3TQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | N28 | doub | 1.32Å | 1.32Å | Aromatic |
| C27 | C26 | sing | 1.37Å | 1.37Å | Aromatic |
| N28 | C29 | sing | 1.32Å | 1.32Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.46Å | 1.46Å | Aromatic |
| C30 | O31 | sing | 1.34Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.36Å | Aromatic |
| O31 | C23 | sing | 1.35Å | 1.34Å | Aromatic |
| C23 | C21 | sing | 1.47Å | 1.46Å | |
| C21 | N20 | sing | 1.35Å | 1.35Å | |
| C21 | O22 | doub | 1.22Å | 1.22Å | |
| N20 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | S11 | sing | 1.76Å | 1.77Å | |
| S11 | O12 | doub | 1.42Å | 1.42Å | |
| S11 | C8 | sing | 1.81Å | 1.81Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C6 | N5 | sing | 1.47Å | 1.47Å | |
| C10 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| N20 | H29 | sing | 0.97Å | 1.00Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N28 | C27 | C26 | 121.2° | 121.2° |
| C27 | N28 | C29 | 122.4° | 122.7° |
| N28 | C27 | H30 | 119.4° | 119.4° |
| C27 | C26 | C25 | 118.8° | 118.7° |
| C27 | C26 | H13 | 120.6° | 120.7° |
| C26 | C27 | H30 | 119.4° | 119.4° |
| N28 | C29 | C30 | 120.3° | 120.3° |
| N28 | C29 | H31 | 119.8° | 119.8° |
| C26 | C25 | C30 | 118.6° | 118.8° |
| C26 | C25 | C24 | 135.7° | 135.5° |
| C25 | C26 | H13 | 120.6° | 120.7° |
| C29 | C30 | C25 | 118.6° | 118.3° |
| C29 | C30 | O31 | 133.8° | 134.2° |
| C30 | C29 | H31 | 119.8° | 119.8° |
| C30 | C25 | C24 | 105.7° | 105.7° |
| C25 | C30 | O31 | 107.5° | 107.5° |
| C25 | C24 | C23 | 105.7° | 106.1° |
| C25 | C24 | H12 | 127.1° | 126.9° |
| C30 | O31 | C23 | 110.7° | 110.9° |
| C24 | C23 | O31 | 110.3° | 109.8° |
| C24 | C23 | C21 | 125.8° | 125.1° |
| C23 | C24 | H12 | 127.1° | 127.0° |
| O31 | C23 | C21 | 123.9° | 125.1° |
| C23 | C21 | N20 | 119.0° | 120.0° |
| C23 | C21 | O22 | 119.4° | 120.0° |
| N20 | C21 | O22 | 121.6° | 120.0° |
| C21 | N20 | C19 | 122.3° | 120.0° |
| C21 | N20 | H29 | 118.9° | 120.0° |
| N20 | C19 | C16 | 113.9° | 109.5° |
| N20 | C19 | H27 | 108.4° | 109.5° |
| N20 | C19 | H28 | 108.3° | 109.4° |
| C19 | N20 | H29 | 118.8° | 120.0° |
| C19 | C16 | C17 | 119.8° | 120.0° |
| C19 | C16 | C15 | 121.4° | 119.9° |
| C16 | C19 | H27 | 108.4° | 109.5° |
| C16 | C19 | H28 | 108.4° | 109.4° |
| C16 | C17 | C18 | 120.7° | 120.0° |
| C17 | C16 | C15 | 118.9° | 120.0° |
| C16 | C17 | H11 | 119.7° | 120.0° |
| C17 | C18 | C13 | 120.7° | 120.0° |
| C18 | C17 | H11 | 119.7° | 120.0° |
| C17 | C18 | H26 | 119.7° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H10 | 119.9° | 120.1° |
| C18 | C13 | C14 | 119.1° | 120.0° |
| C18 | C13 | S11 | 118.9° | 120.0° |
| C13 | C18 | H26 | 119.7° | 119.9° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C14 | C15 | H10 | 119.9° | 120.0° |
| C15 | C14 | H25 | 119.7° | 120.0° |
| C14 | C13 | S11 | 122.0° | 120.0° |
| C13 | C14 | H25 | 119.8° | 120.1° |
| C13 | S11 | O12 | 105.0° | 103.0° |
| C13 | S11 | C8 | 102.7° | 103.0° |
| O12 | S11 | C8 | 108.5° | 109.5° |
| S11 | C8 | C7 | 109.8° | 109.5° |
| S11 | C8 | C9 | 108.7° | 109.5° |
| S11 | C8 | H7 | 107.8° | 109.6° |
| C7 | C8 | C9 | 107.9° | 109.2° |
| C8 | C7 | C6 | 108.8° | 109.3° |
| C8 | C7 | H5 | 109.6° | 109.5° |
| C8 | C7 | H6 | 109.7° | 109.6° |
| C7 | C8 | H7 | 111.3° | 109.5° |
| C8 | C9 | C10 | 108.8° | 109.3° |
| C9 | C8 | H7 | 111.3° | 109.5° |
| C8 | C9 | H22 | 109.6° | 109.5° |
| C8 | C9 | H23 | 109.6° | 109.5° |
| C7 | C6 | N5 | 111.2° | 109.5° |
| C7 | C6 | H3 | 109.0° | 109.5° |
| C7 | C6 | H4 | 109.1° | 109.5° |
| C6 | C7 | H5 | 109.7° | 109.5° |
| C6 | C7 | H6 | 109.6° | 109.5° |
| C9 | C10 | N5 | 110.0° | 109.5° |
| C9 | C10 | H8 | 109.4° | 109.5° |
| C9 | C10 | H9 | 109.4° | 109.4° |
| C10 | C9 | H22 | 109.6° | 109.5° |
| C10 | C9 | H23 | 109.6° | 109.5° |
| C6 | N5 | C10 | 110.6° | 111.2° |
| C6 | N5 | C4 | 106.4° | 111.0° |
| N5 | C6 | H3 | 109.0° | 109.4° |
| N5 | C6 | H4 | 109.0° | 109.4° |
| C10 | N5 | C4 | 113.0° | 111.0° |
| N5 | C10 | H8 | 109.3° | 109.5° |
| N5 | C10 | H9 | 109.3° | 109.5° |
| N5 | C4 | C2 | 115.8° | 109.5° |
| N5 | C4 | H1 | 107.9° | 109.5° |
| N5 | C4 | H2 | 107.9° | 109.5° |
| C4 | C2 | C1 | 111.0° | 109.5° |
| C4 | C2 | C3 | 108.2° | 109.5° |
| C2 | C4 | H1 | 107.9° | 109.5° |
| C2 | C4 | H2 | 107.9° | 109.4° |
| C4 | C2 | H17 | 109.7° | 109.5° |
| C1 | C2 | C3 | 108.3° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 109.8° | 109.5° |
| C3 | C2 | H17 | 109.8° | 109.4° |
| C2 | C3 | H18 | 109.5° | 109.4° |
| C2 | C3 | H19 | 109.4° | 109.5° |
| C2 | C3 | H20 | 109.4° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.4° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H18 | C3 | H20 | 109.5° | 109.4° |
| H19 | C3 | H20 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C27 | C26 | H30 | 180.0° | 180.0° |
| N28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C27 | N28 | C29 | C30 | 0.1° | 0.1° |
| N28 | C27 | C26 | H13 | 179.6° | 180.0° |
| C27 | N28 | C29 | H31 | 179.8° | 180.0° |
| C26 | C27 | N28 | C29 | 0.4° | 0.1° |
| C27 | C26 | C25 | H13 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.2° | 0.1° |
| C27 | C26 | C25 | C24 | 179.1° | 180.0° |
| N28 | C29 | C30 | H31 | 180.0° | 179.9° |
| N28 | C29 | C30 | C25 | 0.7° | 0.0° |
| N28 | C29 | C30 | O31 | 179.9° | 179.6° |
| C29 | N28 | C27 | H30 | 179.6° | 179.9° |
| C26 | C25 | C30 | C29 | 0.7° | 0.0° |
| C26 | C25 | C30 | C24 | 179.2° | 180.0° |
| C26 | C25 | C30 | O31 | 179.7° | 179.8° |
| C26 | C25 | C24 | C23 | 179.0° | 180.0° |
| C26 | C25 | C24 | H12 | 1.0° | 0.3° |
| C25 | C26 | C27 | H30 | 179.6° | 180.0° |
| C29 | C30 | C25 | O31 | 179.5° | 179.7° |
| C29 | C30 | C25 | C24 | 179.9° | 180.0° |
| C29 | C30 | O31 | C23 | 179.6° | 179.9° |
| C30 | C25 | C24 | C23 | 0.0° | 0.0° |
| C25 | C30 | O31 | C23 | 1.0° | 0.4° |
| C30 | C25 | C24 | H12 | 180.0° | 179.7° |
| C30 | C25 | C26 | H13 | 179.8° | 179.9° |
| C25 | C30 | C29 | H31 | 179.3° | 180.0° |
| C24 | C25 | C30 | O31 | 0.5° | 0.2° |
| C25 | C24 | C23 | H12 | 180.0° | 179.7° |
| C25 | C24 | C23 | O31 | 0.6° | 0.2° |
| C25 | C24 | C23 | C21 | 178.7° | 179.8° |
| C24 | C25 | C26 | H13 | 0.9° | 0.0° |
| C30 | O31 | C23 | C24 | 1.0° | 0.4° |
| C30 | O31 | C23 | C21 | 178.3° | 179.7° |
| O31 | C30 | C29 | H31 | 0.1° | 0.3° |
| C24 | C23 | O31 | C21 | 179.3° | 179.9° |
| C24 | C23 | C21 | N20 | 5.9° | 180.0° |
| C24 | C23 | C21 | O22 | 175.5° | 0.1° |
| O31 | C23 | C21 | N20 | 173.3° | 0.0° |
| O31 | C23 | C21 | O22 | 5.3° | 180.0° |
| O31 | C23 | C24 | H12 | 179.4° | 179.9° |
| C23 | C21 | N20 | O22 | 178.6° | 179.9° |
| C23 | C21 | N20 | C19 | 179.4° | 179.9° |
| C21 | C23 | C24 | H12 | 1.3° | 0.1° |
| C23 | C21 | N20 | H29 | 0.6° | 0.0° |
| C21 | N20 | C19 | H29 | 180.0° | 180.0° |
| C21 | N20 | C19 | C16 | 76.4° | 180.0° |
| C21 | N20 | C19 | H27 | 44.3° | 60.0° |
| C21 | N20 | C19 | H28 | 162.9° | 60.0° |
| O22 | C21 | N20 | C19 | 0.8° | 0.0° |
| O22 | C21 | N20 | H29 | 179.2° | 179.9° |
| N20 | C19 | C16 | H27 | 120.7° | 120.0° |
| N20 | C19 | C16 | H28 | 120.6° | 120.0° |
| N20 | C19 | C16 | C17 | 82.4° | 90.0° |
| N20 | C19 | C16 | C15 | 98.7° | 90.9° |
| N20 | C19 | H27 | H28 | 118.0° | 120.0° |
| C19 | C16 | C17 | C15 | 178.9° | 179.1° |
| C19 | C16 | C17 | C18 | 179.0° | 180.0° |
| C19 | C16 | C15 | C14 | 179.0° | 179.7° |
| C19 | C16 | C15 | H10 | 1.0° | 0.4° |
| C19 | C16 | C17 | H11 | 1.0° | 0.8° |
| C16 | C19 | H27 | H28 | 118.0° | 120.0° |
| C16 | C19 | N20 | H29 | 103.6° | 0.1° |
| C16 | C17 | C18 | H11 | 180.0° | 179.2° |
| C16 | C17 | C18 | C13 | 0.2° | 0.5° |
| C17 | C16 | C15 | C14 | 0.1° | 0.6° |
| C17 | C16 | C15 | H10 | 179.9° | 179.5° |
| C16 | C17 | C18 | H26 | 179.8° | 179.5° |
| C17 | C16 | C19 | H27 | 157.0° | 150.0° |
| C17 | C16 | C19 | H28 | 38.3° | 30.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.8° |
| C17 | C18 | C13 | H26 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 0.4° | 0.0° |
| C17 | C18 | C13 | S11 | 179.9° | 179.7° |
| C16 | C15 | C14 | H10 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | C16 | C17 | H11 | 179.9° | 179.9° |
| C16 | C15 | C14 | H25 | 179.7° | 179.9° |
| C15 | C16 | C19 | H27 | 21.9° | 29.1° |
| C15 | C16 | C19 | H28 | 140.6° | 149.1° |
| C18 | C13 | C14 | C15 | 0.5° | 0.3° |
| C18 | C13 | C14 | S11 | 179.5° | 179.7° |
| C18 | C13 | S11 | O12 | 179.5° | 155.9° |
| C18 | C13 | S11 | C8 | 66.1° | 90.3° |
| C13 | C18 | C17 | H11 | 179.8° | 179.8° |
| C18 | C13 | C14 | H25 | 179.5° | 179.8° |
| C15 | C14 | C13 | H25 | 180.0° | 180.0° |
| C15 | C14 | C13 | S11 | 179.9° | 180.0° |
| C14 | C13 | S11 | O12 | 0.0° | 23.8° |
| C14 | C13 | S11 | C8 | 113.4° | 90.0° |
| C13 | C14 | C15 | H10 | 179.8° | 179.9° |
| C14 | C13 | C18 | H26 | 179.5° | 180.0° |
| C13 | S11 | O12 | C8 | 109.2° | 109.0° |
| C13 | S11 | C8 | C7 | 174.0° | 175.0° |
| C13 | S11 | C8 | C9 | 68.3° | 55.3° |
| C13 | S11 | C8 | H7 | 52.5° | 64.8° |
| S11 | C13 | C14 | H25 | 0.0° | 0.0° |
| S11 | C13 | C18 | H26 | 0.0° | 0.2° |
| O12 | S11 | C8 | C7 | 75.3° | 66.0° |
| O12 | S11 | C8 | C9 | 42.5° | 53.7° |
| O12 | S11 | C8 | H7 | 163.3° | 173.9° |
| S11 | C8 | C7 | C9 | 118.3° | 119.9° |
| S11 | C8 | C7 | H7 | 119.3° | 120.2° |
| S11 | C8 | C9 | H7 | 118.6° | 120.2° |
| S11 | C8 | C7 | C6 | 178.1° | 177.5° |
| S11 | C8 | C9 | C10 | 180.0° | 177.5° |
| S11 | C8 | C7 | H5 | 62.0° | 57.7° |
| S11 | C8 | C7 | H6 | 58.2° | 62.5° |
| S11 | C8 | C9 | H22 | 60.1° | 57.6° |
| S11 | C8 | C9 | H23 | 60.1° | 62.5° |
| C7 | C8 | C9 | H7 | 122.4° | 119.9° |
| C8 | C7 | C6 | H5 | 119.9° | 119.9° |
| C8 | C7 | C6 | H6 | 119.9° | 120.0° |
| C7 | C8 | C9 | C10 | 60.9° | 57.7° |
| C8 | C7 | C6 | N5 | 59.1° | 59.2° |
| C8 | C7 | C6 | H3 | 61.1° | 60.8° |
| C8 | C7 | C6 | H4 | 179.4° | 179.2° |
| C8 | C7 | H5 | H6 | 120.3° | 120.2° |
| C7 | C8 | C9 | H22 | 58.9° | 62.3° |
| C7 | C8 | C9 | H23 | 179.2° | 177.6° |
| C9 | C8 | C7 | C6 | 59.7° | 57.6° |
| C8 | C9 | C10 | H22 | 119.9° | 120.0° |
| C8 | C9 | C10 | H23 | 119.9° | 119.9° |
| C8 | C9 | C10 | N5 | 61.0° | 59.2° |
| C9 | C8 | C7 | H5 | 179.6° | 62.2° |
| C9 | C8 | C7 | H6 | 60.2° | 177.6° |
| C8 | C9 | C10 | H8 | 179.0° | 60.8° |
| C8 | C9 | C10 | H9 | 59.1° | 179.2° |
| C8 | C9 | H22 | H23 | 120.3° | 120.1° |
| C7 | C6 | N5 | H3 | 120.3° | 120.0° |
| C7 | C6 | N5 | H4 | 120.3° | 120.0° |
| C7 | C6 | N5 | C10 | 58.9° | 61.7° |
| C7 | C6 | N5 | C4 | 178.0° | 174.2° |
| C7 | C6 | H3 | H4 | 119.2° | 120.0° |
| C6 | C7 | H5 | H6 | 120.3° | 120.0° |
| C6 | C7 | C8 | H7 | 62.6° | 62.3° |
| C9 | C10 | N5 | C6 | 59.4° | 61.7° |
| C9 | C10 | N5 | H8 | 120.1° | 120.0° |
| C9 | C10 | N5 | H9 | 120.1° | 120.0° |
| C9 | C10 | N5 | C4 | 178.6° | 174.1° |
| C10 | C9 | C8 | H7 | 61.4° | 62.2° |
| C9 | C10 | H8 | H9 | 119.8° | 120.0° |
| C10 | C9 | H22 | H23 | 120.3° | 120.1° |
| C6 | N5 | C10 | C4 | 119.2° | 124.1° |
| C6 | N5 | C4 | C2 | 170.1° | 170.0° |
| C6 | N5 | C4 | H1 | 49.2° | 50.0° |
| C6 | N5 | C4 | H2 | 68.9° | 70.1° |
| N5 | C6 | H3 | H4 | 119.2° | 119.9° |
| N5 | C6 | C7 | H5 | 179.0° | 60.8° |
| N5 | C6 | C7 | H6 | 60.8° | 179.2° |
| C6 | N5 | C10 | H8 | 179.5° | 58.3° |
| C6 | N5 | C10 | H9 | 60.7° | 178.3° |
| C10 | N5 | C4 | C2 | 48.6° | 65.8° |
| C10 | N5 | C4 | H1 | 72.4° | 174.2° |
| C10 | N5 | C4 | H2 | 169.5° | 54.2° |
| C10 | N5 | C6 | H3 | 61.4° | 58.3° |
| C10 | N5 | C6 | H4 | 179.2° | 178.3° |
| N5 | C10 | H8 | H9 | 119.8° | 120.0° |
| N5 | C10 | C9 | H22 | 58.9° | 60.8° |
| N5 | C10 | C9 | H23 | 179.1° | 179.1° |
| N5 | C4 | C2 | H1 | 120.9° | 120.0° |
| N5 | C4 | C2 | H2 | 120.9° | 120.0° |
| N5 | C4 | C2 | C1 | 66.0° | 175.0° |
| N5 | C4 | C2 | C3 | 175.3° | 65.0° |
| N5 | C4 | H1 | H2 | 117.1° | 120.0° |
| C4 | N5 | C6 | H3 | 61.8° | 65.8° |
| C4 | N5 | C6 | H4 | 57.7° | 54.1° |
| C4 | N5 | C10 | H8 | 61.3° | 65.8° |
| C4 | N5 | C10 | H9 | 58.5° | 54.2° |
| N5 | C4 | C2 | H17 | 55.6° | 54.9° |
| C4 | C2 | C1 | C3 | 118.7° | 120.0° |
| C4 | C2 | C1 | H17 | 121.5° | 120.0° |
| C4 | C2 | C3 | H17 | 119.7° | 120.0° |
| C2 | C4 | H1 | H2 | 117.1° | 120.0° |
| C4 | C2 | C1 | H14 | 180.0° | 60.0° |
| C4 | C2 | C1 | H15 | 60.0° | 180.0° |
| C4 | C2 | C1 | H16 | 60.0° | 60.0° |
| C4 | C2 | C3 | H18 | 180.0° | 60.0° |
| C4 | C2 | C3 | H19 | 60.0° | 180.0° |
| C4 | C2 | C3 | H20 | 60.0° | 60.0° |
| C1 | C2 | C3 | H17 | 119.9° | 120.0° |
| C1 | C2 | C4 | H1 | 173.1° | 65.0° |
| C1 | C2 | C4 | H2 | 55.0° | 55.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C1 | C2 | C3 | H18 | 59.6° | 180.0° |
| C1 | C2 | C3 | H19 | 179.6° | 60.0° |
| C1 | C2 | C3 | H20 | 60.4° | 60.0° |
| C3 | C2 | C4 | H1 | 54.4° | 55.0° |
| C3 | C2 | C4 | H2 | 63.7° | 175.0° |
| C3 | C2 | C1 | H14 | 61.3° | 60.0° |
| C3 | C2 | C1 | H15 | 58.7° | 60.0° |
| C3 | C2 | C1 | H16 | 178.7° | 180.0° |
| C2 | C3 | H18 | H19 | 120.0° | 120.0° |
| C2 | C3 | H18 | H20 | 120.0° | 120.0° |
| C2 | C3 | H19 | H20 | 120.0° | 120.0° |
| H1 | C4 | C2 | H17 | 65.4° | 174.9° |
| H2 | C4 | C2 | H17 | 176.5° | 65.0° |
| H3 | C6 | C7 | H5 | 58.8° | 179.3° |
| H3 | C6 | C7 | H6 | 179.0° | 59.2° |
| H4 | C6 | C7 | H5 | 60.7° | 59.2° |
| H4 | C6 | C7 | H6 | 59.5° | 60.8° |
| H5 | C7 | C8 | H7 | 57.3° | 177.8° |
| H6 | C7 | C8 | H7 | 177.5° | 57.7° |
| H7 | C8 | C9 | H22 | 178.7° | 177.8° |
| H7 | C8 | C9 | H23 | 58.5° | 57.7° |
| H8 | C10 | C9 | H22 | 61.1° | 179.2° |
| H8 | C10 | C9 | H23 | 59.1° | 59.1° |
| H9 | C10 | C9 | H22 | 179.0° | 59.2° |
| H9 | C10 | C9 | H23 | 60.8° | 60.9° |
| H10 | C15 | C14 | H25 | 0.2° | 0.0° |
| H11 | C17 | C18 | H26 | 0.2° | 0.2° |
| H13 | C26 | C27 | H30 | 0.4° | 0.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 58.5° | 180.0° |
| H15 | C1 | C2 | H17 | 178.5° | 60.0° |
| H16 | C1 | C2 | H17 | 61.5° | 60.0° |
| H17 | C2 | C3 | H18 | 60.3° | 60.0° |
| H17 | C2 | C3 | H19 | 59.7° | 60.0° |
| H17 | C2 | C3 | H20 | 179.7° | 179.9° |
| H18 | C3 | H19 | H20 | 120.0° | 120.0° |
| H27 | C19 | N20 | H29 | 135.7° | 120.0° |
| H28 | C19 | N20 | H29 | 17.1° | 120.0° |
