A1AY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C31 | N32 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N11 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| N32 | C33 | sing | 1.34Å | 1.35Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N11 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C27 | C33 | sing | 1.48Å | 1.47Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | O34 | doub | 1.22Å | 1.23Å | |
| N14 | C18 | sing | 1.47Å | 1.47Å | |
| N14 | C13 | sing | 1.35Å | 1.36Å | |
| C4 | N7 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.48Å | 1.51Å | |
| C12 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C40 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.39Å | 1.39Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C13 | O39 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.50Å | |
| O38 | C20 | doub | 1.21Å | 1.23Å | |
| N7 | C6 | sing | 1.47Å | 1.47Å | |
| C3 | N2 | sing | 1.47Å | 1.49Å | |
| C20 | N21 | sing | 1.35Å | 1.36Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N21 | C22 | sing | 1.40Å | 1.41Å | |
| N2 | C5 | sing | 1.47Å | 1.49Å | |
| N2 | C1 | sing | 1.47Å | 1.49Å | |
| C22 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | 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 | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| N21 | H26 | sing | 0.97Å | 1.00Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| N32 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C31 | N32 | 101.4° | 106.2° |
| C31 | C30 | C29 | 131.2° | 133.1° |
| C31 | C30 | C27 | 109.5° | 106.4° |
| C30 | C31 | H29 | 111.4° | 110.1° |
| C30 | C31 | H17 | 111.4° | 110.1° |
| C31 | N32 | C33 | 114.2° | 108.8° |
| N32 | C31 | H29 | 111.5° | 110.1° |
| N32 | C31 | H17 | 111.4° | 110.1° |
| C31 | N32 | H34 | 122.9° | 125.6° |
| C30 | C29 | C28 | 120.0° | 120.1° |
| C29 | C30 | C27 | 119.3° | 120.5° |
| C30 | C29 | H28 | 120.0° | 119.9° |
| C29 | C28 | C25 | 121.3° | 120.1° |
| C29 | C28 | H13 | 119.4° | 120.0° |
| C28 | C29 | H28 | 120.0° | 119.9° |
| N11 | C10 | C9 | 123.8° | 121.0° |
| C10 | N11 | C12 | 117.1° | 121.8° |
| N11 | C10 | H7 | 118.1° | 119.5° |
| C10 | C9 | C8 | 118.9° | 119.2° |
| C9 | C10 | H7 | 118.1° | 119.5° |
| C10 | C9 | H20 | 120.6° | 120.3° |
| C30 | C27 | C33 | 108.7° | 108.3° |
| C30 | C27 | C26 | 121.0° | 119.5° |
| N32 | C33 | C27 | 106.2° | 110.3° |
| N32 | C33 | O34 | 125.9° | 124.9° |
| C33 | N32 | H34 | 122.9° | 125.6° |
| C16 | C15 | N14 | 111.0° | 108.8° |
| C15 | C16 | C17 | 110.8° | 109.3° |
| C16 | C15 | H8 | 109.1° | 109.6° |
| C16 | C15 | H9 | 109.1° | 109.6° |
| C15 | C16 | H21 | 109.1° | 109.5° |
| C15 | C16 | H22 | 109.1° | 109.5° |
| C15 | N14 | C18 | 112.4° | 118.8° |
| C15 | N14 | C13 | 126.5° | 120.7° |
| N14 | C15 | H8 | 109.1° | 109.6° |
| N14 | C15 | H9 | 109.1° | 109.6° |
| C16 | C17 | C19 | 111.6° | 109.5° |
| C16 | C17 | H10 | 108.9° | 109.4° |
| C16 | C17 | H11 | 108.9° | 109.4° |
| C17 | C16 | H21 | 109.1° | 109.5° |
| C17 | C16 | H22 | 109.1° | 109.5° |
| N11 | C12 | C13 | 117.9° | 119.7° |
| N11 | C12 | C40 | 123.3° | 120.6° |
| C9 | C8 | C40 | 117.8° | 118.4° |
| C9 | C8 | N7 | 121.1° | 120.8° |
| C8 | C9 | H20 | 120.5° | 120.5° |
| C28 | C25 | C26 | 118.2° | 120.0° |
| C28 | C25 | C24 | 120.9° | 120.0° |
| C25 | C28 | H13 | 119.4° | 119.9° |
| C17 | C19 | C18 | 111.5° | 109.4° |
| C17 | C19 | C20 | 109.8° | 109.5° |
| C19 | C17 | H10 | 108.9° | 109.4° |
| C19 | C17 | H11 | 108.9° | 109.5° |
| C17 | C19 | H25 | 107.9° | 109.5° |
| C33 | C27 | C26 | 130.2° | 132.3° |
| C27 | C33 | O34 | 127.6° | 124.8° |
| C27 | C26 | C25 | 120.2° | 119.8° |
| C27 | C26 | H12 | 119.9° | 120.1° |
| C18 | N14 | C13 | 121.1° | 120.6° |
| N14 | C18 | C19 | 110.2° | 108.8° |
| N14 | C18 | H23 | 109.3° | 109.6° |
| N14 | C18 | H24 | 109.3° | 109.5° |
| N14 | C13 | C12 | 120.2° | 120.0° |
| N14 | C13 | O39 | 122.3° | 119.9° |
| N7 | C4 | C3 | 109.9° | 109.4° |
| C4 | N7 | C8 | 122.5° | 111.0° |
| C4 | N7 | C6 | 112.4° | 110.9° |
| N7 | C4 | H1 | 109.4° | 109.5° |
| N7 | C4 | H2 | 109.4° | 109.5° |
| C4 | C3 | N2 | 110.9° | 109.4° |
| C3 | C4 | H1 | 109.4° | 109.5° |
| C3 | C4 | H2 | 109.4° | 109.4° |
| C4 | C3 | H18 | 109.1° | 109.5° |
| C4 | C3 | H19 | 109.1° | 109.5° |
| C13 | C12 | C40 | 118.8° | 119.7° |
| C12 | C13 | O39 | 117.5° | 120.0° |
| C12 | C40 | C8 | 119.1° | 119.0° |
| C12 | C40 | H33 | 120.5° | 120.5° |
| C40 | C8 | N7 | 121.1° | 120.8° |
| C8 | C40 | H33 | 120.5° | 120.5° |
| C8 | N7 | C6 | 123.3° | 111.0° |
| C18 | C19 | C20 | 111.3° | 109.5° |
| C19 | C18 | H23 | 109.3° | 109.6° |
| C19 | C18 | H24 | 109.3° | 109.6° |
| C18 | C19 | H25 | 107.9° | 109.5° |
| C19 | C20 | O38 | 121.6° | 120.0° |
| C19 | C20 | N21 | 114.2° | 120.0° |
| C20 | C19 | H25 | 108.3° | 109.5° |
| C26 | C25 | C24 | 120.8° | 120.0° |
| C25 | C26 | H12 | 119.9° | 120.1° |
| C25 | C24 | C23 | 120.1° | 120.1° |
| C25 | C24 | C35 | 121.9° | 120.1° |
| O38 | C20 | N21 | 124.1° | 120.0° |
| N7 | C6 | C5 | 109.8° | 109.4° |
| N7 | C6 | H5 | 109.4° | 109.5° |
| N7 | C6 | H6 | 109.4° | 109.5° |
| C3 | N2 | C5 | 110.7° | 110.9° |
| C3 | N2 | C1 | 111.2° | 111.0° |
| N2 | C3 | H18 | 109.1° | 109.6° |
| N2 | C3 | H19 | 109.1° | 109.4° |
| C20 | N21 | C22 | 127.6° | 120.0° |
| C20 | N21 | H26 | 116.2° | 120.0° |
| C24 | C23 | C22 | 121.6° | 119.8° |
| C23 | C24 | C35 | 117.9° | 119.8° |
| C24 | C23 | H27 | 119.2° | 120.1° |
| C23 | C22 | N21 | 117.6° | 120.0° |
| C23 | C22 | C37 | 119.6° | 120.0° |
| C22 | C23 | H27 | 119.2° | 120.1° |
| C24 | C35 | C36 | 120.9° | 120.0° |
| C24 | C35 | H30 | 119.6° | 120.0° |
| C6 | C5 | N2 | 111.2° | 109.3° |
| C6 | C5 | H3 | 109.0° | 109.5° |
| C6 | C5 | H4 | 109.0° | 109.5° |
| C5 | C6 | H5 | 109.4° | 109.5° |
| C5 | C6 | H6 | 109.4° | 109.5° |
| N21 | C22 | C37 | 122.6° | 120.0° |
| C22 | N21 | H26 | 116.2° | 120.0° |
| C5 | N2 | C1 | 111.1° | 111.0° |
| N2 | C5 | H3 | 109.1° | 109.5° |
| N2 | C5 | H4 | 109.1° | 109.5° |
| N2 | C1 | H14 | 109.5° | 109.5° |
| N2 | C1 | H15 | 109.4° | 109.5° |
| N2 | C1 | H16 | 109.5° | 109.4° |
| C22 | C37 | C36 | 119.6° | 120.1° |
| C22 | C37 | H32 | 120.2° | 119.9° |
| C35 | C36 | C37 | 120.4° | 120.2° |
| C36 | C35 | H30 | 119.6° | 120.0° |
| C35 | C36 | H31 | 119.8° | 119.9° |
| C37 | C36 | H31 | 119.8° | 119.9° |
| C36 | C37 | H32 | 120.2° | 119.9° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.7° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.7° |
| H29 | C31 | H17 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C31 | N32 | H29 | 118.7° | 119.2° |
| C30 | C31 | N32 | H17 | 118.7° | 119.1° |
| C31 | C30 | C29 | C27 | 177.3° | 179.8° |
| C31 | C30 | C29 | C28 | 176.9° | 180.0° |
| C30 | C31 | N32 | C33 | 0.5° | 0.2° |
| C31 | C30 | C27 | C33 | 0.9° | 0.2° |
| C31 | C30 | C27 | C26 | 177.6° | 179.8° |
| C31 | C30 | C29 | H28 | 3.1° | 0.2° |
| C30 | C31 | H29 | H17 | 123.7° | 121.6° |
| C30 | C31 | N32 | H34 | 179.5° | 180.0° |
| N32 | C31 | C30 | C29 | 177.2° | 179.9° |
| N32 | C31 | C30 | C27 | 0.3° | 0.2° |
| C31 | N32 | C33 | H34 | 180.0° | 179.7° |
| C31 | N32 | C33 | C27 | 1.1° | 0.2° |
| C31 | N32 | C33 | O34 | 172.4° | 179.8° |
| N32 | C31 | H29 | H17 | 123.7° | 121.6° |
| C30 | C29 | C28 | H28 | 180.0° | 179.8° |
| C30 | C29 | C28 | C25 | 0.0° | 0.2° |
| C29 | C30 | C27 | C33 | 176.9° | 180.0° |
| C29 | C30 | C27 | C26 | 0.2° | 0.1° |
| C30 | C29 | C28 | H13 | 180.0° | 179.8° |
| C29 | C30 | C31 | H29 | 58.5° | 60.9° |
| C29 | C30 | C31 | H17 | 64.1° | 60.7° |
| C28 | C29 | C30 | C27 | 0.3° | 0.2° |
| C29 | C28 | C25 | H13 | 180.0° | 180.0° |
| C29 | C28 | C25 | C26 | 0.5° | 0.0° |
| C29 | C28 | C25 | C24 | 176.2° | 180.0° |
| N11 | C10 | C9 | H7 | 180.0° | 179.7° |
| N11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | N11 | C12 | C13 | 179.4° | 180.0° |
| C10 | N11 | C12 | C40 | 0.1° | 0.5° |
| N11 | C10 | C9 | H20 | 179.9° | 180.0° |
| C9 | C10 | N11 | C12 | 0.4° | 0.2° |
| C10 | C9 | C8 | H20 | 180.0° | 180.0° |
| C10 | C9 | C8 | C40 | 0.4° | 0.0° |
| C10 | C9 | C8 | N7 | 176.3° | 179.7° |
| C30 | C27 | C33 | N32 | 1.2° | 0.0° |
| C30 | C27 | C33 | C26 | 176.4° | 179.9° |
| C30 | C27 | C33 | O34 | 172.1° | 180.0° |
| C30 | C27 | C26 | C25 | 0.3° | 0.3° |
| C30 | C27 | C26 | H12 | 179.7° | 180.0° |
| C27 | C30 | C29 | H28 | 179.7° | 179.9° |
| C27 | C30 | C31 | H29 | 119.0° | 118.9° |
| C27 | C30 | C31 | H17 | 118.4° | 119.4° |
| N32 | C33 | C27 | O34 | 173.3° | 180.0° |
| N32 | C33 | C27 | C26 | 177.5° | 179.9° |
| C33 | N32 | C31 | H29 | 118.2° | 118.9° |
| C33 | N32 | C31 | H17 | 119.2° | 119.4° |
| C16 | C15 | N14 | H8 | 120.2° | 119.8° |
| C16 | C15 | N14 | H9 | 120.2° | 119.8° |
| C15 | C16 | C17 | H21 | 120.2° | 120.0° |
| C15 | C16 | C17 | H22 | 120.2° | 119.9° |
| C15 | C16 | C17 | C19 | 50.8° | 61.3° |
| C16 | C15 | N14 | C18 | 60.4° | 53.6° |
| C16 | C15 | N14 | C13 | 118.3° | 126.3° |
| C16 | C15 | H8 | H9 | 119.3° | 120.3° |
| C15 | C16 | C17 | H10 | 69.5° | 58.7° |
| C15 | C16 | C17 | H11 | 171.2° | 178.7° |
| C15 | C16 | H21 | H22 | 119.4° | 120.1° |
| N14 | C15 | C16 | C17 | 54.9° | 54.6° |
| C15 | N14 | C18 | C13 | 178.7° | 179.9° |
| C15 | N14 | C13 | C12 | 9.5° | 179.6° |
| C15 | N14 | C18 | C19 | 59.6° | 53.6° |
| C15 | N14 | C13 | O39 | 170.0° | 0.4° |
| N14 | C15 | H8 | H9 | 119.3° | 120.4° |
| N14 | C15 | C16 | H21 | 175.1° | 174.6° |
| N14 | C15 | C16 | H22 | 65.3° | 65.3° |
| C15 | N14 | C18 | H23 | 179.7° | 173.4° |
| C15 | N14 | C18 | H24 | 60.5° | 66.2° |
| C16 | C17 | C19 | H10 | 120.3° | 120.0° |
| C16 | C17 | C19 | H11 | 120.3° | 120.0° |
| C16 | C17 | C19 | C18 | 50.9° | 61.3° |
| C16 | C17 | C19 | C20 | 174.7° | 178.7° |
| C17 | C16 | C15 | H8 | 175.1° | 65.2° |
| C17 | C16 | C15 | H9 | 65.3° | 174.4° |
| C16 | C17 | H10 | H11 | 119.0° | 119.9° |
| C17 | C16 | H21 | H22 | 119.4° | 120.1° |
| C16 | C17 | C19 | H25 | 67.4° | 58.6° |
| N11 | C12 | C13 | N14 | 67.9° | 23.1° |
| N11 | C12 | C13 | C40 | 179.5° | 179.5° |
| N11 | C12 | C40 | C8 | 0.4° | 0.6° |
| N11 | C12 | C13 | O39 | 112.6° | 156.9° |
| C12 | N11 | C10 | H7 | 179.6° | 180.0° |
| N11 | C12 | C40 | H33 | 179.6° | 179.4° |
| C9 | C8 | N7 | C4 | 14.8° | 0.3° |
| C9 | C8 | C40 | C12 | 0.7° | 0.3° |
| C9 | C8 | C40 | N7 | 176.7° | 179.7° |
| C9 | C8 | N7 | C6 | 178.3° | 123.5° |
| C8 | C9 | C10 | H7 | 179.9° | 179.7° |
| C9 | C8 | C40 | H33 | 179.4° | 179.7° |
| C28 | C25 | C26 | C27 | 0.6° | 0.3° |
| C28 | C25 | C26 | C24 | 176.7° | 180.0° |
| C28 | C25 | C24 | C23 | 38.8° | 0.3° |
| C28 | C25 | C24 | C35 | 142.4° | 180.0° |
| C28 | C25 | C26 | H12 | 179.3° | 180.0° |
| C25 | C28 | C29 | H28 | 180.0° | 180.0° |
| C17 | C19 | C18 | N14 | 54.5° | 54.6° |
| C17 | C19 | C18 | C20 | 123.0° | 120.0° |
| C17 | C19 | C18 | H25 | 118.3° | 119.9° |
| C17 | C19 | C20 | H25 | 117.6° | 120.0° |
| C17 | C19 | C20 | O38 | 95.8° | 0.1° |
| C17 | C19 | C20 | N21 | 87.0° | 180.0° |
| C19 | C17 | H10 | H11 | 119.0° | 120.0° |
| C19 | C17 | C16 | H21 | 171.0° | 178.7° |
| C19 | C17 | C16 | H22 | 69.3° | 58.6° |
| C17 | C19 | C18 | H23 | 174.6° | 174.4° |
| C17 | C19 | C18 | H24 | 65.7° | 65.1° |
| C33 | C27 | C26 | C25 | 175.7° | 179.8° |
| C33 | C27 | C26 | H12 | 4.4° | 0.1° |
| C27 | C33 | N32 | H34 | 178.9° | 179.9° |
| C26 | C27 | C33 | O34 | 4.2° | 0.1° |
| C27 | C26 | C25 | H12 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 176.1° | 179.8° |
| O34 | C33 | N32 | H34 | 7.6° | 0.1° |
| C18 | N14 | C13 | C12 | 172.0° | 0.4° |
| N14 | C18 | C19 | H23 | 120.1° | 119.8° |
| N14 | C18 | C19 | H24 | 120.1° | 119.7° |
| C18 | N14 | C13 | O39 | 8.6° | 179.6° |
| N14 | C18 | C19 | C20 | 177.4° | 174.5° |
| C18 | N14 | C15 | H8 | 179.4° | 66.2° |
| C18 | N14 | C15 | H9 | 59.8° | 173.4° |
| N14 | C18 | H23 | H24 | 119.7° | 120.3° |
| N14 | C18 | C19 | H25 | 63.9° | 65.4° |
| N14 | C13 | C12 | O39 | 179.5° | 180.0° |
| N14 | C13 | C12 | C40 | 112.6° | 157.4° |
| C13 | N14 | C18 | C19 | 119.1° | 126.4° |
| C13 | N14 | C15 | H8 | 2.0° | 113.9° |
| C13 | N14 | C15 | H9 | 121.5° | 6.6° |
| C13 | N14 | C18 | H23 | 1.0° | 6.6° |
| C13 | N14 | C18 | H24 | 120.7° | 113.9° |
| N7 | C4 | C3 | H1 | 120.1° | 120.0° |
| N7 | C4 | C3 | H2 | 120.1° | 120.0° |
| C4 | N7 | C8 | C40 | 161.8° | 180.0° |
| C4 | N7 | C8 | C6 | 163.5° | 123.8° |
| N7 | C4 | C3 | N2 | 56.9° | 58.4° |
| C4 | N7 | C6 | C5 | 57.9° | 59.4° |
| N7 | C4 | H1 | H2 | 119.8° | 120.1° |
| C4 | N7 | C6 | H5 | 177.9° | 60.6° |
| C4 | N7 | C6 | H6 | 62.2° | 179.3° |
| N7 | C4 | C3 | H18 | 177.1° | 178.4° |
| N7 | C4 | C3 | H19 | 63.3° | 61.6° |
| C3 | C4 | N7 | C8 | 136.0° | 176.8° |
| C3 | C4 | N7 | C6 | 58.9° | 59.3° |
| C4 | C3 | N2 | H18 | 120.2° | 120.0° |
| C4 | C3 | N2 | H19 | 120.2° | 119.9° |
| C4 | C3 | N2 | C5 | 55.5° | 59.3° |
| C4 | C3 | N2 | C1 | 179.5° | 176.8° |
| C3 | C4 | H1 | H2 | 119.8° | 120.0° |
| C4 | C3 | H18 | H19 | 119.3° | 120.0° |
| C13 | C12 | C40 | C8 | 179.9° | 180.0° |
| C13 | C12 | C40 | H33 | 0.1° | 0.0° |
| C12 | C40 | C8 | H33 | 180.0° | 180.0° |
| C12 | C40 | C8 | N7 | 176.0° | 180.0° |
| C40 | C12 | C13 | O39 | 66.9° | 22.6° |
| C40 | C8 | N7 | C6 | 1.7° | 56.2° |
| C40 | C8 | C9 | H20 | 179.6° | 180.0° |
| C8 | N7 | C6 | C5 | 137.2° | 176.8° |
| C8 | N7 | C4 | H1 | 104.0° | 56.8° |
| C8 | N7 | C4 | H2 | 15.9° | 63.2° |
| C8 | N7 | C6 | H5 | 17.2° | 63.2° |
| C8 | N7 | C6 | H6 | 102.8° | 56.8° |
| N7 | C8 | C9 | H20 | 3.7° | 0.3° |
| N7 | C8 | C40 | H33 | 3.9° | 0.0° |
| C18 | C19 | C20 | H25 | 118.5° | 120.1° |
| C18 | C19 | C20 | O38 | 28.1° | 119.8° |
| C18 | C19 | C20 | N21 | 149.0° | 60.1° |
| C18 | C19 | C17 | H10 | 69.4° | 58.6° |
| C18 | C19 | C17 | H11 | 171.2° | 178.7° |
| C19 | C18 | H23 | H24 | 119.6° | 120.4° |
| C19 | C20 | O38 | N21 | 176.9° | 180.0° |
| C19 | C20 | N21 | C22 | 171.4° | 176.3° |
| C20 | C19 | C17 | H10 | 54.4° | 61.4° |
| C20 | C19 | C17 | H11 | 65.0° | 58.7° |
| C20 | C19 | C18 | H23 | 62.5° | 65.6° |
| C20 | C19 | C18 | H24 | 57.3° | 54.8° |
| C19 | C20 | N21 | H26 | 8.6° | 3.6° |
| C26 | C25 | C24 | C23 | 137.8° | 179.8° |
| C26 | C25 | C24 | C35 | 40.9° | 0.0° |
| C26 | C25 | C28 | H13 | 179.5° | 180.0° |
| C25 | C24 | C23 | C35 | 178.8° | 179.7° |
| C25 | C24 | C23 | C22 | 178.3° | 179.7° |
| C25 | C24 | C35 | C36 | 178.8° | 180.0° |
| C24 | C25 | C26 | H12 | 3.9° | 0.0° |
| C24 | C25 | C28 | H13 | 3.8° | 0.0° |
| C25 | C24 | C23 | H27 | 1.7° | 0.2° |
| C25 | C24 | C35 | H30 | 1.2° | 0.3° |
| O38 | C20 | N21 | C22 | 11.5° | 3.7° |
| O38 | C20 | C19 | H25 | 146.6° | 120.1° |
| O38 | C20 | N21 | H26 | 168.5° | 176.3° |
| N7 | C6 | C5 | H5 | 120.0° | 120.0° |
| N7 | C6 | C5 | H6 | 120.0° | 120.0° |
| N7 | C6 | C5 | N2 | 55.2° | 58.4° |
| C6 | N7 | C4 | H1 | 61.1° | 179.3° |
| C6 | N7 | C4 | H2 | 179.0° | 60.6° |
| N7 | C6 | C5 | H3 | 65.1° | 61.5° |
| N7 | C6 | C5 | H4 | 175.5° | 178.4° |
| N7 | C6 | H5 | H6 | 119.9° | 120.0° |
| C3 | N2 | C5 | C6 | 54.7° | 59.3° |
| C3 | N2 | C5 | C1 | 124.1° | 123.9° |
| N2 | C3 | C4 | H1 | 63.1° | 178.4° |
| N2 | C3 | C4 | H2 | 177.0° | 61.7° |
| C3 | N2 | C5 | H3 | 65.6° | 60.7° |
| C3 | N2 | C5 | H4 | 174.9° | 179.3° |
| C3 | N2 | C1 | H14 | 180.0° | 176.2° |
| C3 | N2 | C1 | H15 | 60.0° | 56.1° |
| C3 | N2 | C1 | H16 | 60.0° | 63.8° |
| N2 | C3 | H18 | H19 | 119.4° | 120.0° |
| C20 | N21 | C22 | C23 | 40.4° | 144.5° |
| C20 | N21 | C22 | H26 | 180.0° | 180.0° |
| C20 | N21 | C22 | C37 | 133.5° | 35.7° |
| N21 | C20 | C19 | H25 | 30.6° | 60.0° |
| C24 | C23 | C22 | H27 | 180.0° | 180.0° |
| C24 | C23 | C22 | N21 | 173.2° | 179.7° |
| C24 | C23 | C22 | C37 | 0.8° | 0.0° |
| C23 | C24 | C35 | C36 | 0.1° | 0.3° |
| C23 | C24 | C35 | H30 | 180.0° | 180.0° |
| C22 | C23 | C24 | C35 | 0.6° | 0.0° |
| C23 | C22 | N21 | C37 | 173.9° | 179.8° |
| C23 | C22 | C37 | C36 | 0.6° | 0.3° |
| C23 | C22 | N21 | H26 | 139.6° | 35.4° |
| C23 | C22 | C37 | H32 | 179.4° | 179.8° |
| C24 | C35 | C36 | H30 | 180.0° | 179.7° |
| C24 | C35 | C36 | C37 | 0.2° | 0.6° |
| C35 | C24 | C23 | H27 | 179.4° | 180.0° |
| C24 | C35 | C36 | H31 | 179.9° | 180.0° |
| C6 | C5 | N2 | H3 | 120.3° | 119.9° |
| C6 | C5 | N2 | H4 | 120.3° | 120.0° |
| C6 | C5 | N2 | C1 | 178.8° | 176.8° |
| C6 | C5 | H3 | H4 | 119.2° | 120.1° |
| C5 | C6 | H5 | H6 | 119.9° | 120.1° |
| N21 | C22 | C37 | C36 | 173.2° | 180.0° |
| N21 | C22 | C23 | H27 | 6.8° | 0.2° |
| N21 | C22 | C37 | H32 | 6.8° | 0.0° |
| N2 | C5 | H3 | H4 | 119.2° | 120.1° |
| N2 | C5 | C6 | H5 | 175.2° | 61.6° |
| N2 | C5 | C6 | H6 | 64.8° | 178.4° |
| C5 | N2 | C1 | H14 | 56.2° | 60.0° |
| C5 | N2 | C1 | H15 | 176.2° | 180.0° |
| C5 | N2 | C1 | H16 | 63.8° | 60.0° |
| C5 | N2 | C3 | H18 | 175.7° | 179.3° |
| C5 | N2 | C3 | H19 | 64.7° | 60.7° |
| C1 | N2 | C5 | H3 | 58.5° | 63.3° |
| C1 | N2 | C5 | H4 | 61.0° | 56.8° |
| N2 | C1 | H14 | H15 | 120.0° | 120.0° |
| N2 | C1 | H14 | H16 | 120.0° | 120.0° |
| N2 | C1 | H15 | H16 | 120.0° | 119.9° |
| C1 | N2 | C3 | H18 | 60.3° | 56.8° |
| C1 | N2 | C3 | H19 | 59.3° | 63.3° |
| C22 | C37 | C36 | C35 | 0.1° | 0.6° |
| C22 | C37 | C36 | H32 | 180.0° | 179.9° |
| C37 | C22 | N21 | H26 | 46.5° | 144.3° |
| C37 | C22 | C23 | H27 | 179.1° | 180.0° |
| C22 | C37 | C36 | H31 | 179.9° | 180.0° |
| C35 | C36 | C37 | H31 | 180.0° | 179.4° |
| C35 | C36 | C37 | H32 | 179.9° | 179.5° |
| C37 | C36 | C35 | H30 | 179.8° | 179.7° |
| H1 | C4 | C3 | H18 | 57.1° | 61.6° |
| H1 | C4 | C3 | H19 | 176.6° | 58.5° |
| H2 | C4 | C3 | H18 | 62.8° | 58.4° |
| H2 | C4 | C3 | H19 | 56.8° | 178.4° |
| H3 | C5 | C6 | H5 | 55.0° | 178.5° |
| H3 | C5 | C6 | H6 | 174.9° | 58.5° |
| H4 | C5 | C6 | H5 | 64.5° | 58.4° |
| H4 | C5 | C6 | H6 | 55.4° | 61.6° |
| H7 | C10 | C9 | H20 | 0.1° | 0.3° |
| H8 | C15 | C16 | H21 | 64.7° | 54.8° |
| H8 | C15 | C16 | H22 | 55.0° | 174.9° |
| H9 | C15 | C16 | H21 | 54.9° | 65.6° |
| H9 | C15 | C16 | H22 | 174.5° | 54.5° |
| H10 | C17 | C16 | H21 | 50.7° | 61.3° |
| H10 | C17 | C16 | H22 | 170.3° | 178.6° |
| H10 | C17 | C19 | H25 | 172.2° | 178.6° |
| H11 | C17 | C16 | H21 | 68.6° | 58.7° |
| H11 | C17 | C16 | H22 | 51.0° | 61.4° |
| H11 | C17 | C19 | H25 | 52.9° | 61.4° |
| H13 | C28 | C29 | H28 | 0.0° | 0.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H23 | C18 | C19 | H25 | 56.3° | 54.5° |
| H24 | C18 | C19 | H25 | 176.0° | 174.9° |
| H29 | C31 | N32 | H34 | 61.8° | 60.8° |
| H30 | C35 | C36 | H31 | 0.2° | 0.3° |
| H31 | C36 | C37 | H32 | 0.1° | 0.1° |
| H17 | C31 | N32 | H34 | 60.8° | 60.9° |
