TIF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | S8 | sing | 1.81Å | 1.68Å | |
| S8 | N9 | sing | 1.66Å | 1.61Å | |
| S8 | O22 | doub | 1.42Å | 1.44Å | |
| S8 | O23 | doub | 1.42Å | 1.43Å | |
| N9 | C10 | sing | 1.46Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C18 | sing | 1.53Å | 1.53Å | |
| C11 | N12 | sing | 1.35Å | 1.33Å | |
| C11 | O17 | doub | 1.21Å | 1.23Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| N12 | C16 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C13 | C24 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C24 | N25 | sing | 1.35Å | 1.34Å | |
| C24 | O33 | doub | 1.21Å | 1.23Å | |
| N25 | C26 | sing | 1.47Å | 1.46Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C34 | sing | 1.48Å | 1.50Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | N35 | doub | 1.30Å | 1.27Å | |
| C34 | N36 | sing | 1.38Å | 1.34Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| N36 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 120.0° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C2 | C1 | H1 | 120.3° | 120.1° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C6 | C1 | H1 | 120.2° | 119.9° |
| C1 | C6 | H6 | 119.9° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | C7 | 120.4° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C5 | C4 | C7 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C4 | C7 | S8 | 111.7° | 109.5° |
| C4 | C7 | H7 | 108.9° | 109.5° |
| C4 | C7 | H7A | 108.9° | 109.5° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.1° |
| C7 | S8 | N9 | 108.0° | 104.4° |
| C7 | S8 | O22 | 109.7° | 110.6° |
| C7 | S8 | O23 | 107.0° | 110.5° |
| S8 | C7 | H7 | 108.9° | 109.5° |
| S8 | C7 | H7A | 108.9° | 109.5° |
| N9 | S8 | O22 | 110.8° | 104.3° |
| N9 | S8 | O23 | 108.2° | 104.3° |
| S8 | N9 | C10 | 125.5° | 120.0° |
| S8 | N9 | HN9 | 105.3° | 120.0° |
| O22 | S8 | O23 | 113.0° | 121.0° |
| N9 | C10 | C11 | 111.1° | 109.5° |
| N9 | C10 | C18 | 111.3° | 109.5° |
| C10 | N9 | HN9 | 105.3° | 120.0° |
| N9 | C10 | H10 | 109.2° | 109.5° |
| C11 | C10 | C18 | 108.5° | 109.5° |
| C10 | C11 | N12 | 119.8° | 120.0° |
| C10 | C11 | O17 | 119.9° | 120.0° |
| C11 | C10 | H10 | 108.4° | 109.5° |
| C10 | C18 | C19 | 112.3° | 109.4° |
| C18 | C10 | H10 | 108.2° | 109.5° |
| C10 | C18 | H18 | 108.8° | 109.5° |
| C10 | C18 | H18A | 108.8° | 109.4° |
| N12 | C11 | O17 | 120.2° | 120.0° |
| C11 | N12 | C13 | 119.6° | 125.7° |
| C11 | N12 | C16 | 127.6° | 125.7° |
| C13 | N12 | C16 | 112.8° | 108.7° |
| N12 | C13 | C14 | 106.1° | 107.3° |
| N12 | C13 | C24 | 109.9° | 109.9° |
| N12 | C13 | H13 | 110.8° | 109.9° |
| N12 | C16 | C15 | 105.3° | 104.7° |
| N12 | C16 | H16 | 110.5° | 110.3° |
| N12 | C16 | H16A | 110.5° | 110.3° |
| C14 | C13 | C24 | 109.6° | 109.9° |
| C13 | C14 | C15 | 106.7° | 103.0° |
| C14 | C13 | H13 | 110.0° | 109.9° |
| C13 | C14 | H14 | 110.2° | 110.7° |
| C13 | C14 | H14A | 110.2° | 110.7° |
| C13 | C24 | N25 | 117.8° | 120.0° |
| C13 | C24 | O33 | 120.6° | 120.0° |
| C24 | C13 | H13 | 110.2° | 110.0° |
| C14 | C15 | C16 | 108.2° | 101.5° |
| C15 | C14 | H14 | 110.2° | 110.7° |
| C15 | C14 | H14A | 110.2° | 110.7° |
| C14 | C15 | H15 | 109.8° | 111.1° |
| C14 | C15 | H15A | 109.8° | 111.0° |
| C16 | C15 | H15 | 109.8° | 111.2° |
| C16 | C15 | H15A | 109.8° | 110.9° |
| C15 | C16 | H16 | 110.5° | 110.5° |
| C15 | C16 | H16A | 110.5° | 110.4° |
| C18 | C19 | C20 | 113.0° | 109.5° |
| C18 | C19 | C21 | 111.2° | 109.5° |
| C19 | C18 | H18 | 108.7° | 109.5° |
| C19 | C18 | H18A | 108.7° | 109.5° |
| C18 | C19 | H19 | 107.1° | 109.5° |
| C20 | C19 | C21 | 110.8° | 109.4° |
| C20 | C19 | H19 | 107.2° | 109.4° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H20A | 109.4° | 109.5° |
| C19 | C20 | H20B | 109.5° | 109.4° |
| C21 | C19 | H19 | 107.2° | 109.4° |
| C19 | C21 | H21 | 109.5° | 109.5° |
| C19 | C21 | H21A | 109.5° | 109.5° |
| C19 | C21 | H21B | 109.4° | 109.5° |
| N25 | C24 | O33 | 121.6° | 119.9° |
| C24 | N25 | C26 | 124.2° | 120.1° |
| C24 | N25 | HN25 | 117.9° | 120.0° |
| N25 | C26 | C27 | 108.4° | 109.5° |
| C26 | N25 | HN25 | 117.9° | 119.9° |
| N25 | C26 | H26 | 109.7° | 109.5° |
| N25 | C26 | H26A | 109.7° | 109.4° |
| C26 | C27 | C28 | 120.5° | 119.8° |
| C26 | C27 | C32 | 120.5° | 119.9° |
| C27 | C26 | H26 | 109.8° | 109.5° |
| C27 | C26 | H26A | 109.7° | 109.5° |
| C28 | C27 | C32 | 119.1° | 120.3° |
| C27 | C28 | C29 | 120.8° | 120.1° |
| C27 | C28 | H28 | 119.6° | 120.0° |
| C27 | C32 | C31 | 120.0° | 120.1° |
| C27 | C32 | H32 | 120.0° | 119.9° |
| C28 | C29 | C30 | 120.2° | 119.9° |
| C29 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | H29 | 119.9° | 120.0° |
| C29 | C30 | C31 | 118.6° | 119.7° |
| C29 | C30 | C34 | 121.2° | 120.1° |
| C30 | C29 | H29 | 119.9° | 120.1° |
| C31 | C30 | C34 | 120.1° | 120.1° |
| C30 | C31 | C32 | 121.3° | 119.9° |
| C30 | C31 | H31 | 119.3° | 120.1° |
| C30 | C34 | N35 | 119.6° | 120.0° |
| C30 | C34 | N36 | 121.1° | 120.0° |
| C32 | C31 | H31 | 119.3° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| N35 | C34 | N36 | 119.4° | 120.0° |
| C34 | N35 | HN35 | 112.0° | 120.0° |
| C34 | N36 | HN36 | 120.0° | 120.0° |
| C34 | N36 | HN3A | 120.0° | 120.0° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.5° | 110.8° |
| H15 | C15 | H15A | 109.5° | 110.9° |
| H16 | C16 | H16A | 109.5° | 110.4° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.4° | 109.4° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| HN36 | N36 | HN3A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | C7 | 179.8° | 180.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.7° |
| C3 | C4 | C5 | C7 | 179.7° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C7 | S8 | 87.7° | 90.0° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.6° | 179.9° |
| C3 | C4 | C7 | H7 | 32.7° | 150.0° |
| C3 | C4 | C7 | H7A | 152.0° | 30.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C7 | S8 | 92.7° | 90.1° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C7 | H7 | 147.0° | 30.0° |
| C5 | C4 | C7 | H7A | 27.7° | 149.9° |
| C7 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | C7 | S8 | H7 | 120.3° | 120.0° |
| C4 | C7 | S8 | H7A | 120.3° | 120.0° |
| C4 | C7 | S8 | N9 | 170.8° | 174.1° |
| C4 | C7 | S8 | O22 | 68.3° | 74.3° |
| C4 | C7 | S8 | O23 | 54.6° | 62.5° |
| C7 | C4 | C3 | H3 | 0.1° | 0.0° |
| C7 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | C7 | H7 | H7A | 119.0° | 120.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C7 | S8 | N9 | O22 | 120.1° | 116.1° |
| C7 | S8 | N9 | O23 | 115.4° | 116.1° |
| C7 | S8 | O22 | O23 | 119.3° | 131.5° |
| C7 | S8 | N9 | C10 | 75.2° | 65.2° |
| S8 | C7 | H7 | H7A | 119.0° | 120.0° |
| C7 | S8 | N9 | HN9 | 46.9° | 114.9° |
| N9 | S8 | O22 | O23 | 121.6° | 116.8° |
| S8 | N9 | C10 | HN9 | 122.1° | 180.0° |
| S8 | N9 | C10 | C11 | 69.8° | 94.6° |
| S8 | N9 | C10 | C18 | 169.2° | 145.4° |
| N9 | S8 | C7 | H7 | 68.9° | 54.1° |
| N9 | S8 | C7 | H7A | 50.5° | 65.9° |
| S8 | N9 | C10 | H10 | 49.8° | 25.5° |
| O22 | S8 | N9 | C10 | 44.9° | 50.9° |
| O22 | S8 | C7 | H7 | 52.0° | 165.7° |
| O22 | S8 | C7 | H7A | 171.4° | 45.7° |
| O22 | S8 | N9 | HN9 | 167.1° | 129.1° |
| O23 | S8 | N9 | C10 | 169.3° | 178.8° |
| O23 | S8 | C7 | H7 | 174.9° | 57.6° |
| O23 | S8 | C7 | H7A | 65.7° | 177.5° |
| O23 | S8 | N9 | HN9 | 68.5° | 1.2° |
| N9 | C10 | C11 | C18 | 122.6° | 120.0° |
| N9 | C10 | C11 | H10 | 120.1° | 120.0° |
| N9 | C10 | C18 | H10 | 120.1° | 120.0° |
| N9 | C10 | C11 | N12 | 140.5° | 180.0° |
| N9 | C10 | C11 | O17 | 39.7° | 0.0° |
| N9 | C10 | C18 | C19 | 178.2° | 64.2° |
| N9 | C10 | C18 | H18 | 61.4° | 175.8° |
| N9 | C10 | C18 | H18A | 57.8° | 55.8° |
| C11 | C10 | C18 | H10 | 117.4° | 120.0° |
| C10 | C11 | N12 | O17 | 179.9° | 180.0° |
| C10 | C11 | N12 | C13 | 179.3° | 180.0° |
| C10 | C11 | N12 | C16 | 0.5° | 0.3° |
| C11 | C10 | C18 | C19 | 59.3° | 175.8° |
| C11 | C10 | N9 | HN9 | 52.3° | 85.4° |
| C11 | C10 | C18 | H18 | 61.1° | 55.8° |
| C11 | C10 | C18 | H18A | 179.7° | 64.2° |
| C18 | C10 | C11 | N12 | 96.9° | 60.0° |
| C18 | C10 | C11 | O17 | 83.0° | 120.0° |
| C10 | C18 | C19 | H18 | 120.4° | 120.0° |
| C10 | C18 | C19 | H18A | 120.4° | 119.9° |
| C10 | C18 | C19 | C20 | 156.4° | 66.0° |
| C10 | C18 | C19 | C21 | 78.3° | 174.0° |
| C18 | C10 | N9 | HN9 | 68.7° | 34.6° |
| C10 | C18 | H18 | H18A | 118.7° | 120.0° |
| C10 | C18 | C19 | H19 | 38.6° | 54.0° |
| C11 | N12 | C13 | C16 | 178.9° | 179.8° |
| C11 | N12 | C13 | C14 | 175.8° | 178.9° |
| C11 | N12 | C13 | C24 | 57.3° | 59.5° |
| C11 | N12 | C16 | C15 | 178.4° | 155.8° |
| N12 | C11 | C10 | H10 | 20.4° | 60.0° |
| C11 | N12 | C13 | H13 | 64.8° | 61.6° |
| C11 | N12 | C16 | H16 | 59.0° | 85.3° |
| C11 | N12 | C16 | H16A | 62.3° | 37.0° |
| O17 | C11 | N12 | C13 | 0.8° | 0.0° |
| O17 | C11 | N12 | C16 | 179.6° | 179.7° |
| O17 | C11 | C10 | H10 | 159.7° | 120.0° |
| N12 | C13 | C14 | C24 | 118.7° | 119.4° |
| N12 | C13 | C14 | H13 | 119.9° | 119.4° |
| N12 | C13 | C24 | H13 | 122.5° | 121.1° |
| N12 | C13 | C14 | C15 | 7.8° | 22.2° |
| C13 | N12 | C16 | C15 | 2.8° | 24.4° |
| N12 | C13 | C24 | N25 | 135.4° | 180.0° |
| N12 | C13 | C24 | O33 | 43.9° | 0.0° |
| N12 | C13 | C14 | H14 | 111.8° | 140.6° |
| N12 | C13 | C14 | H14A | 127.3° | 96.2° |
| C13 | N12 | C16 | H16 | 122.2° | 94.5° |
| C13 | N12 | C16 | H16A | 116.5° | 143.2° |
| C16 | N12 | C13 | C14 | 3.1° | 1.3° |
| C16 | N12 | C13 | C24 | 121.6° | 120.7° |
| N12 | C16 | C15 | C14 | 7.7° | 37.3° |
| N12 | C16 | C15 | H16 | 119.4° | 118.8° |
| N12 | C16 | C15 | H16A | 119.3° | 118.7° |
| C16 | N12 | C13 | H13 | 116.3° | 118.2° |
| N12 | C16 | C15 | H15 | 127.5° | 80.9° |
| N12 | C16 | C15 | H15A | 112.1° | 155.3° |
| N12 | C16 | H16 | H16A | 121.9° | 122.2° |
| C14 | C13 | C24 | H13 | 121.2° | 121.1° |
| C13 | C14 | C15 | H14 | 119.6° | 118.3° |
| C13 | C14 | C15 | H14A | 119.6° | 118.4° |
| C13 | C14 | C15 | C16 | 9.6° | 35.7° |
| C14 | C13 | C24 | N25 | 108.3° | 62.2° |
| C14 | C13 | C24 | O33 | 72.5° | 117.8° |
| C13 | C14 | H14 | H14A | 121.3° | 123.2° |
| C13 | C14 | C15 | H15 | 129.4° | 82.6° |
| C13 | C14 | C15 | H15A | 110.2° | 153.6° |
| C24 | C13 | C14 | C15 | 126.5° | 97.2° |
| C13 | C24 | N25 | O33 | 179.3° | 179.9° |
| C13 | C24 | N25 | C26 | 179.3° | 180.0° |
| C24 | C13 | C14 | H14 | 6.9° | 21.2° |
| C24 | C13 | C14 | H14A | 114.0° | 144.4° |
| C13 | C24 | N25 | HN25 | 0.7° | 0.1° |
| C14 | C15 | C16 | H15 | 119.8° | 118.2° |
| C14 | C15 | C16 | H15A | 119.8° | 118.0° |
| C15 | C14 | C13 | H13 | 112.2° | 141.6° |
| C15 | C14 | H14 | H14A | 121.3° | 123.2° |
| C14 | C15 | H15 | H15A | 120.6° | 123.9° |
| C14 | C15 | C16 | H16 | 127.0° | 81.5° |
| C14 | C15 | C16 | H16A | 111.7° | 156.1° |
| C16 | C15 | C14 | H14 | 110.0° | 154.0° |
| C16 | C15 | C14 | H14A | 129.2° | 82.7° |
| C16 | C15 | H15 | H15A | 120.6° | 123.8° |
| C15 | C16 | H16 | H16A | 121.9° | 122.4° |
| C18 | C19 | C20 | C21 | 125.5° | 120.0° |
| C18 | C19 | C20 | H19 | 117.8° | 120.1° |
| C18 | C19 | C21 | H19 | 116.8° | 120.1° |
| C19 | C18 | C10 | H10 | 58.1° | 55.8° |
| C19 | C18 | H18 | H18A | 118.7° | 120.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20A | 60.0° | 60.0° |
| C18 | C19 | C20 | H20B | 60.0° | 60.0° |
| C18 | C19 | C21 | H21 | 180.0° | 60.0° |
| C18 | C19 | C21 | H21A | 60.0° | 180.0° |
| C18 | C19 | C21 | H21B | 60.0° | 60.0° |
| C20 | C19 | C21 | H19 | 116.6° | 119.9° |
| C20 | C19 | C18 | H18 | 36.0° | 54.0° |
| C20 | C19 | C18 | H18A | 83.1° | 174.1° |
| C19 | C20 | H20 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20B | 120.0° | 120.0° |
| C19 | C20 | H20A | H20B | 120.0° | 119.9° |
| C20 | C19 | C21 | H21 | 53.4° | 180.0° |
| C20 | C19 | C21 | H21A | 66.6° | 60.0° |
| C20 | C19 | C21 | H21B | 173.4° | 60.0° |
| C21 | C19 | C18 | H18 | 161.3° | 66.0° |
| C21 | C19 | C18 | H18A | 42.2° | 54.1° |
| C21 | C19 | C20 | H20 | 54.4° | 59.9° |
| C21 | C19 | C20 | H20A | 174.5° | 180.0° |
| C21 | C19 | C20 | H20B | 65.5° | 60.0° |
| C19 | C21 | H21 | H21A | 120.0° | 120.1° |
| C19 | C21 | H21 | H21B | 120.0° | 120.0° |
| C19 | C21 | H21A | H21B | 120.0° | 120.0° |
| C24 | N25 | C26 | HN25 | 180.0° | 179.9° |
| C24 | N25 | C26 | C27 | 109.0° | 179.9° |
| N25 | C24 | C13 | H13 | 13.0° | 58.9° |
| C24 | N25 | C26 | H26 | 131.2° | 60.0° |
| C24 | N25 | C26 | H26A | 10.8° | 59.9° |
| O33 | C24 | N25 | C26 | 0.0° | 0.1° |
| O33 | C24 | C13 | H13 | 166.3° | 121.1° |
| O33 | C24 | N25 | HN25 | 180.0° | 180.0° |
| N25 | C26 | C27 | H26 | 119.8° | 120.0° |
| N25 | C26 | C27 | H26A | 119.8° | 120.0° |
| N25 | C26 | C27 | C28 | 101.6° | 90.0° |
| N25 | C26 | C27 | C32 | 78.5° | 90.2° |
| N25 | C26 | H26 | H26A | 120.5° | 119.9° |
| C26 | C27 | C28 | C32 | 179.9° | 179.8° |
| C26 | C27 | C28 | C29 | 179.6° | 180.0° |
| C26 | C27 | C32 | C31 | 179.5° | 179.7° |
| C27 | C26 | N25 | HN25 | 71.0° | 0.0° |
| C27 | C26 | H26 | H26A | 120.5° | 120.0° |
| C26 | C27 | C28 | H28 | 0.4° | 0.0° |
| C26 | C27 | C32 | H32 | 0.5° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.1° |
| C28 | C27 | C32 | C31 | 0.5° | 0.5° |
| C28 | C27 | C26 | H26 | 138.6° | 30.0° |
| C28 | C27 | C26 | H26A | 18.2° | 150.0° |
| C27 | C28 | C29 | H29 | 179.8° | 180.0° |
| C28 | C27 | C32 | H32 | 179.4° | 179.7° |
| C32 | C27 | C28 | C29 | 0.4° | 0.3° |
| C27 | C32 | C31 | C30 | 0.4° | 0.5° |
| C27 | C32 | C31 | H32 | 180.0° | 179.8° |
| C32 | C27 | C26 | H26 | 41.3° | 149.7° |
| C32 | C27 | C26 | H26A | 161.7° | 29.7° |
| C32 | C27 | C28 | H28 | 179.6° | 179.8° |
| C27 | C32 | C31 | H31 | 179.6° | 179.8° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.0° | 0.1° |
| C28 | C29 | C30 | C34 | 179.3° | 180.0° |
| C29 | C30 | C31 | C34 | 179.3° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.3° |
| C29 | C30 | C34 | N35 | 172.3° | 0.1° |
| C29 | C30 | C34 | N36 | 6.4° | 180.0° |
| C30 | C29 | C28 | H28 | 179.8° | 179.9° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.7° |
| C31 | C30 | C34 | N35 | 6.9° | 180.0° |
| C31 | C30 | C34 | N36 | 174.3° | 0.1° |
| C31 | C30 | C29 | H29 | 180.0° | 180.0° |
| C30 | C31 | C32 | H32 | 179.6° | 179.7° |
| C34 | C30 | C31 | C32 | 179.2° | 179.8° |
| C30 | C34 | N35 | N36 | 178.8° | 179.9° |
| C34 | C30 | C29 | H29 | 0.7° | 0.1° |
| C34 | C30 | C31 | H31 | 0.8° | 0.1° |
| C30 | C34 | N35 | HN35 | 178.8° | 180.0° |
| C30 | C34 | N36 | HN36 | 178.8° | 0.1° |
| C30 | C34 | N36 | HN3A | 1.2° | 180.0° |
| N35 | C34 | N36 | HN36 | 0.0° | 180.0° |
| N35 | C34 | N36 | HN3A | 180.0° | 0.1° |
| N36 | C34 | N35 | HN35 | 0.0° | 0.1° |
| C34 | N36 | HN36 | HN3A | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H1 | C1 | C6 | H6 | 0.2° | 0.2° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| HN9 | N9 | C10 | H10 | 171.9° | 154.6° |
| H10 | C10 | C18 | H18 | 178.5° | 64.2° |
| H10 | C10 | C18 | H18A | 62.3° | 175.8° |
| H13 | C13 | C14 | H14 | 128.2° | 100.0° |
| H13 | C13 | C14 | H14A | 7.4° | 23.2° |
| H14 | C14 | C15 | H15 | 9.9° | 35.7° |
| H14 | C14 | C15 | H15A | 130.3° | 88.1° |
| H14A | C14 | C15 | H15 | 111.0° | 159.0° |
| H14A | C14 | C15 | H15A | 9.4° | 35.2° |
| H15 | C15 | C16 | H16 | 113.1° | 160.3° |
| H15 | C15 | C16 | H16A | 8.2° | 37.9° |
| H15A | C15 | C16 | H16 | 7.2° | 36.5° |
| H15A | C15 | C16 | H16A | 128.5° | 86.0° |
| H18 | C18 | C19 | H19 | 81.9° | 174.0° |
| H18A | C18 | C19 | H19 | 159.0° | 65.9° |
| H19 | C19 | C20 | H20 | 62.2° | 60.0° |
| H19 | C19 | C20 | H20A | 57.8° | 60.1° |
| H19 | C19 | C20 | H20B | 177.8° | 180.0° |
| H19 | C19 | C21 | H21 | 63.2° | 60.1° |
| H19 | C19 | C21 | H21A | 176.8° | 59.9° |
| H19 | C19 | C21 | H21B | 56.8° | 180.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| HN25 | N25 | C26 | H26 | 48.8° | 120.1° |
| HN25 | N25 | C26 | H26A | 169.2° | 120.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.0° |
| H31 | C31 | C32 | H32 | 0.4° | 0.0° |
