0VC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C8 | sing | 1.48Å | 1.46Å | |
| N11 | C10 | sing | 1.48Å | 1.47Å | |
| C8 | C39 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C39 | O7 | sing | 1.43Å | 1.43Å | |
| O7 | C2 | sing | 1.36Å | 1.36Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C6 | C12 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | O17 | sing | 1.43Å | 1.45Å | |
| O17 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C39 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| N11 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N11 | C10 | 94.2° | 90.8° |
| N11 | C8 | C39 | 111.9° | 113.8° |
| N11 | C8 | C9 | 89.0° | 86.2° |
| N11 | C8 | H17 | 114.1° | 113.9° |
| C8 | N11 | H22 | 113.2° | 111.0° |
| N11 | C10 | C9 | 88.2° | 86.2° |
| N11 | C10 | H20 | 114.5° | 113.8° |
| N11 | C10 | H21 | 114.5° | 113.8° |
| C10 | N11 | H22 | 113.1° | 111.0° |
| C39 | C8 | C9 | 113.6° | 113.8° |
| C8 | C39 | O7 | 107.4° | 109.4° |
| C8 | C39 | H15 | 110.0° | 109.5° |
| C8 | C39 | H16 | 110.0° | 109.5° |
| C39 | C8 | H17 | 113.2° | 113.0° |
| C8 | C9 | C10 | 88.6° | 86.4° |
| C9 | C8 | H17 | 112.9° | 113.7° |
| C8 | C9 | H18 | 114.4° | 113.7° |
| C8 | C9 | H19 | 114.4° | 113.7° |
| C10 | C9 | H18 | 114.4° | 113.8° |
| C10 | C9 | H19 | 114.4° | 113.9° |
| C9 | C10 | H20 | 114.5° | 113.8° |
| C9 | C10 | H21 | 114.5° | 113.8° |
| C39 | O7 | C2 | 122.2° | 117.0° |
| O7 | C39 | H15 | 110.0° | 109.5° |
| O7 | C39 | H16 | 110.0° | 109.5° |
| O7 | C2 | C1 | 123.8° | 120.5° |
| O7 | C2 | C3 | 115.3° | 120.4° |
| C1 | C2 | C3 | 120.9° | 119.1° |
| C2 | C1 | C6 | 118.1° | 118.4° |
| C2 | C1 | H14 | 120.9° | 120.8° |
| C2 | C3 | N4 | 119.2° | 120.6° |
| C2 | C3 | H13 | 120.4° | 119.7° |
| C13 | C14 | C12 | 60.1° | 60.0° |
| C14 | C13 | C12 | 59.4° | 60.0° |
| C14 | C13 | C15 | 112.2° | 117.5° |
| C14 | C13 | H8 | 119.6° | 117.6° |
| C13 | C14 | H10 | 120.0° | 117.4° |
| C13 | C14 | H11 | 120.0° | 117.5° |
| C14 | C12 | C13 | 60.5° | 60.0° |
| C14 | C12 | C6 | 118.0° | 117.5° |
| C14 | C12 | H9 | 117.9° | 117.5° |
| C12 | C14 | H10 | 120.0° | 117.4° |
| C12 | C14 | H11 | 120.0° | 117.5° |
| C1 | C6 | C12 | 126.8° | 120.4° |
| C1 | C6 | C5 | 117.3° | 119.2° |
| C6 | C1 | H14 | 121.0° | 120.8° |
| C3 | N4 | C5 | 121.9° | 121.8° |
| N4 | C3 | H13 | 120.4° | 119.7° |
| C12 | C13 | C15 | 111.6° | 117.5° |
| C13 | C12 | C6 | 111.4° | 117.5° |
| C12 | C13 | H8 | 119.7° | 117.5° |
| C13 | C12 | H9 | 117.6° | 117.5° |
| C13 | C15 | C16 | 114.9° | 109.5° |
| C13 | C15 | H6 | 108.1° | 109.5° |
| C13 | C15 | H7 | 108.1° | 109.5° |
| C15 | C13 | H8 | 119.8° | 115.6° |
| C12 | C6 | C5 | 115.9° | 120.4° |
| C6 | C12 | H9 | 118.1° | 115.5° |
| C6 | C5 | N4 | 122.7° | 120.9° |
| C6 | C5 | H12 | 118.6° | 119.6° |
| N4 | C5 | H12 | 118.7° | 119.5° |
| C15 | C16 | O17 | 111.2° | 109.5° |
| C15 | C16 | H4 | 109.0° | 109.5° |
| C15 | C16 | H5 | 109.0° | 109.5° |
| C16 | C15 | H6 | 108.1° | 109.5° |
| C16 | C15 | H7 | 108.1° | 109.4° |
| C16 | O17 | C18 | 113.3° | 114.0° |
| O17 | C16 | H4 | 109.1° | 109.5° |
| O17 | C16 | H5 | 109.1° | 109.4° |
| O17 | C18 | H1 | 109.5° | 109.4° |
| O17 | C18 | H2 | 109.5° | 109.5° |
| O17 | C18 | H3 | 109.5° | 109.4° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H1 | C18 | H3 | 109.4° | 109.5° |
| H2 | C18 | H3 | 109.4° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 115.6° |
| H15 | C39 | H16 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 112.9° |
| H20 | C10 | H21 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N11 | C10 | H22 | 117.4° | 112.9° |
| N11 | C8 | C39 | C9 | 98.9° | 96.6° |
| N11 | C8 | C39 | H17 | 130.6° | 131.8° |
| N11 | C8 | C9 | H17 | 115.9° | 114.4° |
| C8 | N11 | C10 | C9 | 0.6° | 24.7° |
| N11 | C8 | C39 | O7 | 45.0° | 88.4° |
| N11 | C8 | C39 | H15 | 74.7° | 31.6° |
| N11 | C8 | C39 | H16 | 164.7° | 151.6° |
| N11 | C8 | C9 | H18 | 116.8° | 90.7° |
| N11 | C8 | C9 | H19 | 115.7° | 138.2° |
| C8 | N11 | C10 | H20 | 116.8° | 139.0° |
| C8 | N11 | C10 | H21 | 115.6° | 89.7° |
| C10 | N11 | C8 | C39 | 114.5° | 139.0° |
| N11 | C10 | C9 | H20 | 116.2° | 114.3° |
| N11 | C10 | C9 | H21 | 116.2° | 114.4° |
| C10 | N11 | C8 | H17 | 115.4° | 89.6° |
| N11 | C10 | C9 | H18 | 116.9° | 90.7° |
| N11 | C10 | C9 | H19 | 115.7° | 138.1° |
| N11 | C10 | H20 | H21 | 130.2° | 131.7° |
| C39 | C8 | C9 | H17 | 130.6° | 131.3° |
| C39 | C8 | C9 | C10 | 113.0° | 138.0° |
| C8 | C39 | O7 | H15 | 119.7° | 120.0° |
| C8 | C39 | O7 | H16 | 119.7° | 120.0° |
| C8 | C39 | O7 | C2 | 164.4° | 180.0° |
| C8 | C39 | H15 | H16 | 120.9° | 120.0° |
| C39 | C8 | C9 | H18 | 3.3° | 23.6° |
| C39 | C8 | C9 | H19 | 130.8° | 107.4° |
| C39 | C8 | N11 | H22 | 128.1° | 108.1° |
| C8 | C9 | C10 | H18 | 116.3° | 114.4° |
| C8 | C9 | C10 | H19 | 116.3° | 114.4° |
| C9 | C8 | C39 | O7 | 53.9° | 175.0° |
| C9 | C8 | C39 | H15 | 173.6° | 65.0° |
| C9 | C8 | C39 | H16 | 65.8° | 55.0° |
| C8 | C9 | H18 | H19 | 129.9° | 131.5° |
| C8 | C9 | C10 | H20 | 116.7° | 138.0° |
| C8 | C9 | C10 | H21 | 115.6° | 90.7° |
| C9 | C8 | N11 | H22 | 116.8° | 137.5° |
| C10 | C9 | C8 | H17 | 116.5° | 90.7° |
| C10 | C9 | H18 | H19 | 129.9° | 131.7° |
| C9 | C10 | H20 | H21 | 130.1° | 131.7° |
| C9 | C10 | N11 | H22 | 116.8° | 137.6° |
| C39 | O7 | C2 | C1 | 23.8° | 180.0° |
| C39 | O7 | C2 | C3 | 158.9° | 0.5° |
| O7 | C39 | H15 | H16 | 121.0° | 120.0° |
| O7 | C39 | C8 | H17 | 175.6° | 43.4° |
| O7 | C2 | C1 | C3 | 177.1° | 179.5° |
| O7 | C2 | C1 | C6 | 177.9° | 180.0° |
| O7 | C2 | C3 | N4 | 178.9° | 179.8° |
| O7 | C2 | C3 | H13 | 1.1° | 0.3° |
| O7 | C2 | C1 | H14 | 2.1° | 0.5° |
| C2 | O7 | C39 | H15 | 44.7° | 60.0° |
| C2 | O7 | C39 | H16 | 76.0° | 60.0° |
| C2 | C1 | C6 | H14 | 180.0° | 179.5° |
| C1 | C2 | C3 | N4 | 1.5° | 0.3° |
| C2 | C1 | C6 | C12 | 178.5° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C1 | C2 | C3 | H13 | 178.5° | 179.8° |
| C3 | C2 | C1 | C6 | 0.8° | 0.5° |
| C2 | C3 | N4 | H13 | 180.0° | 179.9° |
| C2 | C3 | N4 | C5 | 1.6° | 0.0° |
| C3 | C2 | C1 | H14 | 179.2° | 179.9° |
| C13 | C14 | C12 | H10 | 109.5° | 107.4° |
| C13 | C14 | C12 | H11 | 109.5° | 107.4° |
| C14 | C13 | C12 | C15 | 103.8° | 107.5° |
| C14 | C13 | C12 | H8 | 108.9° | 107.6° |
| C14 | C13 | C15 | H8 | 148.2° | 145.8° |
| C14 | C13 | C12 | C6 | 110.9° | 107.5° |
| C14 | C13 | C15 | C16 | 153.7° | 116.4° |
| C14 | C13 | C15 | H6 | 85.5° | 3.6° |
| C14 | C13 | C15 | H7 | 32.9° | 123.6° |
| C13 | C14 | C12 | H9 | 107.7° | 107.5° |
| C13 | C14 | H10 | H11 | 144.7° | 145.7° |
| C14 | C12 | C6 | C1 | 48.4° | 171.1° |
| C14 | C12 | C6 | H9 | 152.2° | 145.6° |
| C14 | C12 | C6 | C5 | 133.2° | 8.7° |
| C12 | C14 | H10 | H11 | 144.7° | 145.8° |
| C1 | C6 | C12 | C13 | 18.6° | 120.3° |
| C1 | C6 | C12 | C5 | 178.4° | 179.8° |
| C1 | C6 | C5 | N4 | 0.2° | 0.2° |
| C1 | C6 | C12 | H9 | 159.4° | 25.5° |
| C1 | C6 | C5 | H12 | 179.8° | 179.8° |
| C3 | N4 | C5 | C6 | 0.9° | 0.0° |
| C3 | N4 | C5 | H12 | 179.0° | 180.0° |
| C12 | C13 | C15 | H8 | 147.2° | 145.6° |
| C13 | C12 | C6 | H9 | 140.8° | 145.7° |
| C13 | C12 | C6 | C5 | 159.8° | 59.9° |
| C12 | C13 | C15 | C16 | 141.8° | 175.0° |
| C12 | C13 | C15 | H6 | 21.0° | 65.0° |
| C12 | C13 | C15 | H7 | 97.4° | 55.0° |
| C15 | C13 | C12 | C6 | 145.2° | 145.0° |
| C13 | C15 | C16 | H6 | 120.8° | 120.0° |
| C13 | C15 | C16 | H7 | 120.8° | 120.0° |
| C13 | C15 | C16 | O17 | 91.1° | 180.0° |
| C13 | C15 | C16 | H4 | 148.6° | 60.0° |
| C13 | C15 | C16 | H5 | 29.2° | 60.0° |
| C13 | C15 | H6 | H7 | 117.5° | 120.1° |
| C15 | C13 | C12 | H9 | 4.2° | 0.0° |
| C15 | C13 | C14 | H10 | 147.9° | 145.1° |
| C15 | C13 | C14 | H11 | 6.9° | 0.1° |
| C12 | C6 | C5 | N4 | 178.8° | 180.0° |
| C6 | C12 | C13 | H8 | 2.1° | 0.1° |
| C6 | C12 | C14 | H10 | 9.5° | 0.1° |
| C6 | C12 | C14 | H11 | 150.5° | 145.1° |
| C12 | C6 | C5 | H12 | 1.2° | 0.0° |
| C12 | C6 | C1 | H14 | 1.5° | 0.2° |
| C6 | C5 | N4 | H12 | 180.0° | 180.0° |
| C5 | C6 | C12 | H9 | 19.0° | 154.3° |
| C5 | C6 | C1 | H14 | 179.9° | 180.0° |
| C5 | N4 | C3 | H13 | 178.4° | 179.9° |
| C15 | C16 | O17 | H4 | 120.3° | 120.1° |
| C15 | C16 | O17 | H5 | 120.2° | 120.0° |
| C15 | C16 | O17 | C18 | 155.4° | 180.0° |
| C15 | C16 | H4 | H5 | 119.2° | 120.0° |
| C16 | C15 | H6 | H7 | 117.6° | 119.9° |
| C16 | C15 | C13 | H8 | 5.5° | 29.4° |
| C16 | O17 | C18 | H1 | 180.0° | 60.0° |
| C16 | O17 | C18 | H2 | 60.0° | 180.0° |
| C16 | O17 | C18 | H3 | 60.0° | 60.0° |
| O17 | C16 | H4 | H5 | 119.2° | 119.9° |
| O17 | C16 | C15 | H6 | 29.7° | 59.9° |
| O17 | C16 | C15 | H7 | 148.1° | 60.0° |
| O17 | C18 | H1 | H2 | 120.0° | 120.0° |
| O17 | C18 | H1 | H3 | 120.0° | 120.0° |
| O17 | C18 | H2 | H3 | 120.0° | 120.0° |
| C18 | O17 | C16 | H4 | 35.1° | 60.0° |
| C18 | O17 | C16 | H5 | 84.4° | 60.0° |
| H1 | C18 | H2 | H3 | 119.9° | 120.1° |
| H4 | C16 | C15 | H6 | 90.6° | 180.0° |
| H4 | C16 | C15 | H7 | 27.9° | 60.1° |
| H5 | C16 | C15 | H6 | 150.0° | 60.0° |
| H5 | C16 | C15 | H7 | 91.6° | 180.0° |
| H6 | C15 | C13 | H8 | 126.3° | 149.4° |
| H7 | C15 | C13 | H8 | 115.3° | 90.6° |
| H8 | C13 | C12 | H9 | 143.1° | 145.0° |
| H8 | C13 | C14 | H10 | 0.4° | 0.0° |
| H8 | C13 | C14 | H11 | 141.4° | 145.0° |
| H9 | C12 | C14 | H10 | 142.8° | 145.0° |
| H9 | C12 | C14 | H11 | 1.8° | 0.1° |
| H15 | C39 | C8 | H17 | 56.0° | 163.4° |
| H16 | C39 | C8 | H17 | 64.7° | 76.6° |
| H17 | C8 | C9 | H18 | 127.3° | 154.9° |
| H17 | C8 | C9 | H19 | 0.2° | 23.8° |
| H17 | C8 | N11 | H22 | 2.0° | 23.2° |
| H18 | C9 | C10 | H20 | 126.9° | 23.7° |
| H18 | C9 | C10 | H21 | 0.7° | 154.9° |
| H19 | C9 | C10 | H20 | 0.5° | 107.6° |
| H19 | C9 | C10 | H21 | 128.1° | 23.7° |
| H20 | C10 | N11 | H22 | 0.6° | 108.1° |
| H21 | C10 | N11 | H22 | 127.0° | 23.2° |
