108.7° | 118.6° |
| C5 | C4 | H13 | H14 | 123.6° | 122.9° |
| C4 | C5 | C | H16 | 164.6° | 170.3° |
| C4 | C5 | C | H17 | 42.5° | 47.2° |
| C4 | C5 | N | H18 | 59.1° | 62.3° |
| C | C1 | C2 | H2 | 118.7° | 118.5° |
| C | C1 | C2 | H3 | 118.7° | 118.6° |
| C1 | C | C5 | H16 | 119.0° | 118.6° |
| C1 | C | C5 | H17 | 119.0° | 118.3° |
| C | C1 | C2 | N | 38.8° | 33.0° |
| C1 | C | C5 | N | 30.2° | 33.6° |
| C | C1 | C2 | H1 | 163.1° | 159.0° |
| C | C1 | H2 | H3 | 123.6° | 123.0° |
| C1 | C | C5 | H15 | 154.9° | 159.3° |
| C1 | C | H16 | H17 | 122.9° | 122.9° |
| C2 | C1 | C | C5 | 5.2° | 0.4° |
| C1 | C2 | N | H1 | 123.6° | 125.7° |
| C1 | C2 | N | C5 | 57.5° | 54.7° |
| C2 | C1 | H2 | H3 | 123.6° | 122.9° |
| C1 | C2 | C3 | H12 | 38.2° | 46.8° |
| C2 | C1 | C | H16 | 124.2° | 118.5° |
| C2 | C1 | C | H17 | 113.8° | 118.6° |
| C1 | C2 | N | H18 | 175.2° | 170.9° |
| C | C5 | N | C2 | 54.2° | 54.6° |
| C | C5 | N | H15 | 124.1° | 125.8° |
| C5 | C | C1 | H2 | 123.9° | 118.9° |
| C5 | C | C1 | H3 | 113.5° | 118.1° |
| C | C5 | C4 | H13 | 50.4° | 47.4° |
| C | C5 | C4 | H14 | 172.9° | 170.3° |
| C5 | C | H16 | H17 | 123.0° | 122.9° |
| C | C5 | N | H18 | 171.9° | 170.8° |
| C2 | N | C5 | H18 | 117.7° | 116.2° |
| N | C2 | C1 | H2 | 157.5° | 85.5° |
| N | C2 | C1 | H3 | 80.0° | 151.6° |
| N | C2 | C3 | H12 | 144.3° | 151.7° |
| C2 | N | C5 | H15 | 178.3° | 179.6° |
| C5 | N | C2 | H1 | 178.9° | 179.6° |
| N | C5 | C4 | H13 | 158.1° | 151.6° |
| N | C5 | C4 | H14 | 79.5° | 85.5° |
| N | C5 | C | H16 | 88.8° | 85.0° |
| N | C5 | C | H17 | 149.2° | 151.9° |
| H1 | C2 | C1 | H2 | 78.2° | 40.4° |
| H1 | C2 | C1 | H3 | 44.4° | 82.5° |
| H1 | C2 | C3 | H12 | 90.8° | 82.4° |
| H1 | C2 | N | H18 | 61.2° | 63.4° |
| H2 | C1 | C | H16 | 117.1° | 0.0° |
| H2 | C1 | C | H17 | 5.0° | 122.9° |
| H3 | C1 | C | H16 | 5.4° | 122.9° |
| H3 | C1 | C | H17 | 127.5° | 0.0° |
| H6 | C13 | C12 | H7 | 0.6° | 0.1° |
| H8 | C15 | C16 | H9 | 0.2° | 0.1° |
| H12 | C3 | C4 | H13 | 10.0° | 0.1° |
| H12 | C3 | C4 | H14 | 132.5° | 122.9° |
| H13 | C4 | C5 | H15 | 78.2° | 82.6° |
| H14 | C4 | C5 | H15 | 44.3° | 40.3° |
| H15 | C5 | C | H16 | 36.0° | 40.6° |
| H15 | C5 | C | H17 | 86.1° | 82.4° |
| H15 | C5 | N | H18 | 64.0° | 63.4° |
