CD2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.36Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.42Å | 1.39Å | Aromatic |
| N10 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | C8 | sing | 1.48Å | 1.49Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | N10 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N12 | C11 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | C15 | sing | 1.48Å | 1.48Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| C17 | N19 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N20 | N19 | sing | 1.28Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.37Å | 1.33Å | Aromatic |
| N20 | C24 | sing | 1.47Å | 1.48Å | |
| C22 | C21 | sing | 1.47Å | 1.50Å | |
| O27 | C22 | doub | 1.22Å | 1.25Å | |
| O25 | C22 | sing | 1.35Å | 1.26Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| N26 | C23 | sing | 1.47Å | 1.45Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| N26 | HN26 | sing | 1.01Å | 1.00Å | |
| N26 | HN2A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 120.7° | 121.1° |
| C2 | C1 | H1 | 119.6° | 119.4° |
| C1 | C2 | C3 | 119.9° | 120.8° |
| C1 | C2 | H2 | 120.0° | 119.6° |
| C4 | C1 | H1 | 119.7° | 119.5° |
| C1 | C4 | C5 | 119.3° | 119.8° |
| C1 | C4 | H4 | 120.4° | 120.1° |
| C3 | C2 | H2 | 120.1° | 119.6° |
| C2 | C3 | C6 | 119.2° | 119.6° |
| C2 | C3 | H3 | 120.4° | 120.2° |
| C6 | C3 | H3 | 120.4° | 120.2° |
| C3 | C6 | C5 | 120.9° | 119.7° |
| C3 | C6 | C7 | 119.6° | 121.2° |
| C5 | C4 | H4 | 120.4° | 120.0° |
| C4 | C5 | C6 | 120.1° | 119.0° |
| C4 | C5 | N10 | 119.6° | 120.9° |
| C6 | C5 | N10 | 120.3° | 120.1° |
| C5 | C6 | C7 | 119.5° | 119.1° |
| C5 | N10 | C9 | 120.8° | 121.7° |
| C6 | C7 | C8 | 119.3° | 118.0° |
| C6 | C7 | H7 | 120.4° | 121.1° |
| C8 | C7 | H7 | 120.4° | 121.0° |
| C7 | C8 | C11 | 121.1° | 120.2° |
| C7 | C8 | C9 | 118.4° | 119.5° |
| C11 | C8 | C9 | 120.4° | 120.2° |
| C8 | C11 | C16 | 122.3° | 119.7° |
| C8 | C11 | N12 | 117.9° | 119.7° |
| C8 | C9 | N10 | 121.7° | 121.6° |
| C8 | C9 | H9 | 119.2° | 119.2° |
| N10 | C9 | H9 | 119.1° | 119.2° |
| C16 | C11 | N12 | 119.8° | 120.7° |
| C11 | C16 | C15 | 119.6° | 118.9° |
| C11 | C16 | H16 | 120.2° | 120.5° |
| C11 | N12 | C13 | 121.4° | 121.9° |
| N12 | C13 | C14 | 120.7° | 121.1° |
| N12 | C13 | H13 | 119.7° | 119.5° |
| C14 | C13 | H13 | 119.6° | 119.5° |
| C13 | C14 | C15 | 119.8° | 119.2° |
| C13 | C14 | H14 | 120.1° | 120.4° |
| C15 | C14 | H14 | 120.1° | 120.4° |
| C14 | C15 | C17 | 119.0° | 120.8° |
| C14 | C15 | C16 | 118.7° | 118.3° |
| C17 | C15 | C16 | 122.3° | 120.9° |
| C15 | C17 | C18 | 125.1° | 126.2° |
| C15 | C17 | N19 | 127.2° | 126.2° |
| C15 | C16 | H16 | 120.2° | 120.5° |
| C18 | C17 | N19 | 107.6° | 107.6° |
| C17 | C18 | C21 | 109.3° | 105.3° |
| C17 | C18 | H18 | 125.4° | 127.3° |
| C17 | N19 | N20 | 106.7° | 110.8° |
| C21 | C18 | H18 | 125.3° | 127.4° |
| C18 | C21 | N20 | 106.1° | 106.5° |
| C18 | C21 | C22 | 123.9° | 126.8° |
| N19 | N20 | C21 | 110.3° | 109.9° |
| N19 | N20 | C24 | 117.7° | 125.0° |
| C21 | N20 | C24 | 132.0° | 125.1° |
| N20 | C21 | C22 | 130.0° | 126.8° |
| N20 | C24 | C23 | 113.5° | 109.5° |
| N20 | C24 | H24 | 108.2° | 109.4° |
| N20 | C24 | H24A | 108.1° | 109.5° |
| C21 | C22 | O27 | 116.7° | 120.0° |
| C21 | C22 | O25 | 122.0° | 120.0° |
| O27 | C22 | O25 | 121.3° | 120.0° |
| C22 | O25 | HO25 | 109.5° | 117.0° |
| C24 | C23 | N26 | 110.1° | 109.5° |
| C24 | C23 | H23 | 109.3° | 109.5° |
| C24 | C23 | H23A | 109.3° | 109.5° |
| C23 | C24 | H24 | 108.2° | 109.5° |
| C23 | C24 | H24A | 108.1° | 109.5° |
| N26 | C23 | H23 | 109.2° | 109.4° |
| N26 | C23 | H23A | 109.2° | 109.5° |
| C23 | N26 | HN26 | 109.5° | 111.0° |
| C23 | N26 | HN2A | 109.4° | 111.1° |
| H23 | C23 | H23A | 109.7° | 109.4° |
| H24 | C24 | H24A | 110.7° | 109.5° |
| HN26 | N26 | HN2A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 0.3° | 0.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C4 | C5 | 0.4° | 0.2° |
| C2 | C1 | C4 | H4 | 179.6° | 179.7° |
| C4 | C1 | C2 | C3 | 0.0° | 0.3° |
| C4 | C1 | C2 | H2 | 180.0° | 179.8° |
| C1 | C4 | C5 | H4 | 180.0° | 179.9° |
| C1 | C4 | C5 | C6 | 0.4° | 0.0° |
| C1 | C4 | C5 | N10 | 180.0° | 180.0° |
| H1 | C1 | C2 | C3 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H1 | C1 | C4 | C5 | 179.6° | 180.0° |
| H1 | C1 | C4 | H4 | 0.4° | 0.1° |
| C2 | C3 | C6 | H3 | 180.0° | 180.0° |
| C2 | C3 | C6 | C5 | 0.3° | 0.2° |
| C2 | C3 | C6 | C7 | 179.8° | 180.0° |
| H2 | C2 | C3 | C6 | 179.7° | 180.0° |
| H2 | C2 | C3 | H3 | 0.4° | 0.0° |
| C3 | C6 | C5 | C4 | 0.0° | 0.3° |
| C3 | C6 | C5 | C7 | 179.9° | 179.7° |
| C3 | C6 | C5 | N10 | 179.6° | 179.7° |
| C3 | C6 | C7 | C8 | 179.8° | 180.0° |
| C3 | C6 | C7 | H7 | 0.2° | 0.0° |
| H3 | C3 | C6 | C5 | 179.6° | 179.7° |
| H3 | C3 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | N10 | 179.6° | 180.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | N10 | C9 | 179.8° | 179.4° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C5 | N10 | 0.0° | 0.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.3° |
| C5 | C6 | C7 | H7 | 179.7° | 179.8° |
| C6 | C5 | N10 | C9 | 0.2° | 0.6° |
| N10 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | N10 | C9 | C8 | 0.4° | 0.8° |
| C5 | N10 | C9 | H9 | 179.6° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C11 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 0.9° | 0.1° |
| C7 | C8 | C11 | C9 | 179.2° | 180.0° |
| C7 | C8 | C9 | N10 | 1.0° | 0.5° |
| C7 | C8 | C9 | H9 | 179.0° | 180.0° |
| C7 | C8 | C11 | C16 | 33.8° | 179.7° |
| C7 | C8 | C11 | N12 | 146.7° | 0.0° |
| H7 | C7 | C8 | C11 | 0.1° | 0.0° |
| H7 | C7 | C8 | C9 | 179.1° | 180.0° |
| C11 | C8 | C9 | N10 | 179.8° | 179.5° |
| C11 | C8 | C9 | H9 | 0.2° | 0.0° |
| C8 | C11 | C16 | N12 | 179.5° | 179.8° |
| C8 | C11 | N12 | C13 | 179.6° | 179.9° |
| C8 | C11 | C16 | C15 | 179.8° | 179.8° |
| C8 | C11 | C16 | H16 | 0.2° | 0.2° |
| C8 | C9 | N10 | H9 | 180.0° | 179.5° |
| C9 | C8 | C11 | C16 | 146.9° | 0.3° |
| C9 | C8 | C11 | N12 | 32.6° | 180.0° |
| C16 | C11 | N12 | C13 | 0.1° | 0.2° |
| C11 | C16 | C15 | C14 | 0.1° | 0.5° |
| C11 | C16 | C15 | C17 | 178.4° | 179.8° |
| C11 | C16 | C15 | H16 | 180.0° | 179.6° |
| C11 | N12 | C13 | C14 | 0.4° | 0.1° |
| C11 | N12 | C13 | H13 | 179.6° | 180.0° |
| N12 | C11 | C16 | C15 | 0.3° | 0.5° |
| N12 | C11 | C16 | H16 | 179.7° | 180.0° |
| N12 | C13 | C14 | H13 | 180.0° | 179.9° |
| N12 | C13 | C14 | C15 | 0.6° | 0.1° |
| N12 | C13 | C14 | H14 | 179.4° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 178.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.2° |
| H13 | C13 | C14 | C15 | 179.4° | 180.0° |
| H13 | C13 | C14 | H14 | 0.6° | 0.1° |
| C14 | C15 | C17 | C16 | 178.5° | 179.7° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C14 | C15 | C17 | C18 | 13.0° | 5.3° |
| C14 | C15 | C17 | N19 | 164.3° | 175.0° |
| H14 | C14 | C15 | C17 | 1.1° | 0.0° |
| H14 | C14 | C15 | C16 | 179.6° | 179.7° |
| C17 | C15 | C16 | H16 | 1.6° | 0.2° |
| C15 | C17 | C18 | N19 | 177.7° | 179.7° |
| C15 | C17 | C18 | C21 | 178.8° | 180.0° |
| C15 | C17 | C18 | H18 | 1.2° | 0.1° |
| C15 | C17 | N19 | N20 | 178.2° | 180.0° |
| C16 | C15 | C17 | C18 | 168.5° | 174.4° |
| C16 | C15 | C17 | N19 | 14.2° | 5.3° |
| C17 | C18 | C21 | H18 | 180.0° | 179.9° |
| C18 | C17 | N19 | N20 | 0.6° | 0.2° |
| C17 | C18 | C21 | N20 | 1.2° | 0.2° |
| C17 | C18 | C21 | C22 | 179.6° | 180.0° |
| N19 | C17 | C18 | C21 | 1.1° | 0.3° |
| N19 | C17 | C18 | H18 | 178.9° | 179.8° |
| C17 | N19 | N20 | C21 | 0.2° | 0.1° |
| C17 | N19 | N20 | C24 | 178.9° | 180.0° |
| C18 | C21 | N20 | N19 | 0.8° | 0.1° |
| C18 | C21 | N20 | C22 | 179.1° | 179.8° |
| C18 | C21 | N20 | C24 | 179.3° | 179.8° |
| C18 | C21 | C22 | O27 | 30.2° | 0.1° |
| C18 | C21 | C22 | O25 | 149.2° | 180.0° |
| H18 | C18 | C21 | N20 | 178.8° | 179.9° |
| H18 | C18 | C21 | C22 | 0.4° | 0.1° |
| N19 | N20 | C21 | C24 | 178.4° | 179.9° |
| N19 | N20 | C21 | C22 | 180.0° | 179.8° |
| N19 | N20 | C24 | C23 | 36.6° | 90.0° |
| N19 | N20 | C24 | H24 | 156.6° | 150.0° |
| N19 | N20 | C24 | H24A | 83.4° | 30.0° |
| N20 | C21 | C22 | O27 | 148.8° | 179.8° |
| N20 | C21 | C22 | O25 | 31.8° | 0.2° |
| C21 | N20 | C24 | C23 | 145.1° | 90.1° |
| C21 | N20 | C24 | H24 | 25.0° | 29.9° |
| C21 | N20 | C24 | H24A | 95.0° | 149.8° |
| C24 | N20 | C21 | C22 | 1.6° | 0.0° |
| N20 | C24 | C23 | H24 | 120.0° | 120.0° |
| N20 | C24 | C23 | H24A | 120.0° | 120.0° |
| N20 | C24 | C23 | N26 | 60.1° | 180.0° |
| N20 | C24 | C23 | H23 | 179.9° | 60.0° |
| N20 | C24 | C23 | H23A | 59.9° | 60.0° |
| N20 | C24 | H24 | H24A | 118.3° | 120.0° |
| C21 | C22 | O27 | O25 | 179.5° | 180.0° |
| C21 | C22 | O25 | HO25 | 179.5° | 179.9° |
| O27 | C22 | O25 | HO25 | 0.0° | 0.1° |
| C24 | C23 | N26 | H23 | 120.0° | 120.0° |
| C24 | C23 | N26 | H23A | 120.0° | 120.1° |
| C24 | C23 | H23 | H23A | 119.8° | 120.0° |
| C23 | C24 | H24 | H24A | 118.3° | 120.0° |
| C24 | C23 | N26 | HN26 | 180.0° | 56.0° |
| C24 | C23 | N26 | HN2A | 60.0° | 180.0° |
| N26 | C23 | H23 | H23A | 119.7° | 120.0° |
| N26 | C23 | C24 | H24 | 59.9° | 60.0° |
| N26 | C23 | C24 | H24A | 179.9° | 60.0° |
| C23 | N26 | HN26 | HN2A | 120.0° | 124.1° |
| H23 | C23 | C24 | H24 | 60.0° | 180.0° |
| H23 | C23 | C24 | H24A | 59.9° | 60.0° |
| H23 | C23 | N26 | HN26 | 60.0° | 64.0° |
| H23 | C23 | N26 | HN2A | 180.0° | 60.0° |
| H23A | C23 | C24 | H24 | 179.9° | 60.0° |
| H23A | C23 | C24 | H24A | 60.1° | 180.0° |
| H23A | C23 | N26 | HN26 | 60.0° | 176.1° |
| H23A | C23 | N26 | HN2A | 60.0° | 59.9° |
