C73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S01 | C05 | sing | 1.76Å | 1.67Å | Aromatic |
| S01 | C02 | sing | 1.71Å | 1.71Å | Aromatic |
| C02 | N06 | sing | 1.39Å | 1.39Å | |
| C02 | C03 | doub | 1.37Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.41Å | Aromatic |
| C03 | C10 | sing | 1.47Å | 1.45Å | |
| C05 | C04 | doub | 1.34Å | 1.40Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C19 | C05 | sing | 1.48Å | 1.45Å | Aromatic |
| C07 | N06 | sing | 1.35Å | 1.34Å | |
| N06 | HN06 | sing | 0.97Å | 1.00Å | |
| O09 | C07 | doub | 1.22Å | 1.25Å | |
| C07 | N08 | sing | 1.35Å | 1.37Å | |
| N08 | HN08 | sing | 0.97Å | 1.00Å | |
| N08 | HN0A | sing | 0.97Å | 1.00Å | |
| C10 | O11 | doub | 1.22Å | 1.20Å | |
| C10 | N12 | sing | 1.35Å | 1.37Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | N15 | sing | 1.47Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| N15 | HN15 | sing | 1.01Å | 1.00Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| CL25 | C22 | sing | 1.74Å | 1.74Å | |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | S01 | C02 | 93.1° | 91.9° |
| S01 | C05 | C04 | 110.6° | 110.2° |
| S01 | C05 | C19 | 120.9° | 124.9° |
| S01 | C02 | N06 | 123.2° | 124.7° |
| S01 | C02 | C03 | 111.9° | 110.4° |
| N06 | C02 | C03 | 124.9° | 124.8° |
| C02 | N06 | C07 | 125.1° | 120.0° |
| C02 | N06 | HN06 | 117.5° | 119.9° |
| C02 | C03 | C04 | 111.5° | 113.7° |
| C02 | C03 | C10 | 119.6° | 123.1° |
| C04 | C03 | C10 | 128.9° | 123.2° |
| C03 | C04 | C05 | 112.8° | 113.8° |
| C03 | C04 | H04 | 123.6° | 123.1° |
| C03 | C10 | O11 | 119.3° | 120.0° |
| C03 | C10 | N12 | 115.9° | 120.0° |
| C05 | C04 | H04 | 123.6° | 123.1° |
| C04 | C05 | C19 | 128.4° | 124.9° |
| C05 | C19 | C20 | 120.7° | 120.2° |
| C05 | C19 | C24 | 120.2° | 120.1° |
| C07 | N06 | HN06 | 117.4° | 120.0° |
| N06 | C07 | O09 | 125.4° | 120.0° |
| N06 | C07 | N08 | 112.9° | 120.0° |
| O09 | C07 | N08 | 121.7° | 120.0° |
| C07 | N08 | HN08 | 120.0° | 120.0° |
| C07 | N08 | HN0A | 120.0° | 120.0° |
| HN08 | N08 | HN0A | 120.0° | 120.0° |
| O11 | C10 | N12 | 124.7° | 120.0° |
| C10 | N12 | C13 | 120.2° | 120.0° |
| C10 | N12 | HN12 | 119.9° | 120.0° |
| C13 | N12 | HN12 | 119.9° | 120.0° |
| N12 | C13 | C18 | 111.7° | 109.5° |
| N12 | C13 | C14 | 102.0° | 109.5° |
| N12 | C13 | H13 | 111.8° | 109.5° |
| C18 | C13 | C14 | 105.9° | 109.3° |
| C18 | C13 | H13 | 108.2° | 109.5° |
| C13 | C18 | C17 | 111.7° | 109.1° |
| C13 | C18 | H18 | 108.8° | 109.5° |
| C13 | C18 | H18A | 108.7° | 109.6° |
| C14 | C13 | H13 | 117.1° | 109.5° |
| C13 | C14 | N15 | 113.6° | 109.5° |
| C13 | C14 | H14 | 108.1° | 109.4° |
| C13 | C14 | H14A | 108.1° | 109.5° |
| N15 | C14 | H14 | 108.1° | 109.4° |
| N15 | C14 | H14A | 108.1° | 109.5° |
| C14 | N15 | C16 | 111.3° | 111.2° |
| C14 | N15 | HN15 | 108.8° | 111.0° |
| H14 | C14 | H14A | 110.8° | 109.5° |
| C16 | N15 | HN15 | 108.9° | 111.0° |
| N15 | C16 | C17 | 111.8° | 109.5° |
| N15 | C16 | H16 | 108.7° | 109.5° |
| N15 | C16 | H16A | 108.7° | 109.5° |
| C17 | C16 | H16 | 108.7° | 109.5° |
| C17 | C16 | H16A | 108.7° | 109.5° |
| C16 | C17 | C18 | 111.9° | 109.3° |
| C16 | C17 | H17 | 108.7° | 109.5° |
| C16 | C17 | H17A | 108.6° | 109.5° |
| H16 | C16 | H16A | 110.2° | 109.4° |
| C18 | C17 | H17 | 108.7° | 109.5° |
| C18 | C17 | H17A | 108.7° | 109.5° |
| C17 | C18 | H18 | 108.7° | 109.5° |
| C17 | C18 | H18A | 108.8° | 109.5° |
| H17 | C17 | H17A | 110.3° | 109.5° |
| H18 | C18 | H18A | 110.2° | 109.6° |
| C20 | C19 | C24 | 118.9° | 119.7° |
| C19 | C20 | C21 | 120.6° | 119.9° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C19 | C24 | C23 | 120.6° | 119.8° |
| C19 | C24 | H24 | 119.7° | 120.1° |
| C21 | C20 | H20 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.0° | 120.1° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| C22 | C21 | H21 | 120.0° | 119.9° |
| C21 | C22 | CL25 | 120.1° | 119.9° |
| C21 | C22 | C23 | 120.2° | 120.2° |
| CL25 | C22 | C23 | 119.7° | 119.9° |
| C22 | C23 | C24 | 119.6° | 120.2° |
| C22 | C23 | H23 | 120.2° | 119.9° |
| C24 | C23 | H23 | 120.2° | 120.0° |
| C23 | C24 | H24 | 119.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | S01 | C02 | N06 | 179.0° | 180.0° |
| C05 | S01 | C02 | C03 | 2.3° | 0.0° |
| S01 | C05 | C04 | C03 | 0.4° | 0.0° |
| S01 | C05 | C04 | C19 | 177.2° | 179.9° |
| S01 | C05 | C04 | H04 | 179.6° | 179.9° |
| S01 | C05 | C19 | C20 | 15.1° | 179.7° |
| S01 | C05 | C19 | C24 | 168.7° | 0.1° |
| S01 | C02 | N06 | C03 | 176.2° | 180.0° |
| S01 | C02 | C03 | C04 | 2.4° | 0.0° |
| S01 | C02 | C03 | C10 | 178.3° | 180.0° |
| C02 | S01 | C05 | C04 | 1.5° | 0.0° |
| C02 | S01 | C05 | C19 | 179.0° | 179.9° |
| S01 | C02 | N06 | C07 | 0.4° | 0.0° |
| S01 | C02 | N06 | HN06 | 179.5° | 180.0° |
| N06 | C02 | C03 | C04 | 179.0° | 180.0° |
| N06 | C02 | C03 | C10 | 1.7° | 0.0° |
| C02 | N06 | C07 | HN06 | 180.0° | 180.0° |
| C02 | N06 | C07 | O09 | 2.8° | 0.0° |
| C02 | N06 | C07 | N08 | 179.0° | 180.0° |
| C02 | C03 | C04 | C10 | 179.2° | 180.0° |
| C02 | C03 | C04 | C05 | 1.3° | 0.0° |
| C02 | C03 | C04 | H04 | 178.7° | 180.0° |
| C03 | C02 | N06 | C07 | 176.7° | 180.0° |
| C03 | C02 | N06 | HN06 | 3.3° | 0.0° |
| C02 | C03 | C10 | O11 | 2.3° | 0.1° |
| C02 | C03 | C10 | N12 | 179.4° | 180.0° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C19 | 177.6° | 179.9° |
| C04 | C03 | C10 | O11 | 176.9° | 180.0° |
| C04 | C03 | C10 | N12 | 0.2° | 0.0° |
| C10 | C03 | C04 | C05 | 179.5° | 180.0° |
| C10 | C03 | C04 | H04 | 0.5° | 0.1° |
| C03 | C10 | O11 | N12 | 176.8° | 179.9° |
| C03 | C10 | N12 | C13 | 175.9° | 180.0° |
| C03 | C10 | N12 | HN12 | 4.1° | 0.0° |
| C04 | C05 | C19 | C20 | 161.9° | 0.4° |
| C04 | C05 | C19 | C24 | 14.4° | 180.0° |
| H04 | C04 | C05 | C19 | 2.4° | 0.0° |
| C05 | C19 | C20 | C24 | 176.3° | 179.7° |
| C05 | C19 | C20 | C21 | 178.6° | 179.9° |
| C05 | C19 | C20 | H20 | 1.4° | 0.1° |
| C05 | C19 | C24 | C23 | 178.4° | 179.7° |
| C05 | C19 | C24 | H24 | 1.6° | 0.1° |
| N06 | C07 | O09 | N08 | 178.0° | 179.9° |
| N06 | C07 | N08 | HN08 | 178.3° | 0.1° |
| N06 | C07 | N08 | HN0A | 1.7° | 180.0° |
| HN06 | N06 | C07 | O09 | 177.2° | 180.0° |
| HN06 | N06 | C07 | N08 | 1.0° | 0.1° |
| O09 | C07 | N08 | HN08 | 0.0° | 180.0° |
| O09 | C07 | N08 | HN0A | 180.0° | 0.1° |
| C07 | N08 | HN08 | HN0A | 180.0° | 179.9° |
| O11 | C10 | N12 | C13 | 7.2° | 0.0° |
| O11 | C10 | N12 | HN12 | 172.8° | 179.9° |
| C10 | N12 | C13 | HN12 | 180.0° | 179.9° |
| C10 | N12 | C13 | C18 | 160.0° | 155.0° |
| C10 | N12 | C13 | C14 | 87.2° | 85.1° |
| C10 | N12 | C13 | H13 | 38.6° | 34.9° |
| N12 | C13 | C18 | C14 | 110.3° | 120.0° |
| N12 | C13 | C18 | H13 | 123.4° | 120.1° |
| N12 | C13 | C14 | H13 | 122.3° | 120.0° |
| N12 | C13 | C14 | N15 | 175.1° | 179.1° |
| N12 | C13 | C14 | H14 | 55.1° | 59.2° |
| N12 | C13 | C14 | H14A | 64.9° | 60.8° |
| N12 | C13 | C18 | C17 | 165.2° | 177.6° |
| N12 | C13 | C18 | H18 | 74.8° | 62.5° |
| N12 | C13 | C18 | H18A | 45.2° | 57.7° |
| HN12 | N12 | C13 | C18 | 20.0° | 25.0° |
| HN12 | N12 | C13 | C14 | 92.8° | 94.8° |
| HN12 | N12 | C13 | H13 | 141.4° | 145.2° |
| C18 | C13 | C14 | H13 | 120.7° | 120.0° |
| C18 | C13 | C14 | N15 | 58.0° | 59.2° |
| C18 | C13 | C14 | H14 | 61.9° | 60.8° |
| C18 | C13 | C14 | H14A | 178.0° | 179.2° |
| C13 | C18 | C17 | C16 | 55.5° | 57.7° |
| C13 | C18 | C17 | H18 | 120.0° | 119.9° |
| C13 | C18 | C17 | H18A | 120.0° | 120.0° |
| C13 | C18 | C17 | H17 | 175.5° | 177.6° |
| C13 | C18 | C17 | H17A | 64.5° | 62.3° |
| C13 | C18 | H18 | H18A | 119.1° | 120.2° |
| C13 | C14 | N15 | H14 | 120.0° | 120.0° |
| C13 | C14 | N15 | H14A | 120.0° | 120.1° |
| C13 | C14 | H14 | H14A | 118.3° | 120.0° |
| C13 | C14 | N15 | C16 | 58.9° | 61.7° |
| C13 | C14 | N15 | HN15 | 178.9° | 174.2° |
| C14 | C13 | C18 | C17 | 55.0° | 57.7° |
| C14 | C13 | C18 | H18 | 174.9° | 177.5° |
| C14 | C13 | C18 | H18A | 65.1° | 62.2° |
| H13 | C13 | C14 | N15 | 62.7° | 60.8° |
| H13 | C13 | C14 | H14 | 177.4° | 179.2° |
| H13 | C13 | C14 | H14A | 57.4° | 59.2° |
| H13 | C13 | C18 | C17 | 71.3° | 62.3° |
| H13 | C13 | C18 | H18 | 48.6° | 57.5° |
| H13 | C13 | C18 | H18A | 168.6° | 177.8° |
| N15 | C14 | H14 | H14A | 118.3° | 120.0° |
| C14 | N15 | C16 | HN15 | 120.0° | 124.1° |
| C14 | N15 | C16 | C17 | 54.8° | 61.7° |
| C14 | N15 | C16 | H16 | 65.2° | 58.3° |
| C14 | N15 | C16 | H16A | 174.8° | 178.3° |
| H14 | C14 | N15 | C16 | 61.0° | 58.3° |
| H14 | C14 | N15 | HN15 | 59.0° | 65.8° |
| H14A | C14 | N15 | C16 | 179.0° | 178.3° |
| H14A | C14 | N15 | HN15 | 61.1° | 54.1° |
| N15 | C16 | C17 | H16 | 120.0° | 120.0° |
| N15 | C16 | C17 | H16A | 120.0° | 120.0° |
| N15 | C16 | H16 | H16A | 119.0° | 120.0° |
| N15 | C16 | C17 | C18 | 53.4° | 59.2° |
| N15 | C16 | C17 | H17 | 173.4° | 179.1° |
| N15 | C16 | C17 | H17A | 66.6° | 60.8° |
| HN15 | N15 | C16 | C17 | 174.8° | 174.2° |
| HN15 | N15 | C16 | H16 | 54.8° | 65.8° |
| HN15 | N15 | C16 | H16A | 65.2° | 54.1° |
| C17 | C16 | H16 | H16A | 119.1° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 119.9° |
| C16 | C17 | H17 | H17A | 119.0° | 120.1° |
| C16 | C17 | C18 | H18 | 175.5° | 177.5° |
| C16 | C17 | C18 | H18A | 64.5° | 62.3° |
| H16 | C16 | C17 | C18 | 66.6° | 60.9° |
| H16 | C16 | C17 | H17 | 53.4° | 59.1° |
| H16 | C16 | C17 | H17A | 173.4° | 179.2° |
| H16A | C16 | C17 | C18 | 173.4° | 179.2° |
| H16A | C16 | C17 | H17 | 66.6° | 60.9° |
| H16A | C16 | C17 | H17A | 53.4° | 59.2° |
| C18 | C17 | H17 | H17A | 119.0° | 120.1° |
| C17 | C18 | H18 | H18A | 119.1° | 120.1° |
| H17 | C17 | C18 | H18 | 64.5° | 62.5° |
| H17 | C17 | C18 | H18A | 55.5° | 57.7° |
| H17A | C17 | C18 | H18 | 55.5° | 57.6° |
| H17A | C17 | C18 | H18A | 175.5° | 177.8° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.6° | 0.0° |
| C19 | C20 | C21 | H21 | 178.5° | 180.0° |
| C20 | C19 | C24 | C23 | 2.1° | 0.6° |
| C20 | C19 | C24 | H24 | 177.9° | 179.7° |
| C24 | C19 | C20 | C21 | 2.4° | 0.3° |
| C24 | C19 | C20 | H20 | 177.6° | 179.7° |
| C19 | C24 | C23 | C22 | 1.0° | 0.6° |
| C19 | C24 | C23 | H24 | 180.0° | 179.6° |
| C19 | C24 | C23 | H23 | 179.0° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | CL25 | 179.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| H20 | C20 | C21 | C22 | 178.4° | 180.0° |
| H20 | C20 | C21 | H21 | 1.6° | 0.0° |
| C21 | C22 | CL25 | C23 | 179.2° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.3° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| H21 | C21 | C22 | CL25 | 0.3° | 0.0° |
| H21 | C21 | C22 | C23 | 179.5° | 180.0° |
| CL25 | C22 | C23 | C24 | 179.4° | 179.7° |
| CL25 | C22 | C23 | H23 | 0.6° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | H24 | 179.0° | 179.7° |
| H23 | C23 | C24 | H24 | 1.0° | 0.0° |
