DLN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | N7 | sing | 1.47Å | 1.48Å | |
| N7 | N8 | sing | 1.40Å | 1.24Å | Aromatic |
| N7 | C3 | sing | 1.36Å | 1.36Å | Aromatic |
| N8 | CAI | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| N2 | C1 | doub | 1.31Å | 1.36Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| N6 | C5 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | N10 | sing | 1.38Å | 1.30Å | |
| C5 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | CAI | sing | 1.47Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.43Å | 1.41Å | |
| C11 | CAM | trip | 1.17Å | 1.19Å | |
| C12 | C13 | sing | 1.40Å | 1.36Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | O18 | sing | 1.36Å | 1.38Å | |
| CAI | CAM | sing | 1.43Å | 1.40Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C21 | 113.2° | 109.5° |
| C20 | C19 | N7 | 109.9° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.5° |
| C20 | C19 | H19 | 108.0° | 109.6° |
| C21 | C19 | N7 | 113.4° | 109.4° |
| C21 | C19 | H19 | 104.1° | 109.5° |
| C19 | C21 | H211 | 109.5° | 109.5° |
| C19 | C21 | H212 | 109.5° | 109.5° |
| C19 | C21 | H213 | 109.4° | 109.4° |
| C19 | N7 | N8 | 118.9° | 125.2° |
| C19 | N7 | C3 | 130.1° | 125.2° |
| N7 | C19 | H19 | 107.8° | 109.4° |
| N8 | N7 | C3 | 110.7° | 109.5° |
| N7 | N8 | CAI | 110.0° | 109.8° |
| N7 | C3 | N2 | 136.1° | 134.5° |
| N7 | C3 | C4 | 106.2° | 107.0° |
| N8 | CAI | C4 | 108.3° | 107.3° |
| N8 | CAI | CAM | 126.4° | 126.3° |
| N2 | C3 | C4 | 117.7° | 118.6° |
| C3 | N2 | C1 | 120.5° | 120.7° |
| C3 | C4 | C5 | 120.8° | 118.6° |
| C3 | C4 | CAI | 104.7° | 106.4° |
| N2 | C1 | N6 | 122.2° | 122.7° |
| N2 | C1 | H1 | 118.9° | 118.6° |
| C1 | N6 | C5 | 118.2° | 121.0° |
| N6 | C1 | H1 | 118.9° | 118.6° |
| N6 | C5 | N10 | 122.2° | 120.8° |
| N6 | C5 | C4 | 120.4° | 118.4° |
| N10 | C5 | C4 | 117.4° | 120.8° |
| C5 | N10 | H101 | 109.5° | 120.0° |
| C5 | N10 | H102 | 109.4° | 120.0° |
| C5 | C4 | CAI | 134.4° | 135.0° |
| C4 | CAI | CAM | 125.2° | 126.3° |
| C12 | C11 | CAM | 171.6° | 180.0° |
| C11 | C12 | C13 | 118.1° | 120.1° |
| C11 | C12 | C17 | 120.7° | 120.1° |
| C11 | CAM | CAI | 173.6° | 180.0° |
| C13 | C12 | C17 | 121.1° | 119.7° |
| C12 | C13 | C14 | 117.5° | 119.7° |
| C12 | C13 | H13 | 121.3° | 120.1° |
| C12 | C17 | C16 | 121.8° | 119.9° |
| C12 | C17 | H17 | 119.1° | 120.0° |
| C13 | C14 | C15 | 121.7° | 120.1° |
| C13 | C14 | O18 | 118.6° | 120.0° |
| C14 | C13 | H13 | 121.2° | 120.2° |
| C17 | C16 | C15 | 116.9° | 120.2° |
| C16 | C17 | H17 | 119.1° | 120.0° |
| C17 | C16 | H16 | 121.5° | 119.9° |
| C16 | C15 | C14 | 121.0° | 120.2° |
| C15 | C16 | H16 | 121.6° | 119.9° |
| C16 | C15 | H15 | 119.5° | 119.9° |
| C15 | C14 | O18 | 119.7° | 120.0° |
| C14 | C15 | H15 | 119.5° | 119.8° |
| C14 | O18 | H18 | 109.5° | 114.0° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H101 | N10 | H102 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C21 | N7 | 126.0° | 120.0° |
| C20 | C19 | C21 | H19 | 117.1° | 120.1° |
| C20 | C19 | N7 | H19 | 117.5° | 120.1° |
| C20 | C19 | N7 | N8 | 39.3° | 59.9° |
| C20 | C19 | N7 | C3 | 147.1° | 119.7° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.1° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C19 | C21 | H211 | 113.8° | 60.0° |
| C20 | C19 | C21 | H212 | 126.2° | 180.0° |
| C20 | C19 | C21 | H213 | 6.2° | 60.0° |
| C21 | C19 | N7 | H19 | 114.7° | 119.9° |
| C21 | C19 | N7 | N8 | 167.1° | 60.1° |
| C21 | C19 | N7 | C3 | 19.3° | 120.3° |
| C21 | C19 | C20 | H201 | 57.7° | 60.1° |
| C21 | C19 | C20 | H202 | 177.7° | 180.0° |
| C21 | C19 | C20 | H203 | 62.3° | 60.0° |
| C19 | C21 | H211 | H212 | 120.0° | 120.1° |
| C19 | C21 | H211 | H213 | 120.0° | 120.0° |
| C19 | C21 | H212 | H213 | 120.0° | 120.0° |
| C19 | N7 | N8 | C3 | 174.8° | 179.7° |
| C19 | N7 | N8 | CAI | 176.5° | 179.9° |
| C19 | N7 | C3 | N2 | 2.3° | 0.1° |
| C19 | N7 | C3 | C4 | 175.8° | 180.0° |
| N7 | C19 | C20 | H201 | 70.1° | 180.0° |
| N7 | C19 | C20 | H202 | 49.9° | 60.0° |
| N7 | C19 | C20 | H203 | 169.8° | 59.9° |
| N7 | C19 | C21 | H211 | 120.2° | 60.0° |
| N7 | C19 | C21 | H212 | 0.1° | 60.0° |
| N7 | C19 | C21 | H213 | 119.8° | 180.0° |
| N8 | N7 | C3 | N2 | 176.4° | 179.8° |
| N8 | N7 | C3 | C4 | 1.7° | 0.3° |
| N7 | N8 | CAI | C4 | 1.0° | 0.1° |
| N7 | N8 | CAI | CAM | 179.5° | 180.0° |
| N8 | N7 | C19 | H19 | 78.2° | 180.0° |
| C3 | N7 | N8 | CAI | 1.7° | 0.3° |
| N7 | C3 | N2 | C4 | 177.9° | 179.9° |
| N7 | C3 | N2 | C1 | 178.4° | 180.0° |
| N7 | C3 | C4 | C5 | 179.3° | 180.0° |
| N7 | C3 | C4 | CAI | 1.0° | 0.2° |
| C3 | N7 | C19 | H19 | 95.4° | 0.4° |
| N8 | CAI | C4 | C3 | 0.1° | 0.0° |
| N8 | CAI | C4 | C5 | 178.0° | 179.8° |
| N8 | CAI | C4 | CAM | 179.5° | 179.9° |
| N8 | CAI | CAM | C11 | 31.4° | 58.5° |
| C3 | N2 | C1 | N6 | 5.6° | 0.0° |
| N2 | C3 | C4 | C5 | 0.8° | 0.1° |
| N2 | C3 | C4 | CAI | 177.5° | 179.9° |
| C3 | N2 | C1 | H1 | 174.4° | 180.0° |
| C4 | C3 | N2 | C1 | 3.7° | 0.1° |
| C3 | C4 | C5 | N6 | 0.4° | 0.1° |
| C3 | C4 | C5 | N10 | 178.4° | 180.0° |
| C3 | C4 | C5 | CAI | 177.6° | 179.7° |
| C3 | C4 | CAI | CAM | 179.4° | 179.9° |
| N2 | C1 | N6 | H1 | 180.0° | 180.0° |
| N2 | C1 | N6 | C5 | 4.4° | 0.0° |
| C1 | N6 | C5 | N10 | 176.6° | 180.0° |
| C1 | N6 | C5 | C4 | 1.3° | 0.0° |
| N6 | C5 | N10 | C4 | 178.0° | 180.0° |
| N6 | C5 | C4 | CAI | 178.0° | 179.8° |
| C5 | N6 | C1 | H1 | 175.7° | 180.0° |
| N6 | C5 | N10 | H101 | 54.4° | 0.0° |
| N6 | C5 | N10 | H102 | 65.6° | 179.9° |
| N10 | C5 | C4 | CAI | 4.0° | 0.3° |
| C5 | N10 | H101 | H102 | 120.0° | 180.0° |
| C5 | C4 | CAI | CAM | 1.5° | 0.1° |
| C4 | C5 | N10 | H101 | 123.6° | 180.0° |
| C4 | C5 | N10 | H102 | 116.4° | 0.0° |
| C4 | CAI | CAM | C11 | 149.2° | 121.4° |
| C11 | C12 | C13 | C17 | 176.0° | 179.8° |
| C11 | C12 | C13 | C14 | 178.5° | 180.0° |
| C11 | C12 | C17 | C16 | 178.9° | 180.0° |
| C12 | C11 | CAM | CAI | 36.1° | 180.0° |
| C11 | C12 | C13 | H13 | 1.5° | 0.0° |
| C11 | C12 | C17 | H17 | 1.1° | 0.1° |
| CAM | C11 | C12 | C13 | 100.5° | 58.5° |
| CAM | C11 | C12 | C17 | 75.5° | 121.3° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C17 | C16 | 3.0° | 0.2° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C12 | C13 | C14 | O18 | 179.6° | 180.0° |
| C13 | C12 | C17 | H17 | 177.0° | 179.7° |
| C17 | C12 | C13 | C14 | 2.6° | 0.2° |
| C12 | C17 | C16 | H17 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 1.2° | 0.1° |
| C17 | C12 | C13 | H13 | 177.5° | 179.8° |
| C12 | C17 | C16 | H16 | 178.8° | 180.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.3° |
| C13 | C14 | C15 | O18 | 179.8° | 180.0° |
| C13 | C14 | C15 | H15 | 178.9° | 179.9° |
| C13 | C14 | O18 | H18 | 152.5° | 90.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.8° | 0.3° |
| C17 | C16 | C15 | H15 | 179.2° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.6° |
| C16 | C15 | C14 | O18 | 178.7° | 179.7° |
| C15 | C16 | C17 | H17 | 178.8° | 180.0° |
| C15 | C14 | C13 | H13 | 179.5° | 180.0° |
| C14 | C15 | C16 | H16 | 179.2° | 179.7° |
| C15 | C14 | O18 | H18 | 27.4° | 90.1° |
| O18 | C14 | C13 | H13 | 0.4° | 0.0° |
| O18 | C14 | C15 | H15 | 1.3° | 0.1° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H201 | C20 | C19 | H19 | 172.5° | 60.0° |
| H202 | C20 | C19 | H19 | 67.5° | 60.0° |
| H203 | C20 | C19 | H19 | 52.4° | 179.9° |
| H19 | C19 | C21 | H211 | 3.3° | 179.9° |
| H19 | C19 | C21 | H212 | 116.7° | 59.9° |
| H19 | C19 | C21 | H213 | 123.3° | 60.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H17 | C17 | C16 | H16 | 1.2° | 0.1° |
| H16 | C16 | C15 | H15 | 0.8° | 0.1° |
