IQ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| O30 | C29 | sing | 1.36Å | 1.36Å | |
| C32 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| S33 | C25 | doub | 1.71Å | 1.74Å | |
| C26 | C25 | sing | 1.47Å | 1.40Å | |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N24 | sing | 1.35Å | 1.34Å | |
| N24 | C23 | sing | 1.46Å | 1.47Å | |
| S34 | C21 | doub | 1.60Å | 1.76Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | N20 | sing | 1.35Å | 1.33Å | |
| N20 | C19 | sing | 1.46Å | 1.47Å | |
| S35 | C17 | doub | 1.60Å | 1.77Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | N16 | sing | 1.35Å | 1.34Å | |
| N16 | C15 | sing | 1.46Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.46Å | 1.47Å | |
| N12 | C11 | sing | 1.35Å | 1.34Å | |
| C9 | N8 | sing | 1.46Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | S36 | doub | 1.60Å | 1.75Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| N8 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C7 | S37 | doub | 1.60Å | 1.75Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| S38 | C3 | doub | 1.71Å | 1.76Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.40Å | |
| C3 | N4 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N4 | sing | 1.46Å | 1.47Å | |
| C41 | O42 | sing | 1.36Å | 1.36Å | |
| C41 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| N12 | H7 | sing | 0.97Å | 1.00Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C39 | H15 | sing | 1.08Å | 1.08Å | |
| C40 | H16 | sing | 1.08Å | 1.08Å | |
| O42 | H17 | sing | 0.97Å | 0.95Å | |
| C43 | H18 | sing | 1.08Å | 1.08Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| N8 | H21 | sing | 0.97Å | 1.00Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| N16 | H26 | sing | 0.97Å | 1.00Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| N24 | H34 | sing | 0.97Å | 1.00Å | |
| C32 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| O30 | H37 | sing | 0.97Å | 0.95Å | |
| C27 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C29 | 120.5° | 120.1° |
| C31 | C32 | C26 | 120.6° | 119.9° |
| C31 | C32 | H35 | 119.7° | 120.0° |
| C32 | C31 | H36 | 119.8° | 119.9° |
| C31 | C29 | O30 | 119.2° | 119.9° |
| C31 | C29 | C28 | 119.6° | 120.2° |
| C29 | C31 | H36 | 119.8° | 119.9° |
| O30 | C29 | C28 | 121.2° | 119.9° |
| C29 | O30 | H37 | 109.5° | 114.0° |
| C32 | C26 | C25 | 121.2° | 120.1° |
| C32 | C26 | C27 | 118.5° | 119.8° |
| C26 | C32 | H35 | 119.7° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.1° |
| C29 | C28 | H14 | 120.1° | 119.9° |
| S33 | C25 | C26 | 118.6° | 120.0° |
| S33 | C25 | N24 | 124.2° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.1° |
| C26 | C25 | N24 | 117.2° | 120.0° |
| C26 | C27 | C28 | 121.0° | 119.9° |
| C26 | C27 | H38 | 119.5° | 120.0° |
| C27 | C28 | H14 | 120.0° | 120.0° |
| C28 | C27 | H38 | 119.5° | 120.1° |
| C25 | N24 | C23 | 123.5° | 120.0° |
| C25 | N24 | H34 | 118.3° | 120.0° |
| N24 | C23 | C22 | 109.8° | 109.5° |
| N24 | C23 | H32 | 109.4° | 109.5° |
| N24 | C23 | H33 | 109.4° | 109.4° |
| C23 | N24 | H34 | 118.2° | 120.0° |
| S34 | C21 | C22 | 118.4° | 120.0° |
| S34 | C21 | N20 | 124.5° | 120.0° |
| C23 | C22 | C21 | 112.0° | 109.5° |
| C23 | C22 | H12 | 108.8° | 109.5° |
| C23 | C22 | H13 | 108.8° | 109.5° |
| C22 | C23 | H32 | 109.4° | 109.5° |
| C22 | C23 | H33 | 109.4° | 109.5° |
| C22 | C21 | N20 | 117.0° | 120.0° |
| C21 | C22 | H12 | 108.8° | 109.4° |
| C21 | C22 | H13 | 108.8° | 109.5° |
| C21 | N20 | C19 | 119.7° | 120.0° |
| C21 | N20 | H31 | 120.1° | 120.0° |
| N20 | C19 | C18 | 110.2° | 109.5° |
| N20 | C19 | H29 | 109.3° | 109.4° |
| N20 | C19 | H30 | 109.3° | 109.5° |
| C19 | N20 | H31 | 120.2° | 120.0° |
| S35 | C17 | C18 | 119.5° | 120.0° |
| S35 | C17 | N16 | 125.6° | 120.0° |
| C19 | C18 | C17 | 113.5° | 109.5° |
| C19 | C18 | H27 | 108.5° | 109.5° |
| C19 | C18 | H28 | 108.4° | 109.5° |
| C18 | C19 | H29 | 109.3° | 109.5° |
| C18 | C19 | H30 | 109.3° | 109.5° |
| C18 | C17 | N16 | 114.8° | 120.0° |
| C17 | C18 | H27 | 108.5° | 109.5° |
| C17 | C18 | H28 | 108.5° | 109.4° |
| C17 | N16 | C15 | 123.5° | 120.0° |
| C17 | N16 | H26 | 118.2° | 119.9° |
| N16 | C15 | C14 | 108.6° | 109.5° |
| N16 | C15 | H10 | 109.7° | 109.5° |
| N16 | C15 | H11 | 109.7° | 109.4° |
| C15 | N16 | H26 | 118.3° | 120.0° |
| C15 | C14 | C13 | 109.3° | 109.5° |
| C14 | C15 | H10 | 109.7° | 109.5° |
| C14 | C15 | H11 | 109.7° | 109.5° |
| C15 | C14 | H24 | 109.5° | 109.5° |
| C15 | C14 | H25 | 109.5° | 109.5° |
| C14 | C13 | N12 | 110.0° | 109.5° |
| C14 | C13 | H8 | 109.3° | 109.4° |
| C14 | C13 | H9 | 109.3° | 109.5° |
| C13 | C14 | H24 | 109.5° | 109.4° |
| C13 | C14 | H25 | 109.5° | 109.5° |
| C13 | N12 | C11 | 122.5° | 119.9° |
| C13 | N12 | H7 | 118.8° | 120.1° |
| N12 | C13 | H8 | 109.4° | 109.5° |
| N12 | C13 | H9 | 109.4° | 109.5° |
| N12 | C11 | S36 | 126.6° | 120.1° |
| N12 | C11 | C10 | 116.6° | 120.0° |
| C11 | N12 | H7 | 118.7° | 120.0° |
| N8 | C9 | C10 | 111.1° | 109.5° |
| C9 | N8 | C7 | 122.1° | 120.0° |
| C9 | N8 | H21 | 119.0° | 120.0° |
| N8 | C9 | H22 | 109.1° | 109.5° |
| N8 | C9 | H23 | 109.1° | 109.4° |
| C9 | C10 | C11 | 107.5° | 109.5° |
| C9 | C10 | H5 | 110.0° | 109.5° |
| C9 | C10 | H6 | 110.0° | 109.5° |
| C10 | C9 | H22 | 109.1° | 109.5° |
| C10 | C9 | H23 | 109.1° | 109.4° |
| S36 | C11 | C10 | 116.8° | 120.0° |
| C11 | C10 | H5 | 110.0° | 109.4° |
| C11 | C10 | H6 | 109.9° | 109.5° |
| N8 | C7 | C6 | 117.0° | 120.0° |
| N8 | C7 | S37 | 125.2° | 120.0° |
| C7 | N8 | H21 | 118.9° | 119.9° |
| C6 | C7 | S37 | 117.8° | 120.0° |
| C7 | C6 | C5 | 109.5° | 109.5° |
| C7 | C6 | H3 | 109.5° | 109.5° |
| C7 | C6 | H4 | 109.5° | 109.5° |
| C6 | C5 | N4 | 112.1° | 109.4° |
| C6 | C5 | H1 | 108.8° | 109.5° |
| C6 | C5 | H2 | 108.8° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| S38 | C3 | C2 | 117.5° | 120.0° |
| S38 | C3 | N4 | 125.6° | 120.0° |
| C40 | C39 | C2 | 120.3° | 119.9° |
| C39 | C40 | C41 | 120.2° | 120.1° |
| C40 | C39 | H15 | 119.8° | 120.1° |
| C39 | C40 | H16 | 119.9° | 120.0° |
| C39 | C2 | C3 | 122.2° | 120.1° |
| C39 | C2 | C1 | 118.9° | 119.8° |
| C2 | C39 | H15 | 119.8° | 120.0° |
| C40 | C41 | O42 | 120.6° | 119.9° |
| C40 | C41 | C43 | 119.7° | 120.2° |
| C41 | C40 | H16 | 119.9° | 119.9° |
| C2 | C3 | N4 | 116.9° | 120.0° |
| C3 | C2 | C1 | 118.8° | 120.1° |
| C3 | N4 | C5 | 123.2° | 120.0° |
| C3 | N4 | H20 | 118.4° | 119.9° |
| C2 | C1 | C43 | 120.8° | 119.9° |
| C2 | C1 | H19 | 119.6° | 120.1° |
| N4 | C5 | H1 | 108.8° | 109.4° |
| N4 | C5 | H2 | 108.8° | 109.5° |
| C5 | N4 | H20 | 118.4° | 120.1° |
| O42 | C41 | C43 | 119.7° | 119.9° |
| C41 | O42 | H17 | 109.5° | 114.0° |
| C41 | C43 | C1 | 119.9° | 120.1° |
| C41 | C43 | H18 | 120.0° | 119.9° |
| C1 | C43 | H18 | 120.0° | 120.0° |
| C43 | C1 | H19 | 119.6° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.4° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.4° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C29 | H36 | 180.0° | 180.0° |
| C32 | C31 | C29 | O30 | 180.0° | 180.0° |
| C31 | C32 | C26 | H35 | 180.0° | 180.0° |
| C32 | C31 | C29 | C28 | 0.2° | 0.0° |
| C31 | C32 | C26 | C25 | 179.7° | 180.0° |
| C31 | C32 | C26 | C27 | 0.4° | 0.3° |
| C31 | C29 | O30 | C28 | 179.8° | 180.0° |
| C29 | C31 | C32 | C26 | 0.1° | 0.0° |
| C31 | C29 | C28 | C27 | 0.1° | 0.3° |
| C31 | C29 | C28 | H14 | 179.9° | 179.7° |
| C29 | C31 | C32 | H35 | 179.9° | 180.0° |
| C31 | C29 | O30 | H37 | 180.0° | 90.0° |
| O30 | C29 | C28 | C27 | 180.0° | 179.7° |
| O30 | C29 | C28 | H14 | 0.1° | 0.3° |
| O30 | C29 | C31 | H36 | 0.0° | 0.0° |
| C32 | C26 | C25 | S33 | 23.3° | 144.7° |
| C32 | C26 | C25 | C27 | 179.3° | 179.6° |
| C32 | C26 | C27 | C28 | 0.4° | 0.6° |
| C32 | C26 | C25 | N24 | 157.7° | 35.3° |
| C26 | C32 | C31 | H36 | 179.9° | 180.0° |
| C32 | C26 | C27 | H38 | 179.6° | 179.7° |
| C29 | C28 | C27 | C26 | 0.2° | 0.6° |
| C29 | C28 | C27 | H14 | 180.0° | 179.5° |
| C28 | C29 | C31 | H36 | 179.8° | 180.0° |
| C28 | C29 | O30 | H37 | 0.2° | 90.0° |
| C29 | C28 | C27 | H38 | 179.9° | 179.7° |
| S33 | C25 | C26 | N24 | 179.0° | 180.0° |
| S33 | C25 | C26 | C27 | 156.0° | 35.0° |
| S33 | C25 | N24 | C23 | 1.2° | 0.0° |
| S33 | C25 | N24 | H34 | 178.7° | 180.0° |
| C25 | C26 | C27 | C28 | 179.7° | 179.7° |
| C26 | C25 | N24 | C23 | 177.7° | 180.0° |
| C26 | C25 | N24 | H34 | 2.3° | 0.0° |
| C25 | C26 | C32 | H35 | 0.4° | 0.1° |
| C25 | C26 | C27 | H38 | 0.3° | 0.0° |
| C26 | C27 | C28 | H38 | 180.0° | 179.7° |
| C27 | C26 | C25 | N24 | 23.0° | 145.0° |
| C26 | C27 | C28 | H14 | 179.8° | 180.0° |
| C27 | C26 | C32 | H35 | 179.6° | 179.7° |
| C25 | N24 | C23 | H34 | 180.0° | 180.0° |
| C25 | N24 | C23 | C22 | 75.2° | 180.0° |
| C25 | N24 | C23 | H32 | 44.9° | 60.0° |
| C25 | N24 | C23 | H33 | 164.7° | 60.0° |
| N24 | C23 | C22 | H32 | 120.1° | 120.0° |
| N24 | C23 | C22 | H33 | 120.1° | 120.0° |
| N24 | C23 | C22 | C21 | 66.8° | 180.0° |
| N24 | C23 | C22 | H12 | 53.6° | 60.0° |
| N24 | C23 | C22 | H13 | 172.8° | 60.0° |
| N24 | C23 | H32 | H33 | 119.8° | 120.0° |
| S34 | C21 | C22 | C23 | 84.9° | 0.0° |
| S34 | C21 | C22 | N20 | 177.8° | 179.9° |
| S34 | C21 | N20 | C19 | 1.0° | 0.1° |
| S34 | C21 | C22 | H12 | 35.4° | 120.0° |
| S34 | C21 | C22 | H13 | 154.7° | 120.0° |
| S34 | C21 | N20 | H31 | 179.0° | 180.0° |
| C23 | C22 | C21 | H12 | 120.4° | 120.0° |
| C23 | C22 | C21 | H13 | 120.4° | 120.1° |
| C23 | C22 | C21 | N20 | 97.3° | 180.0° |
| C23 | C22 | H12 | H13 | 118.8° | 120.0° |
| C22 | C23 | H32 | H33 | 119.8° | 120.0° |
| C22 | C23 | N24 | H34 | 104.8° | 0.0° |
| C22 | C21 | N20 | C19 | 178.7° | 180.0° |
| C21 | C22 | H12 | H13 | 118.9° | 120.0° |
| C22 | C21 | N20 | H31 | 1.4° | 0.1° |
| C21 | C22 | C23 | H32 | 173.1° | 60.0° |
| C21 | C22 | C23 | H33 | 53.3° | 60.0° |
| C21 | N20 | C19 | H31 | 180.0° | 179.9° |
| C21 | N20 | C19 | C18 | 176.8° | 180.0° |
| N20 | C21 | C22 | H12 | 142.4° | 60.1° |
| N20 | C21 | C22 | H13 | 23.1° | 59.9° |
| C21 | N20 | C19 | H29 | 56.7° | 60.1° |
| C21 | N20 | C19 | H30 | 63.1° | 59.9° |
| N20 | C19 | C18 | H29 | 120.1° | 119.9° |
| N20 | C19 | C18 | H30 | 120.1° | 120.0° |
| N20 | C19 | C18 | C17 | 79.3° | 180.0° |
| N20 | C19 | C18 | H27 | 41.3° | 60.0° |
| N20 | C19 | C18 | H28 | 160.0° | 60.0° |
| N20 | C19 | H29 | H30 | 119.7° | 120.0° |
| S35 | C17 | C18 | C19 | 0.3° | 0.0° |
| S35 | C17 | C18 | N16 | 179.5° | 180.0° |
| S35 | C17 | N16 | C15 | 2.3° | 0.0° |
| S35 | C17 | N16 | H26 | 177.6° | 180.0° |
| S35 | C17 | C18 | H27 | 120.3° | 120.0° |
| S35 | C17 | C18 | H28 | 120.9° | 120.0° |
| C19 | C18 | C17 | H27 | 120.6° | 120.0° |
| C19 | C18 | C17 | H28 | 120.6° | 120.0° |
| C19 | C18 | C17 | N16 | 179.8° | 180.0° |
| C19 | C18 | H27 | H28 | 118.1° | 120.0° |
| C18 | C19 | H29 | H30 | 119.7° | 120.0° |
| C18 | C19 | N20 | H31 | 3.1° | 0.0° |
| C18 | C17 | N16 | C15 | 178.2° | 180.0° |
| C18 | C17 | N16 | H26 | 1.8° | 0.0° |
| C17 | C18 | H27 | H28 | 118.2° | 120.0° |
| C17 | C18 | C19 | H29 | 160.5° | 60.0° |
| C17 | C18 | C19 | H30 | 40.7° | 60.0° |
| C17 | N16 | C15 | H26 | 180.0° | 180.0° |
| C17 | N16 | C15 | C14 | 100.0° | 180.0° |
| C17 | N16 | C15 | H10 | 19.8° | 60.0° |
| C17 | N16 | C15 | H11 | 140.1° | 60.0° |
| N16 | C17 | C18 | H27 | 59.1° | 60.0° |
| N16 | C17 | C18 | H28 | 59.6° | 60.0° |
| N16 | C15 | C14 | H10 | 119.9° | 120.0° |
| N16 | C15 | C14 | H11 | 119.9° | 119.9° |
| N16 | C15 | C14 | C13 | 53.0° | 180.0° |
| N16 | C15 | H10 | H11 | 120.4° | 120.0° |
| N16 | C15 | C14 | H24 | 66.9° | 60.0° |
| N16 | C15 | C14 | H25 | 173.0° | 60.0° |
| C15 | C14 | C13 | H24 | 120.0° | 120.0° |
| C15 | C14 | C13 | H25 | 120.0° | 120.1° |
| C15 | C14 | C13 | N12 | 159.8° | 180.0° |
| C15 | C14 | C13 | H8 | 39.7° | 60.0° |
| C15 | C14 | C13 | H9 | 80.1° | 59.9° |
| C14 | C15 | H10 | H11 | 120.4° | 120.0° |
| C15 | C14 | H24 | H25 | 120.1° | 120.0° |
| C14 | C15 | N16 | H26 | 80.0° | 0.0° |
| C14 | C13 | N12 | H8 | 120.1° | 120.0° |
| C14 | C13 | N12 | H9 | 120.1° | 120.0° |
| C14 | C13 | N12 | C11 | 84.7° | 179.9° |
| C14 | C13 | N12 | H7 | 95.2° | 0.0° |
| C14 | C13 | H8 | H9 | 119.7° | 120.0° |
| C13 | C14 | C15 | H10 | 172.9° | 60.0° |
| C13 | C14 | C15 | H11 | 66.8° | 60.0° |
| C13 | C14 | H24 | H25 | 120.1° | 120.0° |
| C13 | N12 | C11 | H7 | 180.0° | 179.9° |
| C13 | N12 | C11 | S36 | 1.4° | 0.0° |
| C13 | N12 | C11 | C10 | 179.7° | 180.0° |
| N12 | C13 | H8 | H9 | 119.8° | 120.0° |
| N12 | C13 | C14 | H24 | 80.2° | 60.0° |
| N12 | C13 | C14 | H25 | 39.8° | 59.9° |
| N12 | C11 | C10 | C9 | 99.0° | 179.9° |
| N12 | C11 | S36 | C10 | 178.3° | 180.0° |
| N12 | C11 | C10 | H5 | 20.7° | 60.0° |
| N12 | C11 | C10 | H6 | 141.3° | 60.0° |
| C11 | N12 | C13 | H8 | 35.4° | 60.0° |
| C11 | N12 | C13 | H9 | 155.2° | 60.0° |
| N8 | C9 | C10 | H22 | 120.2° | 120.1° |
| N8 | C9 | C10 | H23 | 120.2° | 120.0° |
| N8 | C9 | C10 | C11 | 154.9° | 180.0° |
| C9 | N8 | C7 | H21 | 180.0° | 179.9° |
| C9 | N8 | C7 | C6 | 178.1° | 180.0° |
| C9 | N8 | C7 | S37 | 2.4° | 0.1° |
| N8 | C9 | C10 | H5 | 35.3° | 60.1° |
| N8 | C9 | C10 | H6 | 85.4° | 59.9° |
| N8 | C9 | H22 | H23 | 119.3° | 120.0° |
| C9 | C10 | C11 | S36 | 79.4° | 0.0° |
| C9 | C10 | C11 | H5 | 119.7° | 120.0° |
| C9 | C10 | C11 | H6 | 119.7° | 120.0° |
| C10 | C9 | N8 | C7 | 114.7° | 180.0° |
| C9 | C10 | H5 | H6 | 121.0° | 120.0° |
| C10 | C9 | N8 | H21 | 65.3° | 0.1° |
| C10 | C9 | H22 | H23 | 119.3° | 119.9° |
| S36 | C11 | C10 | H5 | 160.9° | 120.0° |
| S36 | C11 | C10 | H6 | 40.3° | 120.0° |
| S36 | C11 | N12 | H7 | 178.5° | 180.0° |
| C11 | C10 | H5 | H6 | 120.9° | 120.0° |
| C10 | C11 | N12 | H7 | 0.2° | 0.1° |
| C11 | C10 | C9 | H22 | 84.8° | 59.9° |
| C11 | C10 | C9 | H23 | 34.7° | 60.0° |
| N8 | C7 | C6 | S37 | 179.6° | 180.0° |
| N8 | C7 | C6 | C5 | 138.5° | 180.0° |
| N8 | C7 | C6 | H3 | 18.5° | 60.0° |
| N8 | C7 | C6 | H4 | 101.5° | 60.0° |
| C7 | N8 | C9 | H22 | 5.6° | 59.9° |
| C7 | N8 | C9 | H23 | 125.1° | 60.1° |
| C7 | C6 | C5 | H3 | 120.0° | 120.0° |
| C7 | C6 | C5 | H4 | 120.0° | 120.0° |
| C7 | C6 | C5 | N4 | 179.4° | 180.0° |
| C7 | C6 | C5 | H1 | 59.0° | 60.1° |
| C7 | C6 | C5 | H2 | 60.2° | 60.0° |
| C7 | C6 | H3 | H4 | 120.0° | 120.0° |
| C6 | C7 | N8 | H21 | 1.9° | 0.0° |
| S37 | C7 | C6 | C5 | 41.1° | 0.0° |
| S37 | C7 | C6 | H3 | 161.1° | 120.0° |
| S37 | C7 | C6 | H4 | 78.9° | 120.0° |
| S37 | C7 | N8 | H21 | 177.6° | 180.0° |
| C6 | C5 | N4 | C3 | 78.4° | 180.0° |
| C6 | C5 | N4 | H1 | 120.4° | 120.0° |
| C6 | C5 | N4 | H2 | 120.4° | 120.0° |
| C6 | C5 | H1 | H2 | 118.8° | 120.0° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C6 | C5 | N4 | H20 | 101.6° | 0.0° |
| S38 | C3 | C2 | C39 | 38.4° | 35.0° |
| S38 | C3 | C2 | N4 | 178.2° | 180.0° |
| S38 | C3 | C2 | C1 | 140.3° | 145.1° |
| S38 | C3 | N4 | C5 | 2.4° | 0.0° |
| S38 | C3 | N4 | H20 | 177.6° | 180.0° |
| C40 | C39 | C2 | H15 | 180.0° | 179.7° |
| C39 | C40 | C41 | H16 | 180.0° | 179.9° |
| C40 | C39 | C2 | C3 | 179.5° | 180.0° |
| C40 | C39 | C2 | C1 | 0.8° | 0.0° |
| C39 | C40 | C41 | O42 | 180.0° | 180.0° |
| C39 | C40 | C41 | C43 | 0.1° | 0.0° |
| C2 | C39 | C40 | C41 | 0.3° | 0.0° |
| C39 | C2 | C3 | C1 | 178.7° | 179.9° |
| C39 | C2 | C3 | N4 | 143.4° | 145.0° |
| C39 | C2 | C1 | C43 | 0.9° | 0.1° |
| C2 | C39 | C40 | H16 | 179.8° | 180.0° |
| C39 | C2 | C1 | H19 | 179.1° | 180.0° |
| C40 | C41 | O42 | C43 | 179.9° | 179.9° |
| C40 | C41 | C43 | C1 | 0.0° | 0.0° |
| C41 | C40 | C39 | H15 | 179.7° | 179.7° |
| C40 | C41 | O42 | H17 | 180.0° | 90.1° |
| C40 | C41 | C43 | H18 | 180.0° | 180.0° |
| C2 | C3 | N4 | C5 | 175.7° | 180.0° |
| C3 | C2 | C1 | C43 | 179.6° | 180.0° |
| C3 | C2 | C39 | H15 | 0.5° | 0.2° |
| C3 | C2 | C1 | H19 | 0.4° | 0.0° |
| C2 | C3 | N4 | H20 | 4.3° | 0.0° |
| N4 | C3 | C2 | C1 | 37.9° | 35.0° |
| C3 | N4 | C5 | H20 | 180.0° | 180.0° |
| C3 | N4 | C5 | H1 | 42.0° | 60.0° |
| C3 | N4 | C5 | H2 | 161.2° | 60.1° |
| C2 | C1 | C43 | C41 | 0.5° | 0.1° |
| C2 | C1 | C43 | H19 | 180.0° | 180.0° |
| C1 | C2 | C39 | H15 | 179.2° | 179.7° |
| C2 | C1 | C43 | H18 | 179.5° | 180.0° |
| N4 | C5 | H1 | H2 | 118.8° | 120.0° |
| N4 | C5 | C6 | H3 | 60.6° | 60.0° |
| N4 | C5 | C6 | H4 | 59.4° | 60.0° |
| O42 | C41 | C43 | C1 | 179.9° | 180.0° |
| O42 | C41 | C40 | H16 | 0.0° | 0.1° |
| O42 | C41 | C43 | H18 | 0.1° | 0.0° |
| C41 | C43 | C1 | H18 | 180.0° | 180.0° |
| C43 | C41 | C40 | H16 | 179.8° | 180.0° |
| C43 | C41 | O42 | H17 | 0.2° | 90.0° |
| C41 | C43 | C1 | H19 | 179.5° | 180.0° |
| H1 | C5 | C6 | H3 | 179.0° | 60.0° |
| H1 | C5 | C6 | H4 | 61.0° | 179.9° |
| H1 | C5 | N4 | H20 | 138.0° | 119.9° |
| H2 | C5 | C6 | H3 | 59.8° | 180.0° |
| H2 | C5 | C6 | H4 | 179.8° | 60.0° |
| H2 | C5 | N4 | H20 | 18.8° | 120.0° |
| H5 | C10 | C9 | H22 | 155.5° | 60.0° |
| H5 | C10 | C9 | H23 | 85.0° | 180.0° |
| H6 | C10 | C9 | H22 | 34.8° | 180.0° |
| H6 | C10 | C9 | H23 | 154.4° | 60.0° |
| H7 | N12 | C13 | H8 | 144.6° | 120.0° |
| H7 | N12 | C13 | H9 | 24.8° | 120.1° |
| H8 | C13 | C14 | H24 | 159.7° | 180.0° |
| H8 | C13 | C14 | H25 | 80.3° | 60.1° |
| H9 | C13 | C14 | H24 | 39.9° | 60.0° |
| H9 | C13 | C14 | H25 | 159.9° | 180.0° |
| H10 | C15 | C14 | H24 | 52.9° | 180.0° |
| H10 | C15 | C14 | H25 | 67.1° | 60.0° |
| H10 | C15 | N16 | H26 | 160.2° | 120.0° |
| H11 | C15 | C14 | H24 | 173.2° | 59.9° |
| H11 | C15 | C14 | H25 | 53.2° | 179.9° |
| H11 | C15 | N16 | H26 | 39.9° | 120.0° |
| H12 | C22 | C23 | H32 | 66.5° | 180.0° |
| H12 | C22 | C23 | H33 | 173.7° | 60.0° |
| H13 | C22 | C23 | H32 | 52.7° | 60.0° |
| H13 | C22 | C23 | H33 | 67.1° | 180.0° |
| H14 | C28 | C27 | H38 | 0.2° | 0.3° |
| H15 | C39 | C40 | H16 | 0.3° | 0.2° |
| H18 | C43 | C1 | H19 | 0.5° | 0.0° |
| H21 | N8 | C9 | H22 | 174.4° | 120.0° |
| H21 | N8 | C9 | H23 | 54.9° | 120.0° |
| H27 | C18 | C19 | H29 | 78.8° | 180.0° |
| H27 | C18 | C19 | H30 | 161.4° | 60.0° |
| H28 | C18 | C19 | H29 | 39.9° | 60.0° |
| H28 | C18 | C19 | H30 | 79.9° | 180.0° |
| H29 | C19 | N20 | H31 | 123.2° | 120.0° |
| H30 | C19 | N20 | H31 | 117.0° | 120.0° |
| H32 | C23 | N24 | H34 | 135.1° | 120.0° |
| H33 | C23 | N24 | H34 | 15.2° | 120.0° |
| H35 | C32 | C31 | H36 | 0.1° | 0.0° |
