9TV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C21 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C1 | sing | 1.48Å | 1.45Å | |
| C1 | C | sing | 1.41Å | 1.38Å | Aromatic |
| C1 | N3 | doub | 1.32Å | 1.37Å | Aromatic |
| C | C2 | doub | 1.36Å | 1.42Å | Aromatic |
| O | C6 | doub | 1.21Å | 1.22Å | |
| N3 | N | sing | 1.40Å | 1.34Å | Aromatic |
| C2 | N | sing | 1.36Å | 1.34Å | Aromatic |
| C2 | N4 | sing | 1.40Å | 1.40Å | |
| C6 | N4 | sing | 1.35Å | 1.37Å | |
| C6 | C9 | sing | 1.51Å | 1.46Å | |
| C11 | C9 | sing | 1.53Å | 1.34Å | |
| C11 | C7 | sing | 1.51Å | 1.45Å | |
| N12 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| N12 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| N13 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C23 | C22 | 114.2° | 108.4° |
| C23 | C21 | C14 | 112.6° | 110.6° |
| C23 | C21 | H10 | 108.7° | 109.0° |
| C23 | C21 | H11 | 108.7° | 109.4° |
| C21 | C23 | H20 | 108.3° | 109.7° |
| C21 | C23 | H21 | 108.3° | 109.7° |
| C23 | C22 | C20 | 113.4° | 108.3° |
| C23 | C22 | H12 | 108.5° | 109.7° |
| C23 | C22 | H13 | 108.5° | 109.7° |
| C22 | C23 | H20 | 108.3° | 109.6° |
| C22 | C23 | H21 | 108.3° | 109.7° |
| C21 | C14 | C16 | 117.0° | 117.6° |
| C21 | C14 | C10 | 123.8° | 122.5° |
| C14 | C21 | H10 | 108.7° | 109.2° |
| C14 | C21 | H11 | 108.7° | 109.3° |
| C16 | C14 | C10 | 119.2° | 119.9° |
| C14 | C16 | C15 | 120.3° | 120.7° |
| C14 | C16 | H17 | 119.9° | 119.6° |
| C14 | C10 | C20 | 122.5° | 122.6° |
| C14 | C10 | C8 | 119.9° | 119.8° |
| C16 | C15 | C5 | 121.0° | 119.6° |
| C16 | C15 | H6 | 119.5° | 120.2° |
| C15 | C16 | H17 | 119.9° | 119.7° |
| C22 | C20 | C10 | 111.4° | 110.6° |
| C22 | C20 | H8 | 109.0° | 109.3° |
| C22 | C20 | H9 | 109.0° | 109.2° |
| C20 | C22 | H12 | 108.5° | 109.7° |
| C20 | C22 | H13 | 108.5° | 109.7° |
| C20 | C10 | C8 | 117.6° | 117.6° |
| C10 | C20 | H8 | 109.0° | 109.3° |
| C10 | C20 | H9 | 109.0° | 109.2° |
| C10 | C8 | C5 | 121.0° | 120.5° |
| C10 | C8 | H16 | 119.5° | 119.7° |
| C15 | C5 | C8 | 118.7° | 119.6° |
| C15 | C5 | C1 | 120.0° | 120.2° |
| C5 | C15 | H6 | 119.5° | 120.2° |
| C8 | C5 | C1 | 121.2° | 120.2° |
| C5 | C8 | H16 | 119.5° | 119.8° |
| C5 | C1 | C | 131.4° | 125.9° |
| C5 | C1 | N3 | 124.1° | 125.9° |
| C | C1 | N3 | 104.4° | 108.2° |
| C1 | C | C2 | 106.6° | 107.8° |
| C1 | C | H14 | 126.7° | 126.1° |
| C1 | N3 | N | 114.2° | 108.3° |
| C | C2 | N | 110.3° | 107.7° |
| C | C2 | N4 | 126.8° | 126.1° |
| C2 | C | H14 | 126.7° | 126.1° |
| O | C6 | N4 | 126.8° | 120.0° |
| O | C6 | C9 | 120.5° | 120.0° |
| N3 | N | C2 | 104.6° | 108.1° |
| N3 | N | H15 | 127.7° | 126.0° |
| N | C2 | N4 | 122.8° | 126.2° |
| C2 | N | H15 | 127.7° | 126.0° |
| C2 | N4 | C6 | 122.4° | 120.0° |
| C2 | N4 | H1 | 118.8° | 120.0° |
| N4 | C6 | C9 | 112.7° | 120.0° |
| C6 | N4 | H1 | 118.8° | 120.0° |
| C6 | C9 | C11 | 112.4° | 109.5° |
| C6 | C9 | H2 | 108.7° | 109.5° |
| C6 | C9 | H3 | 108.8° | 109.4° |
| C9 | C11 | C7 | 119.6° | 109.5° |
| C11 | C9 | H2 | 108.7° | 109.5° |
| C11 | C9 | H3 | 108.7° | 109.5° |
| C9 | C11 | H4 | 106.9° | 109.5° |
| C9 | C11 | H5 | 106.9° | 109.5° |
| C11 | C7 | N12 | 115.3° | 119.1° |
| C11 | C7 | N13 | 117.6° | 119.1° |
| C7 | C11 | H4 | 106.9° | 109.5° |
| C7 | C11 | H5 | 106.9° | 109.4° |
| C7 | N12 | C19 | 115.3° | 120.9° |
| N12 | C7 | N13 | 127.1° | 121.7° |
| N12 | C19 | C17 | 123.1° | 119.1° |
| N12 | C19 | H19 | 118.4° | 120.5° |
| C7 | N13 | C18 | 114.8° | 120.8° |
| C19 | C17 | C18 | 116.0° | 118.4° |
| C19 | C17 | H18 | 122.0° | 120.8° |
| C17 | C19 | H19 | 118.4° | 120.4° |
| N13 | C18 | C17 | 123.6° | 119.1° |
| N13 | C18 | H7 | 118.2° | 120.5° |
| C17 | C18 | H7 | 118.2° | 120.4° |
| C18 | C17 | H18 | 122.0° | 120.8° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.3° |
| H10 | C21 | H11 | 109.5° | 109.3° |
| H12 | C22 | H13 | 109.5° | 109.7° |
| H20 | C23 | H21 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C23 | C22 | H20 | 120.7° | 119.7° |
| C21 | C23 | C22 | H21 | 120.7° | 119.7° |
| C23 | C21 | C14 | H10 | 120.5° | 120.0° |
| C23 | C21 | C14 | H11 | 120.5° | 120.5° |
| C23 | C21 | C14 | C16 | 170.2° | 162.8° |
| C23 | C21 | C14 | C10 | 9.6° | 17.6° |
| C21 | C23 | C22 | C20 | 55.6° | 70.0° |
| C23 | C21 | H10 | H11 | 118.6° | 119.5° |
| C21 | C23 | C22 | H12 | 176.2° | 170.4° |
| C21 | C23 | C22 | H13 | 65.0° | 49.8° |
| C21 | C23 | H20 | H21 | 117.9° | 120.5° |
| C22 | C23 | C21 | C14 | 36.1° | 51.1° |
| C23 | C22 | C20 | H12 | 120.6° | 119.7° |
| C23 | C22 | C20 | H13 | 120.6° | 119.8° |
| C23 | C22 | C20 | C10 | 44.4° | 51.2° |
| C23 | C22 | C20 | H8 | 75.9° | 69.1° |
| C23 | C22 | C20 | H9 | 164.7° | 171.4° |
| C22 | C23 | C21 | H10 | 84.3° | 69.0° |
| C22 | C23 | C21 | H11 | 156.6° | 171.5° |
| C23 | C22 | H12 | H13 | 118.2° | 120.6° |
| C22 | C23 | H20 | H21 | 117.8° | 120.6° |
| C21 | C14 | C16 | C10 | 179.9° | 179.6° |
| C21 | C14 | C16 | C15 | 179.0° | 179.8° |
| C21 | C14 | C10 | C20 | 0.8° | 0.6° |
| C21 | C14 | C10 | C8 | 179.7° | 179.7° |
| C14 | C21 | H10 | H11 | 118.6° | 119.5° |
| C21 | C14 | C16 | H17 | 1.0° | 0.5° |
| C14 | C21 | C23 | H20 | 84.6° | 170.8° |
| C14 | C21 | C23 | H21 | 156.8° | 68.6° |
| C14 | C16 | C15 | H17 | 180.0° | 179.7° |
| C16 | C14 | C10 | C20 | 179.1° | 179.8° |
| C16 | C14 | C10 | C8 | 0.4° | 0.1° |
| C14 | C16 | C15 | C5 | 0.9° | 0.0° |
| C14 | C16 | C15 | H6 | 179.1° | 180.0° |
| C16 | C14 | C21 | H10 | 69.3° | 77.2° |
| C16 | C14 | C21 | H11 | 49.8° | 42.2° |
| C10 | C14 | C16 | C15 | 1.1° | 0.1° |
| C14 | C10 | C20 | C22 | 18.2° | 17.7° |
| C14 | C10 | C20 | C8 | 179.4° | 179.7° |
| C14 | C10 | C8 | C5 | 0.6° | 0.0° |
| C14 | C10 | C20 | H8 | 102.1° | 102.6° |
| C14 | C10 | C20 | H9 | 138.5° | 138.0° |
| C10 | C14 | C21 | H10 | 110.8° | 102.4° |
| C10 | C14 | C21 | H11 | 130.1° | 138.1° |
| C14 | C10 | C8 | H16 | 179.5° | 179.9° |
| C10 | C14 | C16 | H17 | 178.9° | 179.8° |
| C16 | C15 | C5 | H6 | 180.0° | 180.0° |
| C16 | C15 | C5 | C8 | 0.0° | 0.1° |
| C16 | C15 | C5 | C1 | 176.5° | 179.9° |
| C22 | C20 | C10 | H8 | 120.3° | 120.3° |
| C22 | C20 | C10 | H9 | 120.3° | 120.2° |
| C22 | C20 | C10 | C8 | 162.4° | 162.5° |
| C22 | C20 | H8 | H9 | 119.1° | 119.4° |
| C20 | C22 | H12 | H13 | 118.2° | 120.5° |
| C20 | C22 | C23 | H20 | 65.1° | 170.3° |
| C20 | C22 | C23 | H21 | 176.3° | 49.7° |
| C20 | C10 | C8 | C5 | 180.0° | 179.7° |
| C10 | C20 | H8 | H9 | 119.1° | 119.4° |
| C10 | C20 | C22 | H12 | 165.0° | 170.9° |
| C10 | C20 | C22 | H13 | 76.2° | 68.6° |
| C20 | C10 | C8 | H16 | 0.0° | 0.3° |
| C10 | C8 | C5 | C15 | 0.7° | 0.2° |
| C10 | C8 | C5 | H16 | 180.0° | 180.0° |
| C10 | C8 | C5 | C1 | 175.8° | 179.9° |
| C8 | C10 | C20 | H8 | 77.4° | 77.2° |
| C8 | C10 | C20 | H9 | 42.1° | 42.3° |
| C15 | C5 | C8 | C1 | 176.5° | 179.7° |
| C15 | C5 | C1 | C | 5.0° | 4.9° |
| C15 | C5 | C1 | N3 | 178.9° | 175.3° |
| C15 | C5 | C8 | H16 | 179.3° | 179.8° |
| C5 | C15 | C16 | H17 | 179.1° | 179.7° |
| C8 | C5 | C1 | C | 171.5° | 174.8° |
| C8 | C5 | C1 | N3 | 4.7° | 5.0° |
| C8 | C5 | C15 | H6 | 180.0° | 179.9° |
| C5 | C1 | C | N3 | 176.7° | 179.8° |
| C5 | C1 | C | C2 | 177.4° | 180.0° |
| C5 | C1 | N3 | N | 177.3° | 179.8° |
| C1 | C5 | C15 | H6 | 3.4° | 0.1° |
| C5 | C1 | C | H14 | 2.6° | 0.1° |
| C1 | C5 | C8 | H16 | 4.2° | 0.1° |
| C1 | C | C2 | H14 | 180.0° | 179.9° |
| C | C1 | N3 | N | 0.2° | 0.4° |
| C1 | C | C2 | N | 1.0° | 0.0° |
| C1 | C | C2 | N4 | 179.5° | 179.8° |
| N3 | C1 | C | C2 | 0.7° | 0.2° |
| C1 | N3 | N | C2 | 0.4° | 0.4° |
| N3 | C1 | C | H14 | 179.3° | 179.7° |
| C1 | N3 | N | H15 | 179.6° | 179.6° |
| C | C2 | N | N3 | 0.8° | 0.3° |
| C | C2 | N | N4 | 178.6° | 179.7° |
| C | C2 | N4 | C6 | 30.3° | 0.3° |
| C | C2 | N4 | H1 | 149.7° | 179.7° |
| C | C2 | N | H15 | 179.2° | 179.7° |
| O | C6 | N4 | C2 | 28.1° | 0.0° |
| O | C6 | N4 | C9 | 179.4° | 180.0° |
| O | C6 | C9 | C11 | 52.5° | 0.1° |
| O | C6 | N4 | H1 | 151.9° | 180.0° |
| O | C6 | C9 | H2 | 173.0° | 120.0° |
| O | C6 | C9 | H3 | 67.9° | 120.0° |
| N3 | N | C2 | H15 | 180.0° | 180.0° |
| N3 | N | C2 | N4 | 179.4° | 180.0° |
| N | C2 | N4 | C6 | 151.4° | 180.0° |
| N | C2 | N4 | H1 | 28.6° | 0.0° |
| N | C2 | C | H14 | 179.0° | 179.9° |
| C2 | N4 | C6 | H1 | 180.0° | 180.0° |
| C2 | N4 | C6 | C9 | 152.5° | 180.0° |
| N4 | C2 | C | H14 | 0.5° | 0.3° |
| N4 | C2 | N | H15 | 0.6° | 0.0° |
| N4 | C6 | C9 | C11 | 127.0° | 180.0° |
| N4 | C6 | C9 | H2 | 6.5° | 60.0° |
| N4 | C6 | C9 | H3 | 112.6° | 60.0° |
| C6 | C9 | C11 | H2 | 120.4° | 120.0° |
| C6 | C9 | C11 | H3 | 120.5° | 119.9° |
| C6 | C9 | C11 | C7 | 179.7° | 180.0° |
| C9 | C6 | N4 | H1 | 27.5° | 0.0° |
| C6 | C9 | H2 | H3 | 118.7° | 120.0° |
| C6 | C9 | C11 | H4 | 58.3° | 60.0° |
| C6 | C9 | C11 | H5 | 58.8° | 60.1° |
| C9 | C11 | C7 | H4 | 121.4° | 120.1° |
| C9 | C11 | C7 | H5 | 121.4° | 120.0° |
| C9 | C11 | C7 | N12 | 136.3° | 89.7° |
| C9 | C11 | C7 | N13 | 43.8° | 90.0° |
| C11 | C9 | H2 | H3 | 118.6° | 120.0° |
| C9 | C11 | H4 | H5 | 115.4° | 120.0° |
| C11 | C7 | N12 | N13 | 179.9° | 179.7° |
| C11 | C7 | N12 | C19 | 179.7° | 179.7° |
| C11 | C7 | N13 | C18 | 179.8° | 180.0° |
| C7 | C11 | C9 | H2 | 59.8° | 60.0° |
| C7 | C11 | C9 | H3 | 59.3° | 60.1° |
| C7 | C11 | H4 | H5 | 115.4° | 119.9° |
| C7 | N12 | C19 | C17 | 0.2° | 0.1° |
| N12 | C7 | N13 | C18 | 0.3° | 0.3° |
| N12 | C7 | C11 | H4 | 14.9° | 30.4° |
| N12 | C7 | C11 | H5 | 102.3° | 150.3° |
| C7 | N12 | C19 | H19 | 179.8° | 180.0° |
| C19 | N12 | C7 | N13 | 0.4° | 0.1° |
| N12 | C19 | C17 | H19 | 180.0° | 179.9° |
| N12 | C19 | C17 | C18 | 0.0° | 0.4° |
| N12 | C19 | C17 | H18 | 180.0° | 179.7° |
| C7 | N13 | C18 | C17 | 0.0° | 0.6° |
| N13 | C7 | C11 | H4 | 165.2° | 150.0° |
| N13 | C7 | C11 | H5 | 77.7° | 30.0° |
| C7 | N13 | C18 | H7 | 180.0° | 180.0° |
| C19 | C17 | C18 | N13 | 0.1° | 0.6° |
| C19 | C17 | C18 | H18 | 180.0° | 179.9° |
| C19 | C17 | C18 | H7 | 179.9° | 180.0° |
| N13 | C18 | C17 | H7 | 180.0° | 179.4° |
| N13 | C18 | C17 | H18 | 179.9° | 179.5° |
| C18 | C17 | C19 | H19 | 180.0° | 179.8° |
| H2 | C9 | C11 | H4 | 178.7° | 180.0° |
| H2 | C9 | C11 | H5 | 61.6° | 60.0° |
| H3 | C9 | C11 | H4 | 62.2° | 60.0° |
| H3 | C9 | C11 | H5 | 179.3° | 180.0° |
| H6 | C15 | C16 | H17 | 1.0° | 0.3° |
| H7 | C18 | C17 | H18 | 0.1° | 0.0° |
| H8 | C20 | C22 | H12 | 44.7° | 50.6° |
| H8 | C20 | C22 | H13 | 163.5° | 171.1° |
| H9 | C20 | C22 | H12 | 74.7° | 68.9° |
| H9 | C20 | C22 | H13 | 44.1° | 51.6° |
| H10 | C21 | C23 | H20 | 155.0° | 50.7° |
| H10 | C21 | C23 | H21 | 36.4° | 171.3° |
| H11 | C21 | C23 | H20 | 35.9° | 68.8° |
| H11 | C21 | C23 | H21 | 82.7° | 51.8° |
| H12 | C22 | C23 | H20 | 55.5° | 50.6° |
| H12 | C22 | C23 | H21 | 63.1° | 69.9° |
| H13 | C22 | C23 | H20 | 174.3° | 69.9° |
| H13 | C22 | C23 | H21 | 55.7° | 169.5° |
| H18 | C17 | C19 | H19 | 0.0° | 0.2° |
