Obsolete: 75F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C17 | C | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.52Å | 1.51Å | |
| C18 | C16 | sing | 1.53Å | 1.50Å | |
| C13 | C6 | sing | 1.53Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| C | C1 | sing | 1.52Å | 1.48Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.52Å | 1.50Å | |
| C15 | C2 | sing | 1.51Å | 1.48Å | |
| C16 | C19 | sing | 1.53Å | 1.51Å | |
| C2 | N | doub | 1.29Å | 1.28Å | |
| C6 | C4 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C4 | C3 | doub | 1.39Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| N | C3 | sing | 1.36Å | 1.38Å | |
| C3 | N2 | sing | 1.35Å | 1.31Å | Aromatic |
| C5 | N1 | doub | 1.31Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C10 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C6 | 113.4° | 109.5° |
| C13 | C14 | H1 | 109.5° | 109.5° |
| C13 | C14 | H2 | 109.5° | 109.5° |
| C13 | C14 | H3 | 109.5° | 109.5° |
| C14 | C13 | H16 | 108.5° | 109.5° |
| C14 | C13 | H17 | 108.5° | 109.4° |
| C | C17 | C16 | 114.4° | 110.8° |
| C17 | C | O | 120.2° | 121.5° |
| C17 | C | C1 | 118.0° | 117.1° |
| C | C17 | H6 | 108.2° | 109.2° |
| C | C17 | H7 | 108.2° | 109.2° |
| C17 | C16 | C18 | 108.1° | 108.8° |
| C17 | C16 | C15 | 113.4° | 112.3° |
| C17 | C16 | C19 | 110.3° | 108.9° |
| C16 | C17 | H6 | 108.2° | 109.2° |
| C16 | C17 | H7 | 108.2° | 109.2° |
| C18 | C16 | C15 | 105.9° | 108.9° |
| C18 | C16 | C19 | 108.8° | 108.9° |
| C16 | C18 | H8 | 109.5° | 109.5° |
| C16 | C18 | H9 | 109.5° | 109.5° |
| C16 | C18 | H10 | 109.5° | 109.5° |
| C13 | C6 | C1 | 109.2° | 109.8° |
| C13 | C6 | C4 | 110.1° | 109.8° |
| C13 | C6 | C7 | 111.6° | 109.8° |
| C6 | C13 | H16 | 108.5° | 109.5° |
| C6 | C13 | H17 | 108.5° | 109.5° |
| O | C | C1 | 121.7° | 121.5° |
| C | C1 | C2 | 111.1° | 105.8° |
| C | C1 | C6 | 113.6° | 108.5° |
| C | C1 | H15 | 105.4° | 110.2° |
| C2 | C1 | C6 | 116.0° | 111.2° |
| C1 | C2 | C15 | 121.8° | 117.3° |
| C1 | C2 | N | 119.5° | 123.0° |
| C2 | C1 | H15 | 104.9° | 110.2° |
| C1 | C6 | C4 | 109.9° | 107.8° |
| C1 | C6 | C7 | 112.2° | 109.8° |
| C6 | C1 | H15 | 104.6° | 110.8° |
| C16 | C15 | C2 | 110.5° | 110.9° |
| C15 | C16 | C19 | 110.1° | 108.9° |
| C16 | C15 | H4 | 109.2° | 109.2° |
| C16 | C15 | H5 | 109.2° | 109.2° |
| C15 | C2 | N | 118.7° | 119.6° |
| C2 | C15 | H4 | 109.2° | 109.2° |
| C2 | C15 | H5 | 109.2° | 109.3° |
| C16 | C19 | H11 | 109.5° | 109.5° |
| C16 | C19 | H12 | 109.5° | 109.5° |
| C16 | C19 | H13 | 109.5° | 109.5° |
| C2 | N | C3 | 124.9° | 119.7° |
| C4 | C6 | C7 | 103.7° | 109.8° |
| C6 | C4 | C3 | 124.1° | 121.4° |
| C6 | C4 | C5 | 126.7° | 130.7° |
| C6 | C7 | C8 | 122.3° | 120.0° |
| C6 | C7 | C12 | 118.8° | 120.0° |
| C3 | C4 | C5 | 109.2° | 108.0° |
| C4 | C3 | N | 119.9° | 121.5° |
| C4 | C3 | N2 | 111.6° | 107.1° |
| C4 | C5 | N1 | 104.2° | 108.4° |
| C4 | C5 | H18 | 127.9° | 125.8° |
| N | C3 | N2 | 128.5° | 131.3° |
| C3 | N2 | N1 | 103.8° | 107.7° |
| C3 | N2 | H14 | 128.1° | 126.2° |
| C5 | N1 | N2 | 111.2° | 108.9° |
| N1 | C5 | H18 | 127.9° | 125.8° |
| C8 | C7 | C12 | 118.9° | 120.0° |
| C7 | C8 | C9 | 121.2° | 120.0° |
| C7 | C8 | H19 | 119.4° | 120.0° |
| C7 | C12 | C11 | 120.1° | 120.0° |
| C7 | C12 | H23 | 119.9° | 120.0° |
| C8 | C9 | C10 | 119.4° | 120.0° |
| C9 | C8 | H19 | 119.4° | 120.0° |
| C8 | C9 | H20 | 120.3° | 120.0° |
| N1 | N2 | H14 | 128.1° | 126.2° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | H22 | 119.7° | 120.0° |
| C11 | C12 | H23 | 119.9° | 120.0° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C10 | C9 | H20 | 120.3° | 120.0° |
| C9 | C10 | H21 | 120.1° | 120.0° |
| C11 | C10 | H21 | 120.1° | 120.0° |
| C10 | C11 | H22 | 119.8° | 120.0° |
| H1 | C14 | H2 | 109.4° | 109.5° |
| H1 | C14 | H3 | 109.5° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.1° |
| H6 | C17 | H7 | 109.5° | 109.1° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H10 | 109.4° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.4° |
| H11 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C6 | H16 | 120.6° | 120.1° |
| C14 | C13 | C6 | H17 | 120.6° | 120.0° |
| C14 | C13 | C6 | C1 | 46.2° | 60.5° |
| C14 | C13 | C6 | C4 | 74.6° | 57.9° |
| C14 | C13 | C6 | C7 | 170.8° | 178.6° |
| C13 | C14 | H1 | H2 | 120.0° | 120.1° |
| C13 | C14 | H1 | H3 | 120.0° | 120.0° |
| C13 | C14 | H2 | H3 | 120.0° | 120.0° |
| C14 | C13 | H16 | H17 | 118.2° | 120.0° |
| C | C17 | C16 | H6 | 120.7° | 120.4° |
| C | C17 | C16 | H7 | 120.7° | 120.4° |
| C | C17 | C16 | C18 | 167.0° | 93.5° |
| C17 | C | O | C1 | 176.5° | 179.9° |
| C17 | C | C1 | C2 | 35.1° | 31.5° |
| C17 | C | C1 | C6 | 168.0° | 87.8° |
| C | C17 | C16 | C15 | 49.9° | 27.2° |
| C | C17 | C16 | C19 | 74.1° | 147.9° |
| C | C17 | H6 | H7 | 117.7° | 119.3° |
| C17 | C | C1 | H15 | 78.0° | 150.6° |
| C17 | C16 | C18 | C15 | 121.9° | 122.8° |
| C17 | C16 | C18 | C19 | 119.9° | 118.6° |
| C16 | C17 | C | O | 139.3° | 117.3° |
| C16 | C17 | C | C1 | 44.0° | 62.6° |
| C17 | C16 | C15 | C19 | 124.1° | 120.8° |
| C17 | C16 | C15 | C2 | 48.0° | 28.2° |
| C17 | C16 | C15 | H4 | 168.2° | 148.6° |
| C17 | C16 | C15 | H5 | 72.1° | 92.2° |
| C16 | C17 | H6 | H7 | 117.8° | 119.3° |
| C17 | C16 | C18 | H8 | 180.0° | 177.2° |
| C17 | C16 | C18 | H9 | 60.0° | 57.2° |
| C17 | C16 | C18 | H10 | 60.0° | 62.7° |
| C17 | C16 | C19 | H11 | 180.0° | 62.8° |
| C17 | C16 | C19 | H12 | 60.0° | 57.1° |
| C17 | C16 | C19 | H13 | 60.0° | 177.1° |
| C18 | C16 | C15 | C19 | 117.5° | 118.6° |
| C18 | C16 | C15 | C2 | 166.4° | 148.9° |
| C18 | C16 | C15 | H4 | 73.4° | 90.8° |
| C18 | C16 | C15 | H5 | 46.3° | 28.4° |
| C18 | C16 | C17 | H6 | 72.2° | 26.9° |
| C18 | C16 | C17 | H7 | 46.3° | 146.1° |
| C16 | C18 | H8 | H9 | 120.0° | 120.0° |
| C16 | C18 | H8 | H10 | 120.0° | 120.1° |
| C16 | C18 | H9 | H10 | 120.0° | 120.0° |
| C18 | C16 | C19 | H11 | 61.5° | 178.6° |
| C18 | C16 | C19 | H12 | 178.4° | 61.4° |
| C18 | C16 | C19 | H13 | 58.5° | 58.6° |
| C13 | C6 | C1 | C | 83.4° | 81.8° |
| C13 | C6 | C1 | C2 | 146.0° | 162.3° |
| C13 | C6 | C1 | C4 | 120.8° | 119.6° |
| C13 | C6 | C1 | C7 | 124.3° | 120.9° |
| C13 | C6 | C4 | C7 | 119.5° | 120.8° |
| C13 | C6 | C4 | C3 | 139.9° | 149.0° |
| C13 | C6 | C4 | C5 | 40.5° | 31.1° |
| C13 | C6 | C7 | C8 | 23.9° | 136.1° |
| C13 | C6 | C7 | C12 | 157.8° | 43.7° |
| C6 | C13 | C14 | H1 | 180.0° | 66.1° |
| C6 | C13 | C14 | H2 | 60.0° | 173.9° |
| C6 | C13 | C14 | H3 | 60.0° | 53.8° |
| C13 | C6 | C1 | H15 | 31.0° | 39.4° |
| C6 | C13 | H16 | H17 | 118.2° | 120.0° |
| O | C | C1 | C2 | 148.3° | 148.4° |
| O | C | C1 | C6 | 15.3° | 92.2° |
| O | C | C17 | H6 | 18.6° | 3.1° |
| O | C | C17 | H7 | 100.0° | 122.3° |
| O | C | C1 | H15 | 98.6° | 29.3° |
| C | C1 | C2 | C6 | 131.8° | 117.6° |
| C | C1 | C2 | H15 | 113.4° | 119.2° |
| C | C1 | C6 | H15 | 114.4° | 121.1° |
| C | C1 | C2 | C15 | 36.6° | 29.9° |
| C | C1 | C2 | N | 146.2° | 152.4° |
| C | C1 | C6 | C4 | 155.8° | 158.7° |
| C | C1 | C6 | C7 | 40.9° | 39.1° |
| C1 | C | C17 | H6 | 164.8° | 177.0° |
| C1 | C | C17 | H7 | 76.7° | 57.7° |
| C2 | C1 | C6 | H15 | 115.0° | 122.9° |
| C1 | C2 | C15 | C16 | 43.6° | 62.3° |
| C1 | C2 | C15 | N | 177.2° | 177.8° |
| C2 | C1 | C6 | C4 | 25.2° | 42.7° |
| C2 | C1 | C6 | C7 | 89.7° | 76.9° |
| C1 | C2 | N | C3 | 6.5° | 4.7° |
| C1 | C2 | C15 | H4 | 163.8° | 177.3° |
| C1 | C2 | C15 | H5 | 76.6° | 58.1° |
| C6 | C1 | C2 | C15 | 168.3° | 147.4° |
| C6 | C1 | C2 | N | 14.5° | 34.8° |
| C1 | C6 | C4 | C7 | 120.2° | 119.6° |
| C1 | C6 | C4 | C3 | 19.6° | 29.4° |
| C1 | C6 | C4 | C5 | 160.8° | 150.7° |
| C1 | C6 | C7 | C8 | 146.9° | 103.0° |
| C1 | C6 | C7 | C12 | 34.8° | 77.1° |
| C1 | C6 | C13 | H16 | 166.8° | 179.5° |
| C1 | C6 | C13 | H17 | 74.4° | 59.5° |
| C16 | C15 | C2 | H4 | 120.2° | 120.3° |
| C16 | C15 | C2 | H5 | 120.2° | 120.4° |
| C16 | C15 | C2 | N | 139.2° | 119.8° |
| C16 | C15 | H4 | H5 | 119.5° | 119.3° |
| C15 | C16 | C17 | H6 | 170.7° | 147.5° |
| C15 | C16 | C17 | H7 | 70.8° | 93.2° |
| C15 | C16 | C18 | H8 | 58.1° | 60.0° |
| C15 | C16 | C18 | H9 | 178.1° | 180.0° |
| C15 | C16 | C18 | H10 | 61.9° | 60.1° |
| C15 | C16 | C19 | H11 | 54.1° | 60.0° |
| C15 | C16 | C19 | H12 | 65.9° | 180.0° |
| C15 | C16 | C19 | H13 | 174.1° | 60.0° |
| C2 | C15 | C16 | C19 | 76.1° | 92.5° |
| C15 | C2 | N | C3 | 170.8° | 177.5° |
| C2 | C15 | H4 | H5 | 119.5° | 119.3° |
| C15 | C2 | C1 | H15 | 76.8° | 89.3° |
| C19 | C16 | C15 | H4 | 44.1° | 27.8° |
| C19 | C16 | C15 | H5 | 163.7° | 147.0° |
| C19 | C16 | C17 | H6 | 46.7° | 91.7° |
| C19 | C16 | C17 | H7 | 165.2° | 27.6° |
| C19 | C16 | C18 | H8 | 60.1° | 58.6° |
| C19 | C16 | C18 | H9 | 59.9° | 61.4° |
| C19 | C16 | C18 | H10 | 179.9° | 178.7° |
| C16 | C19 | H11 | H12 | 120.0° | 120.0° |
| C16 | C19 | H11 | H13 | 120.0° | 120.1° |
| C16 | C19 | H12 | H13 | 120.0° | 120.0° |
| C2 | N | C3 | C4 | 14.4° | 13.8° |
| C2 | N | C3 | N2 | 164.5° | 165.7° |
| N | C2 | C15 | H4 | 19.0° | 0.5° |
| N | C2 | C15 | H5 | 100.7° | 119.8° |
| N | C2 | C1 | H15 | 100.4° | 88.5° |
| C6 | C4 | C3 | C5 | 179.7° | 179.9° |
| C6 | C4 | C3 | N | 0.8° | 0.7° |
| C6 | C4 | C3 | N2 | 179.8° | 179.7° |
| C6 | C4 | C5 | N1 | 180.0° | 179.8° |
| C4 | C6 | C7 | C8 | 94.5° | 15.3° |
| C4 | C6 | C7 | C12 | 83.8° | 164.5° |
| C4 | C6 | C1 | H15 | 89.8° | 80.2° |
| C4 | C6 | C13 | H16 | 46.0° | 62.2° |
| C4 | C6 | C13 | H17 | 164.8° | 177.8° |
| C6 | C4 | C5 | H18 | 0.0° | 0.3° |
| C7 | C6 | C4 | C3 | 100.6° | 90.2° |
| C7 | C6 | C4 | C5 | 79.1° | 89.7° |
| C6 | C7 | C8 | C12 | 178.3° | 179.8° |
| C6 | C7 | C8 | C9 | 179.5° | 180.0° |
| C6 | C7 | C12 | C11 | 179.5° | 179.8° |
| C7 | C6 | C1 | H15 | 155.3° | 160.2° |
| C7 | C6 | C13 | H16 | 68.6° | 58.6° |
| C7 | C6 | C13 | H17 | 50.2° | 61.4° |
| C6 | C7 | C8 | H19 | 0.5° | 0.1° |
| C6 | C7 | C12 | H23 | 0.5° | 0.1° |
| C4 | C3 | N | N2 | 178.9° | 179.5° |
| C3 | C4 | C5 | N1 | 0.3° | 0.1° |
| C4 | C3 | N2 | N1 | 0.4° | 0.3° |
| C4 | C3 | N2 | H14 | 179.6° | 179.8° |
| C3 | C4 | C5 | H18 | 179.7° | 179.8° |
| C5 | C4 | C3 | N | 179.5° | 179.4° |
| C5 | C4 | C3 | N2 | 0.5° | 0.2° |
| C4 | C5 | N1 | H18 | 180.0° | 179.9° |
| C4 | C5 | N1 | N2 | 0.0° | 0.0° |
| N | C3 | N2 | N1 | 179.4° | 179.3° |
| N | C3 | N2 | H14 | 0.6° | 0.7° |
| C3 | N2 | N1 | C5 | 0.3° | 0.2° |
| C3 | N2 | N1 | H14 | 180.0° | 180.0° |
| C5 | N1 | N2 | H14 | 179.8° | 179.8° |
| C7 | C8 | C9 | H19 | 180.0° | 180.0° |
| C8 | C7 | C12 | C11 | 1.1° | 0.4° |
| C7 | C8 | C9 | C10 | 0.8° | 0.0° |
| C7 | C8 | C9 | H20 | 179.2° | 180.0° |
| C8 | C7 | C12 | H23 | 178.9° | 179.7° |
| C12 | C7 | C8 | C9 | 1.2° | 0.2° |
| C7 | C12 | C11 | H23 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 0.6° | 0.4° |
| C12 | C7 | C8 | H19 | 178.8° | 179.8° |
| C7 | C12 | C11 | H22 | 179.4° | 179.7° |
| C8 | C9 | C10 | H20 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | H21 | 179.8° | 180.0° |
| N2 | N1 | C5 | H18 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.2° |
| C12 | C11 | C10 | H22 | 180.0° | 179.9° |
| C12 | C11 | C10 | H21 | 179.9° | 179.8° |
| C9 | C10 | C11 | H21 | 180.0° | 180.0° |
| C10 | C9 | C8 | H19 | 179.2° | 179.9° |
| C9 | C10 | C11 | H22 | 179.9° | 179.9° |
| C11 | C10 | C9 | H20 | 179.8° | 180.0° |
| C10 | C11 | C12 | H23 | 179.4° | 179.7° |
| H1 | C14 | H2 | H3 | 120.0° | 120.0° |
| H1 | C14 | C13 | H16 | 59.4° | 173.8° |
| H1 | C14 | C13 | H17 | 59.4° | 53.8° |
| H2 | C14 | C13 | H16 | 60.5° | 53.8° |
| H2 | C14 | C13 | H17 | 179.4° | 66.2° |
| H3 | C14 | C13 | H16 | 179.4° | 66.2° |
| H3 | C14 | C13 | H17 | 60.6° | 173.8° |
| H8 | C18 | H9 | H10 | 119.9° | 120.0° |
| H11 | C19 | H12 | H13 | 120.0° | 120.0° |
| H19 | C8 | C9 | H20 | 0.8° | 0.0° |
| H20 | C9 | C10 | H21 | 0.2° | 0.1° |
| H21 | C10 | C11 | H22 | 0.1° | 0.0° |
| H22 | C11 | C12 | H23 | 0.6° | 0.1° |
