745
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | C23 | sing | 1.51Å | 1.45Å | |
| C2 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.42Å | 1.46Å | Aromatic |
| C3 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.36Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.41Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C17 | sing | 1.48Å | 1.46Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C17 | N18 | doub | 1.30Å | 1.30Å | |
| C17 | N19 | sing | 1.38Å | 1.33Å | |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| N19 | H191 | sing | 0.97Å | 1.02Å | |
| N19 | H192 | sing | 0.97Å | 1.02Å | |
| C23 | C24 | sing | 1.53Å | 1.65Å | |
| C23 | C7 | sing | 1.53Å | 1.49Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | C7 | sing | 1.53Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.38Å | 1.44Å | Aromatic |
| C25 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.1° | 121.0° |
| C2 | C1 | C23 | 128.0° | 119.5° |
| C1 | C2 | C3 | 119.4° | 119.7° |
| C1 | C2 | H2 | 120.6° | 120.2° |
| C6 | C1 | C23 | 110.6° | 119.5° |
| C1 | C6 | C5 | 118.9° | 121.0° |
| C1 | C6 | H6 | 120.9° | 119.5° |
| C1 | C23 | C24 | 101.3° | 117.5° |
| C1 | C23 | C7 | 140.6° | 117.5° |
| C1 | C23 | H23 | 91.2° | 115.5° |
| C3 | C2 | H2 | 120.0° | 120.1° |
| C2 | C3 | C4 | 119.4° | 119.3° |
| C2 | C3 | C10 | 121.7° | 121.1° |
| C4 | C3 | C10 | 118.9° | 119.7° |
| C3 | C4 | C5 | 119.4° | 119.4° |
| C3 | C4 | C13 | 118.8° | 119.5° |
| C3 | C10 | C11 | 120.6° | 120.0° |
| C3 | C10 | H10 | 120.4° | 120.0° |
| C5 | C4 | C13 | 121.7° | 121.2° |
| C4 | C5 | C6 | 120.8° | 119.7° |
| C4 | C5 | H5 | 120.4° | 120.2° |
| C4 | C13 | C12 | 121.8° | 119.5° |
| C4 | C13 | H13 | 118.4° | 120.3° |
| C6 | C5 | H5 | 118.8° | 120.2° |
| C5 | C6 | H6 | 120.1° | 119.5° |
| C11 | C10 | H10 | 119.0° | 120.0° |
| C10 | C11 | C12 | 121.0° | 120.9° |
| C10 | C11 | H11 | 119.0° | 119.6° |
| C12 | C11 | H11 | 120.0° | 119.5° |
| C11 | C12 | C13 | 118.5° | 120.6° |
| C11 | C12 | C17 | 121.3° | 119.7° |
| C13 | C12 | C17 | 120.1° | 119.7° |
| C12 | C13 | H13 | 119.8° | 120.3° |
| C12 | C17 | N18 | 119.0° | 119.9° |
| C12 | C17 | N19 | 123.1° | 120.0° |
| N18 | C17 | N19 | 117.6° | 120.0° |
| C17 | N18 | H18 | 119.9° | 120.1° |
| C17 | N19 | H191 | 107.4° | 120.0° |
| C17 | N19 | H192 | 123.1° | 120.0° |
| H191 | N19 | H192 | 107.4° | 120.0° |
| C24 | C23 | C7 | 57.4° | 60.0° |
| C24 | C23 | H23 | 156.7° | 117.5° |
| C23 | C24 | C25 | 145.6° | 117.5° |
| C23 | C24 | C7 | 56.2° | 60.0° |
| C23 | C24 | H24 | 119.4° | 117.5° |
| C7 | C23 | H23 | 121.6° | 117.5° |
| C23 | C7 | C24 | 66.4° | 60.0° |
| C23 | C7 | H71 | 131.4° | 117.5° |
| C23 | C7 | H72 | 131.4° | 117.5° |
| C25 | C24 | C7 | 96.9° | 117.5° |
| C25 | C24 | H24 | 92.1° | 115.5° |
| C24 | C25 | C26 | 129.6° | 120.0° |
| C24 | C25 | C30 | 113.5° | 120.0° |
| C7 | C24 | H24 | 164.4° | 117.5° |
| C24 | C7 | H71 | 131.4° | 117.5° |
| C24 | C7 | H72 | 131.4° | 117.5° |
| C26 | C25 | C30 | 116.9° | 120.0° |
| C25 | C26 | C27 | 118.5° | 120.0° |
| C25 | C26 | H26 | 120.9° | 120.0° |
| C25 | C30 | C29 | 122.9° | 120.0° |
| C25 | C30 | H30 | 119.8° | 120.0° |
| C27 | C26 | H26 | 120.7° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C26 | C27 | H27 | 121.0° | 120.0° |
| C28 | C27 | H27 | 118.9° | 120.0° |
| C27 | C28 | C29 | 120.4° | 120.1° |
| C27 | C28 | H28 | 120.4° | 120.0° |
| C29 | C28 | H28 | 119.3° | 120.0° |
| C28 | C29 | C30 | 118.7° | 119.9° |
| C28 | C29 | H29 | 120.7° | 120.0° |
| C30 | C29 | H29 | 120.5° | 120.0° |
| C29 | C30 | H30 | 117.3° | 120.0° |
| H71 | C7 | H72 | 75.6° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C23 | 174.2° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 4.0° | 0.1° |
| C1 | C2 | C3 | C10 | 176.1° | 180.0° |
| C2 | C1 | C6 | C5 | 10.6° | 0.0° |
| C2 | C1 | C6 | H6 | 169.4° | 180.0° |
| C2 | C1 | C23 | C24 | 94.6° | 120.0° |
| C2 | C1 | C23 | C7 | 146.0° | 171.3° |
| C2 | C1 | C23 | H23 | 65.6° | 25.6° |
| C6 | C1 | C2 | C3 | 10.4° | 0.0° |
| C6 | C1 | C2 | H2 | 169.6° | 179.9° |
| C1 | C6 | C5 | C4 | 4.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 175.5° | 180.0° |
| C6 | C1 | C23 | C24 | 91.7° | 60.0° |
| C6 | C1 | C23 | C7 | 40.3° | 8.7° |
| C6 | C1 | C23 | H23 | 108.1° | 154.4° |
| C23 | C1 | C2 | C3 | 162.7° | 180.0° |
| C23 | C1 | C2 | H2 | 17.4° | 0.1° |
| C23 | C1 | C6 | C5 | 163.6° | 180.0° |
| C23 | C1 | C6 | H6 | 16.4° | 0.0° |
| C1 | C23 | C24 | C7 | 143.9° | 107.5° |
| C1 | C23 | C24 | H23 | 121.2° | 145.0° |
| C1 | C23 | C7 | H23 | 142.1° | 145.0° |
| C1 | C23 | C24 | C25 | 172.3° | 145.0° |
| C1 | C23 | C24 | H24 | 18.5° | 0.0° |
| C1 | C23 | C7 | H71 | 169.2° | 0.0° |
| C1 | C23 | C7 | H72 | 59.7° | 145.0° |
| C2 | C3 | C4 | C10 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 1.8° | 0.1° |
| C2 | C3 | C4 | C13 | 178.7° | 179.7° |
| C2 | C3 | C10 | C11 | 176.9° | 179.9° |
| C2 | C3 | C10 | H10 | 3.1° | 0.1° |
| H2 | C2 | C3 | C4 | 175.9° | 179.9° |
| H2 | C2 | C3 | C10 | 3.9° | 0.1° |
| C3 | C4 | C5 | C13 | 179.4° | 179.8° |
| C3 | C4 | C5 | C6 | 1.6° | 0.0° |
| C3 | C4 | C5 | H5 | 178.4° | 179.9° |
| C4 | C3 | C10 | C11 | 3.2° | 0.0° |
| C4 | C3 | C10 | H10 | 176.8° | 180.0° |
| C3 | C4 | C13 | C12 | 3.0° | 0.4° |
| C3 | C4 | C13 | H13 | 177.0° | 179.8° |
| C10 | C3 | C4 | C5 | 178.0° | 180.0° |
| C10 | C3 | C4 | C13 | 1.4° | 0.2° |
| C3 | C10 | C11 | H10 | 180.0° | 180.0° |
| C3 | C10 | C11 | C12 | 0.7° | 0.0° |
| C3 | C10 | C11 | H11 | 179.3° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 175.5° | 180.0° |
| C5 | C4 | C13 | C12 | 177.6° | 179.8° |
| C5 | C4 | C13 | H13 | 2.4° | 0.0° |
| C13 | C4 | C5 | C6 | 179.0° | 179.8° |
| C13 | C4 | C5 | H5 | 1.0° | 0.3° |
| C4 | C13 | C12 | C11 | 5.5° | 0.4° |
| C4 | C13 | C12 | H13 | 180.0° | 179.8° |
| C4 | C13 | C12 | C17 | 178.3° | 179.8° |
| H5 | C5 | C6 | H6 | 4.5° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 3.6° | 0.2° |
| C10 | C11 | C12 | C17 | 179.8° | 180.0° |
| H10 | C10 | C11 | C12 | 179.3° | 180.0° |
| H10 | C10 | C11 | H11 | 0.7° | 0.0° |
| C11 | C12 | C13 | C17 | 176.2° | 179.8° |
| C11 | C12 | C13 | H13 | 174.5° | 179.7° |
| C11 | C12 | C17 | N18 | 22.5° | 180.0° |
| C11 | C12 | C17 | N19 | 150.7° | 0.1° |
| H11 | C11 | C12 | C13 | 176.4° | 179.8° |
| H11 | C11 | C12 | C17 | 0.2° | 0.0° |
| C13 | C12 | C17 | N18 | 161.4° | 0.2° |
| C13 | C12 | C17 | N19 | 25.4° | 179.7° |
| C17 | C12 | C13 | H13 | 1.7° | 0.1° |
| C12 | C17 | N18 | N19 | 173.5° | 179.9° |
| C12 | C17 | N18 | H18 | 165.7° | 0.1° |
| C12 | C17 | N19 | H191 | 54.7° | 180.0° |
| C12 | C17 | N19 | H192 | 180.0° | 0.1° |
| N18 | C17 | N19 | H191 | 118.5° | 0.1° |
| N18 | C17 | N19 | H192 | 6.7° | 179.8° |
| N19 | C17 | N18 | H18 | 7.8° | 180.0° |
| C17 | N19 | H191 | H192 | 134.2° | 179.8° |
| C24 | C23 | C7 | H23 | 152.4° | 107.5° |
| C23 | C24 | C25 | C7 | 35.4° | 68.6° |
| C23 | C24 | C25 | H24 | 157.3° | 145.7° |
| C23 | C24 | C7 | H24 | 78.2° | 107.5° |
| C23 | C24 | C25 | C26 | 160.0° | 60.2° |
| C23 | C24 | C25 | C30 | 20.9° | 120.0° |
| C24 | C23 | C7 | H71 | 125.3° | 107.5° |
| C24 | C23 | C7 | H72 | 125.2° | 107.5° |
| C23 | C7 | H71 | H72 | 133.1° | 145.7° |
| H23 | C23 | C24 | C25 | 51.1° | 0.0° |
| H23 | C23 | C24 | H24 | 102.6° | 145.0° |
| H23 | C23 | C7 | H71 | 27.1° | 145.0° |
| H23 | C23 | C7 | H72 | 82.4° | 0.0° |
| C25 | C24 | C7 | H24 | 125.0° | 145.0° |
| C24 | C25 | C26 | C30 | 179.1° | 179.7° |
| C24 | C25 | C26 | C27 | 165.5° | 179.8° |
| C24 | C25 | C26 | H26 | 14.5° | 0.2° |
| C24 | C25 | C30 | C29 | 166.0° | 180.0° |
| C24 | C25 | C30 | H30 | 14.0° | 0.1° |
| C25 | C24 | C7 | H71 | 31.5° | 145.0° |
| C25 | C24 | C7 | H72 | 78.0° | 0.0° |
| C7 | C24 | C25 | C26 | 124.6° | 8.3° |
| C7 | C24 | C25 | C30 | 56.3° | 171.4° |
| C24 | C7 | H71 | H72 | 133.1° | 145.7° |
| H24 | C24 | C25 | C26 | 42.7° | 154.0° |
| H24 | C24 | C25 | C30 | 136.4° | 25.7° |
| H24 | C24 | C7 | H71 | 156.5° | 0.0° |
| H24 | C24 | C7 | H72 | 47.0° | 145.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.5° |
| C25 | C26 | C27 | C28 | 1.7° | 0.4° |
| C25 | C26 | C27 | H27 | 178.3° | 179.8° |
| C26 | C25 | C30 | C29 | 13.2° | 0.3° |
| C26 | C25 | C30 | H30 | 166.7° | 179.8° |
| C30 | C25 | C26 | C27 | 13.5° | 0.5° |
| C30 | C25 | C26 | H26 | 166.5° | 179.9° |
| C25 | C30 | C29 | C28 | 0.3° | 0.1° |
| C25 | C30 | C29 | H30 | 180.0° | 179.9° |
| C25 | C30 | C29 | H29 | 179.7° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 11.7° | 0.2° |
| C26 | C27 | C28 | H28 | 168.3° | 179.9° |
| H26 | C26 | C27 | C28 | 178.3° | 180.0° |
| H26 | C26 | C27 | H27 | 1.7° | 0.2° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 12.4° | 0.0° |
| C27 | C28 | C29 | H29 | 167.6° | 180.0° |
| H27 | C27 | C28 | C29 | 168.3° | 180.0° |
| H27 | C27 | C28 | H28 | 11.7° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | H30 | 179.7° | 180.0° |
| H28 | C28 | C29 | C30 | 167.5° | 180.0° |
| H28 | C28 | C29 | H29 | 12.5° | 0.0° |
| H29 | C29 | C30 | H30 | 0.3° | 0.0° |
