465
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.39Å | 1.48Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.51Å | Aromatic |
| C1 | N11 | sing | 1.39Å | 1.37Å | |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.43Å | Aromatic |
| C3 | N10 | doub | 1.32Å | 1.32Å | Aromatic |
| N17 | C4 | sing | 1.37Å | 1.34Å | |
| C4 | C5 | doub | 1.39Å | 1.45Å | Aromatic |
| CL1 | C5 | sing | 1.74Å | 1.71Å | |
| C5 | C6 | sing | 1.40Å | 1.47Å | Aromatic |
| N15 | C6 | sing | 1.39Å | 1.41Å | |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | C9 | sing | 1.33Å | 1.40Å | Aromatic |
| C19 | C9 | sing | 1.48Å | 1.48Å | |
| N11 | C12 | sing | 1.36Å | 1.37Å | |
| N11 | C14 | sing | 1.46Å | 1.50Å | |
| C12 | O13 | doub | 1.22Å | 1.27Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| N15 | HN1A | sing | 0.97Å | 1.00Å | |
| C18 | N17 | doub | 1.29Å | 1.40Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H18A | sing | 1.08Å | 1.08Å | |
| N21 | C19 | sing | 1.35Å | 1.32Å | |
| C19 | O20 | doub | 1.22Å | 1.27Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| N21 | HN2A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.1° | 116.9° |
| C6 | C1 | N11 | 134.0° | 136.2° |
| C1 | C6 | C5 | 109.6° | 120.6° |
| C1 | C6 | N15 | 129.4° | 119.7° |
| C2 | C1 | N11 | 105.9° | 106.9° |
| C1 | C2 | C3 | 126.0° | 125.7° |
| C1 | C2 | C7 | 112.8° | 110.6° |
| C1 | N11 | C12 | 106.3° | 110.3° |
| C1 | N11 | C14 | 128.8° | 124.9° |
| C3 | C2 | C7 | 120.8° | 123.7° |
| C2 | C3 | C4 | 115.5° | 116.3° |
| C2 | C3 | N10 | 120.1° | 118.1° |
| C2 | C7 | C8 | 120.5° | 115.6° |
| C2 | C7 | C12 | 96.2° | 104.3° |
| C4 | C3 | N10 | 124.3° | 125.6° |
| C3 | C4 | N17 | 122.5° | 121.2° |
| C3 | C4 | C5 | 119.2° | 117.6° |
| C3 | N10 | C9 | 118.0° | 120.6° |
| N17 | C4 | C5 | 118.0° | 121.2° |
| C4 | N17 | C18 | 122.4° | 120.0° |
| C4 | C5 | CL1 | 110.0° | 118.5° |
| C4 | C5 | C6 | 129.1° | 122.9° |
| CL1 | C5 | C6 | 120.6° | 118.6° |
| C5 | C6 | N15 | 120.9° | 119.7° |
| C6 | N15 | HN15 | 109.5° | 120.0° |
| C6 | N15 | HN1A | 109.5° | 120.0° |
| C8 | C7 | C12 | 143.3° | 140.1° |
| C7 | C8 | C9 | 114.0° | 118.4° |
| C7 | C8 | H8 | 123.0° | 120.8° |
| C7 | C12 | N11 | 118.7° | 107.9° |
| C7 | C12 | O13 | 121.3° | 126.1° |
| C9 | C8 | H8 | 123.0° | 120.7° |
| C8 | C9 | N10 | 125.9° | 123.6° |
| C8 | C9 | C19 | 120.1° | 118.2° |
| N10 | C9 | C19 | 113.7° | 118.2° |
| C9 | C19 | N21 | 117.3° | 120.0° |
| C9 | C19 | O20 | 118.9° | 120.0° |
| C12 | N11 | C14 | 124.9° | 124.8° |
| N11 | C12 | O13 | 119.8° | 126.1° |
| N11 | C14 | H14 | 109.5° | 109.5° |
| N11 | C14 | H14A | 109.5° | 109.5° |
| N11 | C14 | H14B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| HN15 | N15 | HN1A | 109.5° | 120.0° |
| N17 | C18 | H18 | 120.0° | 120.0° |
| N17 | C18 | H18A | 120.0° | 120.0° |
| H18 | C18 | H18A | 120.0° | 120.0° |
| N21 | C19 | O20 | 123.8° | 120.0° |
| C19 | N21 | HN21 | 120.0° | 120.0° |
| C19 | N21 | HN2A | 120.0° | 120.1° |
| HN21 | N21 | HN2A | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | N11 | 178.9° | 179.8° |
| C6 | C1 | C2 | C3 | 5.0° | 0.2° |
| C6 | C1 | C2 | C7 | 178.3° | 179.8° |
| C1 | C6 | C5 | C4 | 4.8° | 0.5° |
| C1 | C6 | C5 | CL1 | 178.4° | 179.8° |
| C1 | C6 | C5 | N15 | 176.6° | 179.5° |
| C6 | C1 | N11 | C12 | 178.9° | 179.7° |
| C6 | C1 | N11 | C14 | 0.2° | 0.3° |
| C1 | C6 | N15 | HN15 | 180.0° | 173.0° |
| C1 | C6 | N15 | HN1A | 60.0° | 7.0° |
| C1 | C2 | C3 | C7 | 172.8° | 179.9° |
| C1 | C2 | C3 | C4 | 3.0° | 0.0° |
| C1 | C2 | C3 | N10 | 179.5° | 179.9° |
| C2 | C1 | C6 | C5 | 1.1° | 0.4° |
| C2 | C1 | C6 | N15 | 175.1° | 180.0° |
| C1 | C2 | C7 | C8 | 179.2° | 179.9° |
| C1 | C2 | C7 | C12 | 3.7° | 0.1° |
| C2 | C1 | N11 | C12 | 0.2° | 0.0° |
| C2 | C1 | N11 | C14 | 178.9° | 180.0° |
| N11 | C1 | C2 | C3 | 176.1° | 180.0° |
| N11 | C1 | C2 | C7 | 2.8° | 0.1° |
| N11 | C1 | C6 | C5 | 179.6° | 179.8° |
| N11 | C1 | C6 | N15 | 3.4° | 0.3° |
| C1 | N11 | C12 | C7 | 2.5° | 0.0° |
| C1 | N11 | C12 | C14 | 179.1° | 180.0° |
| C1 | N11 | C12 | O13 | 177.1° | 180.0° |
| C1 | N11 | C14 | H14 | 180.0° | 84.2° |
| C1 | N11 | C14 | H14A | 60.0° | 155.8° |
| C1 | N11 | C14 | H14B | 60.0° | 35.8° |
| C2 | C3 | C4 | N10 | 176.3° | 180.0° |
| C2 | C3 | C4 | N17 | 176.2° | 180.0° |
| C2 | C3 | C4 | C5 | 2.5° | 0.0° |
| C3 | C2 | C7 | C8 | 5.5° | 0.0° |
| C3 | C2 | C7 | C12 | 177.4° | 180.0° |
| C2 | C3 | N10 | C9 | 8.1° | 0.0° |
| C7 | C2 | C3 | C4 | 175.8° | 180.0° |
| C7 | C2 | C3 | N10 | 7.7° | 0.0° |
| C2 | C7 | C8 | C12 | 175.2° | 179.9° |
| C2 | C7 | C8 | C9 | 3.9° | 0.1° |
| C2 | C7 | C8 | H8 | 176.1° | 180.0° |
| C2 | C7 | C12 | N11 | 3.9° | 0.0° |
| C2 | C7 | C12 | O13 | 178.4° | 180.0° |
| C3 | C4 | N17 | C5 | 173.8° | 180.0° |
| C3 | C4 | C5 | CL1 | 178.8° | 180.0° |
| C3 | C4 | C5 | C6 | 7.0° | 0.3° |
| C4 | C3 | N10 | C9 | 175.7° | 180.0° |
| C3 | C4 | N17 | C18 | 0.4° | 90.0° |
| N10 | C3 | C4 | N17 | 0.1° | 0.0° |
| N10 | C3 | C4 | C5 | 173.8° | 180.0° |
| C3 | N10 | C9 | C8 | 7.1° | 0.1° |
| C3 | N10 | C9 | C19 | 178.9° | 180.0° |
| N17 | C4 | C5 | CL1 | 4.8° | 0.0° |
| N17 | C4 | C5 | C6 | 179.0° | 179.7° |
| C4 | N17 | C18 | H18 | 0.0° | 180.0° |
| C4 | N17 | C18 | H18A | 180.0° | 0.0° |
| C4 | C5 | CL1 | C6 | 174.7° | 179.7° |
| C4 | C5 | C6 | N15 | 178.7° | 179.9° |
| C5 | C4 | N17 | C18 | 174.2° | 90.0° |
| CL1 | C5 | C6 | N15 | 5.1° | 0.3° |
| C5 | C6 | N15 | HN15 | 4.2° | 7.5° |
| C5 | C6 | N15 | HN1A | 124.2° | 172.5° |
| C6 | N15 | HN15 | HN1A | 120.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | N10 | 4.9° | 0.1° |
| C7 | C8 | C9 | C19 | 178.5° | 180.0° |
| C8 | C7 | C12 | N11 | 179.7° | 179.9° |
| C8 | C7 | C12 | O13 | 5.8° | 0.1° |
| C12 | C7 | C8 | C9 | 179.1° | 180.0° |
| C12 | C7 | C8 | H8 | 0.9° | 0.1° |
| C7 | C12 | N11 | O13 | 174.6° | 180.0° |
| C7 | C12 | N11 | C14 | 178.4° | 180.0° |
| C8 | C9 | N10 | C19 | 174.0° | 179.9° |
| C8 | C9 | C19 | N21 | 177.8° | 179.9° |
| C8 | C9 | C19 | O20 | 0.1° | 0.0° |
| H8 | C8 | C9 | N10 | 175.1° | 180.0° |
| H8 | C8 | C9 | C19 | 1.5° | 0.1° |
| N10 | C9 | C19 | N21 | 3.5° | 0.0° |
| N10 | C9 | C19 | O20 | 174.5° | 179.9° |
| C9 | C19 | N21 | O20 | 177.8° | 180.0° |
| C9 | C19 | N21 | HN21 | 177.8° | 0.0° |
| C9 | C19 | N21 | HN2A | 2.2° | 179.9° |
| C12 | N11 | C14 | H14 | 1.1° | 95.8° |
| C12 | N11 | C14 | H14A | 118.9° | 24.2° |
| C12 | N11 | C14 | H14B | 121.1° | 144.2° |
| C14 | N11 | C12 | O13 | 3.8° | 0.0° |
| N11 | C14 | H14 | H14A | 120.0° | 120.0° |
| N11 | C14 | H14 | H14B | 120.0° | 120.1° |
| N11 | C14 | H14A | H14B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| N17 | C18 | H18 | H18A | 180.0° | 180.0° |
| C19 | N21 | HN21 | HN2A | 180.0° | 180.0° |
| O20 | C19 | N21 | HN21 | 0.0° | 180.0° |
| O20 | C19 | N21 | HN2A | 180.0° | 0.1° |
