A1ITI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR32 | C31 | sing | 1.89Å | 1.90Å | |
| C31 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C29 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | N6 | sing | 1.47Å | 1.51Å | |
| O28 | C24 | doub | 1.21Å | 1.23Å | |
| N6 | C7 | sing | 1.46Å | 1.48Å | |
| N6 | C23 | sing | 1.44Å | 1.48Å | |
| C24 | N25 | sing | 1.35Å | 1.33Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C26 | N25 | sing | 1.46Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C7 | C8 | sing | 1.47Å | 1.51Å | |
| C23 | C11 | sing | 1.55Å | 1.52Å | |
| C8 | N9 | sing | 1.50Å | 1.46Å | |
| C11 | C10 | sing | 1.55Å | 1.52Å | |
| N9 | C10 | sing | 1.44Å | 1.47Å | |
| N9 | C12 | sing | 1.35Å | 1.34Å | |
| S17 | C16 | sing | 1.76Å | 1.73Å | Aromatic |
| S17 | C18 | sing | 1.76Å | 1.73Å | Aromatic |
| C16 | C15 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| N20 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | C13 | doub | 1.43Å | 1.41Å | Aromatic |
| C21 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.50Å | |
| C12 | O22 | doub | 1.22Å | 1.22Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N25 | H24 | sing | 0.97Å | 1.00Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR32 | C31 | C33 | 119.3° | 120.1° |
| BR32 | C31 | C30 | 119.2° | 120.0° |
| C33 | C31 | C30 | 121.5° | 119.9° |
| C31 | C33 | C3 | 120.0° | 120.0° |
| C31 | C33 | H30 | 120.0° | 119.9° |
| C31 | C30 | C29 | 118.8° | 120.0° |
| C31 | C30 | H29 | 120.6° | 120.0° |
| C33 | C3 | C2 | 118.7° | 120.0° |
| C33 | C3 | C4 | 119.1° | 120.0° |
| C3 | C33 | H30 | 120.0° | 120.0° |
| C30 | C29 | C4 | 121.3° | 120.0° |
| C30 | C29 | H28 | 119.4° | 120.0° |
| C29 | C30 | H29 | 120.6° | 120.0° |
| C2 | C3 | C4 | 122.2° | 120.0° |
| C3 | C2 | C1 | 112.8° | 109.5° |
| C3 | C2 | H16 | 108.7° | 109.4° |
| C3 | C2 | H17 | 108.6° | 109.4° |
| C3 | C4 | C29 | 119.3° | 120.0° |
| C3 | C4 | C5 | 121.6° | 120.0° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C1 | C2 | H16 | 108.6° | 109.5° |
| C1 | C2 | H17 | 108.7° | 109.5° |
| C29 | C4 | C5 | 119.1° | 120.0° |
| C4 | C29 | H28 | 119.4° | 120.0° |
| C4 | C5 | N6 | 114.9° | 109.5° |
| C4 | C5 | H1 | 108.1° | 109.5° |
| C4 | C5 | H2 | 108.1° | 109.5° |
| C5 | N6 | C7 | 112.9° | 111.0° |
| C5 | N6 | C23 | 112.5° | 111.0° |
| N6 | C5 | H1 | 108.1° | 109.5° |
| N6 | C5 | H2 | 108.1° | 109.5° |
| O28 | C24 | N25 | 124.5° | 119.9° |
| O28 | C24 | C23 | 120.0° | 120.0° |
| C7 | N6 | C23 | 117.0° | 106.1° |
| N6 | C7 | C8 | 114.4° | 114.3° |
| N6 | C7 | H3 | 108.2° | 108.5° |
| N6 | C7 | H4 | 108.2° | 108.4° |
| N6 | C23 | C24 | 111.8° | 109.4° |
| N6 | C23 | C11 | 113.7° | 110.3° |
| N6 | C23 | H23 | 108.1° | 109.3° |
| N25 | C24 | C23 | 115.4° | 120.0° |
| C24 | N25 | C26 | 122.8° | 120.0° |
| C24 | N25 | H24 | 118.6° | 120.0° |
| C24 | C23 | C11 | 107.9° | 109.3° |
| C24 | C23 | H23 | 107.6° | 109.4° |
| N25 | C26 | C27 | 110.2° | 109.5° |
| N25 | C26 | H11 | 109.3° | 109.5° |
| N25 | C26 | H12 | 109.3° | 109.5° |
| C26 | N25 | H24 | 118.6° | 120.0° |
| C27 | C26 | H11 | 109.3° | 109.5° |
| C27 | C26 | H12 | 109.3° | 109.5° |
| C26 | C27 | H25 | 109.5° | 109.4° |
| C26 | C27 | H26 | 109.4° | 109.5° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C7 | C8 | N9 | 112.1° | 106.9° |
| C8 | C7 | H3 | 108.2° | 108.5° |
| C8 | C7 | H4 | 108.2° | 108.5° |
| C7 | C8 | H5 | 108.8° | 110.0° |
| C7 | C8 | H6 | 108.8° | 109.9° |
| C23 | C11 | C10 | 116.8° | 109.7° |
| C23 | C11 | H19 | 107.6° | 109.4° |
| C23 | C11 | H20 | 107.6° | 109.4° |
| C11 | C23 | H23 | 107.6° | 109.2° |
| C8 | N9 | C10 | 119.6° | 118.9° |
| C8 | N9 | C12 | 125.4° | 120.6° |
| N9 | C8 | H5 | 108.8° | 110.0° |
| N9 | C8 | H6 | 108.8° | 110.0° |
| C11 | C10 | N9 | 114.0° | 116.2° |
| C11 | C10 | H7 | 108.3° | 108.1° |
| C11 | C10 | H8 | 108.3° | 108.0° |
| C10 | C11 | H19 | 107.6° | 109.5° |
| C10 | C11 | H20 | 107.6° | 109.4° |
| C10 | N9 | C12 | 114.9° | 120.5° |
| N9 | C10 | H7 | 108.4° | 108.1° |
| N9 | C10 | H8 | 108.3° | 108.2° |
| N9 | C12 | C13 | 121.5° | 120.0° |
| N9 | C12 | O22 | 122.7° | 120.0° |
| C16 | S17 | C18 | 91.1° | 91.5° |
| S17 | C16 | C15 | 113.7° | 110.8° |
| S17 | C16 | H21 | 123.1° | 124.6° |
| S17 | C18 | C19 | 127.5° | 131.4° |
| S17 | C18 | C14 | 111.4° | 109.2° |
| C16 | C15 | C14 | 112.1° | 115.7° |
| C16 | C15 | H9 | 124.0° | 122.1° |
| C15 | C16 | H21 | 123.2° | 124.6° |
| C18 | C19 | N20 | 122.2° | 121.2° |
| C19 | C18 | C14 | 121.1° | 119.3° |
| C18 | C19 | H22 | 118.9° | 119.4° |
| C19 | N20 | C21 | 117.4° | 122.2° |
| N20 | C19 | H22 | 118.9° | 119.4° |
| C18 | C14 | C15 | 111.7° | 112.7° |
| C18 | C14 | C13 | 116.0° | 117.3° |
| N20 | C21 | C13 | 124.6° | 121.1° |
| N20 | C21 | H10 | 117.7° | 119.4° |
| C15 | C14 | C13 | 132.2° | 130.0° |
| C14 | C15 | H9 | 123.9° | 122.1° |
| C14 | C13 | C21 | 118.7° | 118.9° |
| C14 | C13 | C12 | 122.9° | 120.6° |
| C21 | C13 | C12 | 118.4° | 120.6° |
| C13 | C21 | H10 | 117.7° | 119.4° |
| C13 | C12 | O22 | 115.7° | 120.0° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H3 | C7 | H4 | 109.5° | 108.5° |
| H5 | C8 | H6 | 109.5° | 110.0° |
| H7 | C10 | H8 | 109.5° | 108.0° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.4° |
| H25 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR32 | C31 | C33 | C30 | 179.9° | 179.8° |
| BR32 | C31 | C33 | C3 | 179.9° | 179.9° |
| BR32 | C31 | C30 | C29 | 180.0° | 180.0° |
| BR32 | C31 | C30 | H29 | 0.0° | 0.1° |
| BR32 | C31 | C33 | H30 | 0.1° | 0.2° |
| C31 | C33 | C3 | H30 | 180.0° | 179.7° |
| C33 | C31 | C30 | C29 | 0.1° | 0.2° |
| C31 | C33 | C3 | C2 | 179.9° | 180.0° |
| C31 | C33 | C3 | C4 | 0.1° | 0.0° |
| C33 | C31 | C30 | H29 | 179.9° | 179.7° |
| C30 | C31 | C33 | C3 | 0.1° | 0.3° |
| C31 | C30 | C29 | H29 | 180.0° | 179.9° |
| C31 | C30 | C29 | C4 | 0.2° | 0.0° |
| C31 | C30 | C29 | H28 | 179.8° | 180.0° |
| C30 | C31 | C33 | H30 | 180.0° | 180.0° |
| C33 | C3 | C2 | C4 | 179.8° | 179.9° |
| C33 | C3 | C2 | C1 | 83.7° | 95.0° |
| C33 | C3 | C4 | C29 | 0.2° | 0.2° |
| C33 | C3 | C4 | C5 | 180.0° | 180.0° |
| C33 | C3 | C2 | H16 | 36.7° | 145.1° |
| C33 | C3 | C2 | H17 | 155.8° | 25.1° |
| C30 | C29 | C4 | C3 | 0.2° | 0.3° |
| C30 | C29 | C4 | H28 | 180.0° | 180.0° |
| C30 | C29 | C4 | C5 | 179.9° | 180.0° |
| C3 | C2 | C1 | H16 | 120.5° | 119.9° |
| C3 | C2 | C1 | H17 | 120.5° | 120.0° |
| C2 | C3 | C4 | C29 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H13 | 180.0° | 180.0° |
| C3 | C2 | C1 | H14 | 60.0° | 60.0° |
| C3 | C2 | C1 | H15 | 60.0° | 60.0° |
| C3 | C2 | H16 | H17 | 118.5° | 120.0° |
| C2 | C3 | C33 | H30 | 0.1° | 0.3° |
| C4 | C3 | C2 | C1 | 96.0° | 85.0° |
| C3 | C4 | C29 | C5 | 179.8° | 179.7° |
| C3 | C4 | C5 | N6 | 155.5° | 80.0° |
| C3 | C4 | C5 | H1 | 34.7° | 160.0° |
| C3 | C4 | C5 | H2 | 83.7° | 40.0° |
| C4 | C3 | C2 | H16 | 143.5° | 35.0° |
| C4 | C3 | C2 | H17 | 24.5° | 155.0° |
| C3 | C4 | C29 | H28 | 179.8° | 179.7° |
| C4 | C3 | C33 | H30 | 179.9° | 179.7° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C1 | C2 | H16 | H17 | 118.5° | 120.1° |
| C29 | C4 | C5 | N6 | 24.7° | 100.3° |
| C29 | C4 | C5 | H1 | 145.5° | 19.7° |
| C29 | C4 | C5 | H2 | 96.1° | 139.7° |
| C4 | C29 | C30 | H29 | 179.8° | 180.0° |
| C4 | C5 | N6 | H1 | 120.8° | 120.0° |
| C4 | C5 | N6 | H2 | 120.8° | 120.0° |
| C4 | C5 | N6 | C7 | 63.0° | 67.4° |
| C4 | C5 | N6 | C23 | 162.0° | 174.8° |
| C4 | C5 | H1 | H2 | 117.5° | 120.0° |
| C5 | C4 | C29 | H28 | 0.1° | 0.0° |
| C5 | N6 | C7 | C23 | 132.9° | 120.7° |
| C5 | N6 | C23 | C24 | 53.7° | 19.1° |
| C5 | N6 | C7 | C8 | 159.3° | 147.0° |
| C5 | N6 | C23 | C11 | 176.1° | 139.3° |
| N6 | C5 | H1 | H2 | 117.5° | 120.0° |
| C5 | N6 | C7 | H3 | 38.6° | 91.8° |
| C5 | N6 | C7 | H4 | 79.9° | 25.8° |
| C5 | N6 | C23 | H23 | 64.5° | 100.6° |
| O28 | C24 | C23 | N6 | 49.1° | 55.8° |
| O28 | C24 | N25 | C23 | 177.3° | 180.0° |
| O28 | C24 | N25 | C26 | 7.9° | 0.0° |
| O28 | C24 | C23 | C11 | 76.6° | 65.0° |
| O28 | C24 | C23 | H23 | 167.6° | 175.5° |
| O28 | C24 | N25 | H24 | 172.1° | 180.0° |
| C7 | N6 | C23 | C24 | 173.2° | 139.7° |
| N6 | C7 | C8 | H3 | 120.7° | 121.3° |
| N6 | C7 | C8 | H4 | 120.7° | 121.1° |
| C7 | N6 | C23 | C11 | 50.8° | 100.0° |
| N6 | C7 | C8 | N9 | 90.1° | 58.0° |
| C7 | N6 | C5 | H1 | 57.8° | 52.5° |
| C7 | N6 | C5 | H2 | 176.2° | 172.5° |
| N6 | C7 | H3 | H4 | 117.8° | 117.5° |
| N6 | C7 | C8 | H5 | 30.3° | 61.4° |
| N6 | C7 | C8 | H6 | 149.6° | 177.4° |
| C7 | N6 | C23 | H23 | 68.6° | 20.0° |
| N6 | C23 | C24 | N25 | 133.5° | 124.2° |
| N6 | C23 | C24 | C11 | 125.7° | 120.8° |
| N6 | C23 | C24 | H23 | 118.5° | 119.7° |
| C23 | N6 | C7 | C8 | 67.8° | 92.4° |
| N6 | C23 | C11 | H23 | 119.6° | 120.1° |
| N6 | C23 | C11 | C10 | 73.1° | 38.4° |
| C23 | N6 | C5 | H1 | 77.2° | 65.2° |
| C23 | N6 | C5 | H2 | 41.2° | 54.8° |
| C23 | N6 | C7 | H3 | 171.5° | 28.9° |
| C23 | N6 | C7 | H4 | 53.0° | 146.5° |
| N6 | C23 | C11 | H19 | 165.9° | 81.7° |
| N6 | C23 | C11 | H20 | 48.0° | 158.4° |
| C24 | N25 | C26 | H24 | 180.0° | 180.0° |
| C24 | N25 | C26 | C27 | 91.0° | 180.0° |
| N25 | C24 | C23 | C11 | 100.8° | 115.0° |
| C24 | N25 | C26 | H11 | 148.9° | 60.0° |
| C24 | N25 | C26 | H12 | 29.1° | 60.0° |
| N25 | C24 | C23 | H23 | 15.0° | 4.5° |
| C23 | C24 | N25 | C26 | 169.4° | 180.0° |
| C24 | C23 | C11 | H23 | 115.8° | 119.6° |
| C24 | C23 | C11 | C10 | 162.4° | 158.7° |
| C24 | C23 | C11 | H19 | 41.3° | 38.6° |
| C24 | C23 | C11 | H20 | 76.6° | 81.3° |
| C23 | C24 | N25 | H24 | 10.6° | 0.0° |
| N25 | C26 | C27 | H11 | 120.1° | 120.0° |
| N25 | C26 | C27 | H12 | 120.1° | 120.0° |
| N25 | C26 | H11 | H12 | 119.7° | 120.0° |
| N25 | C26 | C27 | H25 | 180.0° | 180.0° |
| N25 | C26 | C27 | H26 | 60.0° | 60.1° |
| N25 | C26 | C27 | H27 | 60.0° | 60.0° |
| C27 | C26 | H11 | H12 | 119.6° | 120.0° |
| C27 | C26 | N25 | H24 | 89.0° | 0.0° |
| C26 | C27 | H25 | H26 | 120.0° | 120.0° |
| C26 | C27 | H25 | H27 | 120.0° | 120.0° |
| C26 | C27 | H26 | H27 | 120.0° | 120.1° |
| C7 | C8 | N9 | H5 | 120.4° | 119.4° |
| C7 | C8 | N9 | H6 | 120.4° | 119.3° |
| C7 | C8 | N9 | C10 | 52.5° | 68.3° |
| C7 | C8 | N9 | C12 | 124.5° | 111.7° |
| C8 | C7 | H3 | H4 | 117.8° | 117.7° |
| C7 | C8 | H5 | H6 | 118.8° | 121.2° |
| C23 | C11 | C10 | H19 | 121.1° | 120.1° |
| C23 | C11 | C10 | H20 | 121.1° | 120.0° |
| C23 | C11 | C10 | N9 | 80.2° | 41.1° |
| C23 | C11 | C10 | H7 | 40.5° | 80.6° |
| C23 | C11 | C10 | H8 | 159.1° | 162.8° |
| C23 | C11 | H19 | H20 | 116.7° | 119.8° |
| C8 | N9 | C10 | C11 | 21.4° | 89.5° |
| C8 | N9 | C10 | C12 | 177.3° | 180.0° |
| C8 | N9 | C12 | C13 | 10.0° | 4.4° |
| C8 | N9 | C12 | O22 | 174.4° | 175.7° |
| N9 | C8 | C7 | H3 | 149.2° | 63.2° |
| N9 | C8 | C7 | H4 | 30.7° | 179.1° |
| N9 | C8 | H5 | H6 | 118.8° | 121.3° |
| C8 | N9 | C10 | H7 | 99.2° | 32.2° |
| C8 | N9 | C10 | H8 | 142.1° | 148.9° |
| C11 | C10 | N9 | H7 | 120.7° | 121.7° |
| C11 | C10 | N9 | H8 | 120.7° | 121.6° |
| C11 | C10 | N9 | C12 | 161.3° | 90.5° |
| C11 | C10 | H7 | H8 | 117.9° | 116.6° |
| C10 | C11 | H19 | H20 | 116.7° | 119.9° |
| C10 | C11 | C23 | H23 | 46.6° | 81.7° |
| C10 | N9 | C12 | C13 | 172.9° | 175.6° |
| C10 | N9 | C12 | O22 | 2.7° | 4.3° |
| C10 | N9 | C8 | H5 | 67.9° | 51.1° |
| C10 | N9 | C8 | H6 | 172.8° | 172.4° |
| N9 | C10 | H7 | H8 | 117.9° | 116.8° |
| N9 | C10 | C11 | H19 | 158.7° | 161.2° |
| N9 | C10 | C11 | H20 | 40.8° | 78.8° |
| N9 | C12 | C13 | C14 | 71.5° | 125.2° |
| N9 | C12 | C13 | C21 | 109.6° | 54.6° |
| N9 | C12 | C13 | O22 | 175.9° | 180.0° |
| C12 | N9 | C8 | H5 | 115.1° | 128.9° |
| C12 | N9 | C8 | H6 | 4.1° | 7.6° |
| C12 | N9 | C10 | H7 | 78.0° | 147.8° |
| C12 | N9 | C10 | H8 | 40.6° | 31.1° |
| S17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C16 | S17 | C18 | C19 | 179.9° | 180.0° |
| C16 | S17 | C18 | C14 | 0.1° | 0.0° |
| S17 | C16 | C15 | C14 | 0.1° | 0.0° |
| S17 | C16 | C15 | H9 | 180.0° | 180.0° |
| C18 | S17 | C16 | C15 | 0.1° | 0.0° |
| S17 | C18 | C19 | C14 | 180.0° | 180.0° |
| S17 | C18 | C19 | N20 | 179.9° | 179.7° |
| S17 | C18 | C14 | C15 | 0.0° | 0.0° |
| S17 | C18 | C14 | C13 | 179.9° | 180.0° |
| C18 | S17 | C16 | H21 | 180.0° | 180.0° |
| S17 | C18 | C19 | H22 | 0.2° | 0.0° |
| C16 | C15 | C14 | C18 | 0.0° | 0.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.8° | 180.0° |
| C18 | C19 | N20 | H22 | 180.0° | 179.8° |
| C18 | C19 | N20 | C21 | 0.1° | 0.3° |
| C19 | C18 | C14 | C15 | 179.9° | 180.0° |
| C19 | C18 | C14 | C13 | 0.1° | 0.0° |
| N20 | C19 | C18 | C14 | 0.1° | 0.2° |
| C19 | N20 | C21 | C13 | 0.1° | 0.1° |
| C19 | N20 | C21 | H10 | 179.9° | 180.0° |
| C18 | C14 | C15 | C13 | 179.8° | 180.0° |
| C18 | C14 | C13 | C21 | 0.3° | 0.2° |
| C18 | C14 | C13 | C12 | 179.2° | 180.0° |
| C18 | C14 | C15 | H9 | 180.0° | 180.0° |
| C14 | C18 | C19 | H22 | 179.8° | 180.0° |
| N20 | C21 | C13 | C14 | 0.4° | 0.2° |
| N20 | C21 | C13 | H10 | 180.0° | 179.9° |
| N20 | C21 | C13 | C12 | 179.3° | 180.0° |
| C21 | N20 | C19 | H22 | 179.8° | 179.9° |
| C15 | C14 | C13 | C21 | 179.9° | 179.8° |
| C15 | C14 | C13 | C12 | 1.0° | 0.0° |
| C14 | C15 | C16 | H21 | 180.0° | 180.0° |
| C14 | C13 | C21 | C12 | 178.9° | 179.8° |
| C14 | C13 | C12 | O22 | 104.4° | 54.8° |
| C13 | C14 | C15 | H9 | 0.2° | 0.0° |
| C14 | C13 | C21 | H10 | 179.6° | 179.7° |
| C21 | C13 | C12 | O22 | 74.5° | 125.4° |
| C12 | C13 | C21 | H10 | 0.7° | 0.1° |
| H3 | C7 | C8 | H5 | 90.4° | 177.4° |
| H3 | C7 | C8 | H6 | 28.8° | 56.1° |
| H4 | C7 | C8 | H5 | 151.0° | 59.7° |
| H4 | C7 | C8 | H6 | 89.7° | 61.5° |
| H7 | C10 | C11 | H19 | 80.6° | 39.5° |
| H7 | C10 | C11 | H20 | 161.5° | 159.5° |
| H8 | C10 | C11 | H19 | 38.1° | 77.1° |
| H8 | C10 | C11 | H20 | 79.8° | 42.9° |
| H9 | C15 | C16 | H21 | 0.0° | 0.0° |
| H11 | C26 | N25 | H24 | 31.2° | 120.0° |
| H11 | C26 | C27 | H25 | 59.9° | 60.0° |
| H11 | C26 | C27 | H26 | 179.9° | 179.9° |
| H11 | C26 | C27 | H27 | 60.2° | 60.0° |
| H12 | C26 | N25 | H24 | 150.9° | 120.0° |
| H12 | C26 | C27 | H25 | 59.9° | 60.0° |
| H12 | C26 | C27 | H26 | 60.1° | 59.9° |
| H12 | C26 | C27 | H27 | 179.9° | 180.0° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
| H13 | C1 | C2 | H16 | 59.5° | 60.0° |
| H13 | C1 | C2 | H17 | 59.5° | 60.0° |
| H14 | C1 | C2 | H16 | 179.5° | 59.9° |
| H14 | C1 | C2 | H17 | 60.5° | 180.0° |
| H15 | C1 | C2 | H16 | 60.5° | 179.9° |
| H15 | C1 | C2 | H17 | 179.5° | 60.0° |
| H19 | C11 | C23 | H23 | 74.5° | 158.2° |
| H20 | C11 | C23 | H23 | 167.6° | 38.3° |
| H25 | C27 | H26 | H27 | 120.0° | 120.0° |
| H28 | C29 | C30 | H29 | 0.2° | 0.0° |
