A1AZ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N20 | sing | 1.47Å | 1.49Å | |
| C22 | N20 | sing | 1.47Å | 1.49Å | |
| N20 | C19 | sing | 1.47Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | N14 | sing | 1.47Å | 1.45Å | |
| N14 | C13 | sing | 1.38Å | 1.35Å | |
| C13 | N12 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | N23 | sing | 1.32Å | 1.35Å | Aromatic |
| N12 | C11 | sing | 1.33Å | 1.33Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | N10 | sing | 1.47Å | 1.46Å | |
| N23 | C24 | doub | 1.34Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C11 | N10 | sing | 1.38Å | 1.34Å | |
| C11 | C25 | doub | 1.42Å | 1.45Å | Aromatic |
| C24 | C25 | sing | 1.42Å | 1.41Å | Aromatic |
| C24 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C38 | C37 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.47Å | 1.50Å | |
| C27 | N28 | sing | 1.40Å | 1.42Å | |
| C3 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C1 | sing | 1.47Å | 1.49Å | |
| N28 | C29 | sing | 1.35Å | 1.35Å | |
| C29 | O36 | doub | 1.22Å | 1.24Å | |
| C29 | C30 | sing | 1.47Å | 1.48Å | |
| C30 | C31 | doub | 1.33Å | 1.33Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | N33 | sing | 1.47Å | 1.51Å | |
| N33 | C35 | sing | 1.47Å | 1.49Å | |
| N33 | C34 | sing | 1.47Å | 1.49Å | |
| 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 | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| N10 | H31 | sing | 0.97Å | 1.00Å | |
| N14 | H32 | sing | 0.97Å | 1.00Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| N28 | H40 | sing | 0.97Å | 1.00Å | |
| C30 | H41 | sing | 1.08Å | 1.08Å | |
| C31 | H42 | sing | 1.08Å | 1.08Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.08Å | 1.08Å | |
| C38 | H53 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N20 | C22 | 110.7° | 110.9° |
| C21 | N20 | C19 | 112.0° | 111.0° |
| N20 | C21 | H15 | 109.5° | 109.5° |
| N20 | C21 | H16 | 109.5° | 109.5° |
| N20 | C21 | H17 | 109.4° | 109.5° |
| C22 | N20 | C19 | 112.5° | 111.0° |
| N20 | C22 | H18 | 109.5° | 109.5° |
| N20 | C22 | H19 | 109.5° | 109.4° |
| N20 | C22 | H20 | 109.4° | 109.5° |
| N20 | C19 | C18 | 113.9° | 109.5° |
| N20 | C19 | H37 | 108.3° | 109.5° |
| N20 | C19 | H38 | 108.3° | 109.5° |
| C19 | C18 | C17 | 111.6° | 109.5° |
| C19 | C18 | H35 | 109.0° | 109.5° |
| C19 | C18 | H36 | 108.9° | 109.5° |
| C18 | C19 | H37 | 108.4° | 109.5° |
| C18 | C19 | H38 | 108.4° | 109.5° |
| C18 | C17 | C16 | 113.2° | 109.5° |
| C18 | C17 | H13 | 108.6° | 109.4° |
| C18 | C17 | H14 | 108.6° | 109.4° |
| C17 | C18 | H35 | 108.9° | 109.4° |
| C17 | C18 | H36 | 108.9° | 109.4° |
| C17 | C16 | C15 | 113.6° | 109.4° |
| C16 | C17 | H13 | 108.5° | 109.5° |
| C16 | C17 | H14 | 108.5° | 109.5° |
| C17 | C16 | H33 | 108.5° | 109.5° |
| C17 | C16 | H34 | 108.4° | 109.5° |
| C16 | C15 | N14 | 110.4° | 109.4° |
| C16 | C15 | H11 | 109.2° | 109.4° |
| C16 | C15 | H12 | 109.3° | 109.5° |
| C15 | C16 | H33 | 108.4° | 109.5° |
| C15 | C16 | H34 | 108.4° | 109.5° |
| C15 | N14 | C13 | 126.1° | 120.0° |
| N14 | C15 | H11 | 109.3° | 109.5° |
| N14 | C15 | H12 | 109.2° | 109.5° |
| C15 | N14 | H32 | 105.2° | 120.1° |
| N14 | C13 | N12 | 116.9° | 118.6° |
| N14 | C13 | N23 | 116.3° | 118.6° |
| C13 | N14 | H32 | 105.2° | 120.0° |
| N12 | C13 | N23 | 126.8° | 122.8° |
| C13 | N12 | C11 | 118.0° | 121.4° |
| C13 | N23 | C24 | 115.8° | 120.4° |
| N12 | C11 | N10 | 117.2° | 120.9° |
| N12 | C11 | C25 | 121.2° | 118.3° |
| C8 | C9 | N10 | 113.1° | 109.5° |
| C9 | C8 | C7 | 113.1° | 109.5° |
| C9 | C8 | H9 | 108.6° | 109.4° |
| C9 | C8 | H10 | 108.6° | 109.5° |
| C8 | C9 | H29 | 108.6° | 109.5° |
| C8 | C9 | H30 | 108.6° | 109.5° |
| C9 | N10 | C11 | 123.1° | 120.0° |
| N10 | C9 | H29 | 108.6° | 109.5° |
| N10 | C9 | H30 | 108.6° | 109.5° |
| C9 | N10 | H31 | 106.0° | 120.0° |
| N23 | C24 | C25 | 122.4° | 118.7° |
| N23 | C24 | C38 | 118.7° | 121.8° |
| C8 | C7 | C6 | 112.4° | 109.5° |
| C8 | C7 | H7 | 108.7° | 109.5° |
| C8 | C7 | H8 | 108.7° | 109.5° |
| C7 | C8 | H9 | 108.6° | 109.5° |
| C7 | C8 | H10 | 108.6° | 109.5° |
| N10 | C11 | C25 | 121.6° | 120.8° |
| C11 | N10 | H31 | 106.0° | 120.0° |
| C11 | C25 | C24 | 115.7° | 118.3° |
| C11 | C25 | C26 | 125.5° | 122.0° |
| C25 | C24 | C38 | 118.9° | 119.5° |
| C24 | C25 | C26 | 118.7° | 119.7° |
| C24 | C38 | C37 | 120.8° | 119.9° |
| C24 | C38 | H53 | 119.6° | 120.1° |
| C7 | C6 | C5 | 113.4° | 109.4° |
| C7 | C6 | H5 | 108.5° | 109.5° |
| C7 | C6 | H6 | 108.5° | 109.4° |
| C6 | C7 | H7 | 108.7° | 109.5° |
| C6 | C7 | H8 | 108.8° | 109.5° |
| C25 | C26 | C27 | 121.2° | 119.4° |
| C25 | C26 | H21 | 119.4° | 120.2° |
| C38 | C37 | C27 | 121.0° | 120.9° |
| C38 | C37 | H52 | 119.5° | 119.5° |
| C37 | C38 | H53 | 119.6° | 120.1° |
| C6 | C5 | C4 | 110.5° | 109.4° |
| C6 | C5 | H3 | 109.2° | 109.5° |
| C6 | C5 | H4 | 109.2° | 109.5° |
| C5 | C6 | H5 | 108.5° | 109.4° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C5 | C4 | N2 | 113.8° | 109.5° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C5 | C4 | H2 | 108.4° | 109.5° |
| C4 | C5 | H3 | 109.2° | 109.5° |
| C4 | C5 | H4 | 109.2° | 109.5° |
| C26 | C27 | C37 | 119.5° | 120.5° |
| C26 | C27 | N28 | 119.1° | 119.7° |
| C27 | C26 | H21 | 119.4° | 120.3° |
| C37 | C27 | N28 | 121.4° | 119.7° |
| C27 | C37 | H52 | 119.5° | 119.5° |
| C4 | N2 | C3 | 112.9° | 111.0° |
| C4 | N2 | C1 | 112.5° | 111.0° |
| N2 | C4 | H1 | 108.4° | 109.5° |
| N2 | C4 | H2 | 108.3° | 109.5° |
| C27 | N28 | C29 | 127.3° | 120.0° |
| C27 | N28 | H40 | 116.3° | 120.0° |
| C3 | N2 | C1 | 110.9° | 111.0° |
| N2 | C3 | H26 | 109.5° | 109.5° |
| N2 | C3 | H27 | 109.5° | 109.5° |
| N2 | C3 | H28 | 109.5° | 109.4° |
| N2 | C1 | H22 | 109.5° | 109.5° |
| N2 | C1 | H23 | 109.4° | 109.5° |
| N2 | C1 | H24 | 109.5° | 109.5° |
| N28 | C29 | O36 | 122.8° | 120.0° |
| N28 | C29 | C30 | 114.4° | 120.0° |
| C29 | N28 | H40 | 116.3° | 120.0° |
| O36 | C29 | C30 | 122.8° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C29 | C30 | H41 | 120.1° | 120.0° |
| C30 | C31 | C32 | 124.1° | 120.0° |
| C31 | C30 | H41 | 120.1° | 120.0° |
| C30 | C31 | H42 | 118.0° | 120.0° |
| C31 | C32 | N33 | 111.8° | 109.5° |
| C32 | C31 | H42 | 117.9° | 120.0° |
| C31 | C32 | H43 | 108.9° | 109.5° |
| C31 | C32 | H44 | 108.9° | 109.5° |
| C32 | N33 | C35 | 111.3° | 111.0° |
| C32 | N33 | C34 | 111.4° | 111.0° |
| N33 | C32 | H43 | 108.9° | 109.5° |
| N33 | C32 | H44 | 108.9° | 109.5° |
| C35 | N33 | C34 | 110.8° | 111.1° |
| N33 | C35 | H49 | 109.5° | 109.5° |
| N33 | C35 | H50 | 109.5° | 109.5° |
| N33 | C35 | H51 | 109.5° | 109.4° |
| N33 | C34 | H46 | 109.5° | 109.5° |
| N33 | C34 | H47 | 109.4° | 109.4° |
| N33 | C34 | H48 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.4° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.4° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H24 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.5° |
| H26 | C3 | H27 | 109.4° | 109.4° |
| H26 | C3 | H28 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.5° |
| H33 | C16 | H34 | 109.5° | 109.4° |
| H35 | C18 | H36 | 109.5° | 109.5° |
| H37 | C19 | H38 | 109.5° | 109.4° |
| H43 | C32 | H44 | 109.5° | 109.4° |
| H46 | C34 | H47 | 109.4° | 109.5° |
| H46 | C34 | H48 | 109.5° | 109.5° |
| H47 | C34 | H48 | 109.5° | 109.5° |
| H49 | C35 | H50 | 109.4° | 109.5° |
| H49 | C35 | H51 | 109.5° | 109.5° |
| H50 | C35 | H51 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | N20 | C22 | C19 | 126.1° | 123.9° |
| C21 | N20 | C19 | C18 | 167.4° | 66.1° |
| N20 | C21 | H15 | H16 | 120.0° | 120.0° |
| N20 | C21 | H15 | H17 | 120.0° | 120.1° |
| N20 | C21 | H16 | H17 | 120.0° | 120.1° |
| C21 | N20 | C22 | H18 | 180.0° | 64.0° |
| C21 | N20 | C22 | H19 | 60.0° | 176.1° |
| C21 | N20 | C22 | H20 | 60.0° | 56.1° |
| C21 | N20 | C19 | H37 | 71.9° | 53.9° |
| C21 | N20 | C19 | H38 | 46.8° | 173.9° |
| C22 | N20 | C19 | C18 | 67.1° | 170.1° |
| C22 | N20 | C21 | H15 | 180.0° | 60.1° |
| C22 | N20 | C21 | H16 | 60.0° | 180.0° |
| C22 | N20 | C21 | H17 | 60.0° | 60.0° |
| N20 | C22 | H18 | H19 | 120.0° | 119.9° |
| N20 | C22 | H18 | H20 | 120.0° | 120.1° |
| N20 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | N20 | C19 | H37 | 53.5° | 69.9° |
| C22 | N20 | C19 | H38 | 172.2° | 50.0° |
| N20 | C19 | C18 | H37 | 120.7° | 120.0° |
| N20 | C19 | C18 | H38 | 120.6° | 120.0° |
| N20 | C19 | C18 | C17 | 178.2° | 180.0° |
| C19 | N20 | C21 | H15 | 53.5° | 176.0° |
| C19 | N20 | C21 | H16 | 66.5° | 56.1° |
| C19 | N20 | C21 | H17 | 173.6° | 63.9° |
| C19 | N20 | C22 | H18 | 53.9° | 60.0° |
| C19 | N20 | C22 | H19 | 173.9° | 60.0° |
| C19 | N20 | C22 | H20 | 66.1° | 180.0° |
| N20 | C19 | C18 | H35 | 57.8° | 60.0° |
| N20 | C19 | C18 | H36 | 61.5° | 60.0° |
| N20 | C19 | H37 | H38 | 117.9° | 120.0° |
| C19 | C18 | C17 | H35 | 120.3° | 120.0° |
| C19 | C18 | C17 | H36 | 120.3° | 120.0° |
| C19 | C18 | C17 | C16 | 179.8° | 180.0° |
| C19 | C18 | C17 | H13 | 59.6° | 60.0° |
| C19 | C18 | C17 | H14 | 59.3° | 60.0° |
| C19 | C18 | H35 | H36 | 119.0° | 120.1° |
| C18 | C19 | H37 | H38 | 118.0° | 120.0° |
| C18 | C17 | C16 | H13 | 120.6° | 120.0° |
| C18 | C17 | C16 | H14 | 120.6° | 119.9° |
| C18 | C17 | C16 | C15 | 173.3° | 180.0° |
| C18 | C17 | H13 | H14 | 118.3° | 120.0° |
| C18 | C17 | C16 | H33 | 52.7° | 60.0° |
| C18 | C17 | C16 | H34 | 66.1° | 60.0° |
| C17 | C18 | H35 | H36 | 119.0° | 119.9° |
| C17 | C18 | C19 | H37 | 61.2° | 60.0° |
| C17 | C18 | C19 | H38 | 57.5° | 60.0° |
| C17 | C16 | C15 | H33 | 120.6° | 120.0° |
| C17 | C16 | C15 | H34 | 120.6° | 120.0° |
| C17 | C16 | C15 | N14 | 64.0° | 180.0° |
| C17 | C16 | C15 | H11 | 56.2° | 60.0° |
| C17 | C16 | C15 | H12 | 175.9° | 60.1° |
| C16 | C17 | H13 | H14 | 118.3° | 120.0° |
| C17 | C16 | H33 | H34 | 118.2° | 120.0° |
| C16 | C17 | C18 | H35 | 59.5° | 60.0° |
| C16 | C17 | C18 | H36 | 59.9° | 60.0° |
| C16 | C15 | N14 | H11 | 120.1° | 119.9° |
| C16 | C15 | N14 | H12 | 120.2° | 120.0° |
| C16 | C15 | N14 | C13 | 151.6° | 180.0° |
| C16 | C15 | H11 | H12 | 119.6° | 120.0° |
| C15 | C16 | C17 | H13 | 66.1° | 60.0° |
| C15 | C16 | C17 | H14 | 52.8° | 60.1° |
| C16 | C15 | N14 | H32 | 86.2° | 0.0° |
| C15 | C16 | H33 | H34 | 118.1° | 120.0° |
| C15 | N14 | C13 | H32 | 122.3° | 179.9° |
| C15 | N14 | C13 | N12 | 1.2° | 180.0° |
| C15 | N14 | C13 | N23 | 178.0° | 0.1° |
| N14 | C15 | H11 | H12 | 119.5° | 120.0° |
| N14 | C15 | C16 | H33 | 175.4° | 60.0° |
| N14 | C15 | C16 | H34 | 56.6° | 60.0° |
| N14 | C13 | N12 | N23 | 179.2° | 179.9° |
| N14 | C13 | N12 | C11 | 178.8° | 180.0° |
| N14 | C13 | N23 | C24 | 179.2° | 180.0° |
| C13 | N14 | C15 | H11 | 31.5° | 60.1° |
| C13 | N14 | C15 | H12 | 88.2° | 60.0° |
| N12 | C13 | N23 | C24 | 0.0° | 0.1° |
| C13 | N12 | C11 | N10 | 178.2° | 180.0° |
| C13 | N12 | C11 | C25 | 0.1° | 0.1° |
| N12 | C13 | N14 | H32 | 123.5° | 0.1° |
| N23 | C13 | N12 | C11 | 0.4° | 0.1° |
| C13 | N23 | C24 | C25 | 0.6° | 0.0° |
| C13 | N23 | C24 | C38 | 177.9° | 180.0° |
| N23 | C13 | N14 | H32 | 55.8° | 180.0° |
| N12 | C11 | N10 | C9 | 6.3° | 0.0° |
| N12 | C11 | N10 | C25 | 178.1° | 179.9° |
| N12 | C11 | C25 | C24 | 0.4° | 0.1° |
| N12 | C11 | C25 | C26 | 178.2° | 180.0° |
| N12 | C11 | N10 | H31 | 128.2° | 180.0° |
| C8 | C9 | N10 | H29 | 120.5° | 120.0° |
| C8 | C9 | N10 | H30 | 120.5° | 120.0° |
| C9 | C8 | C7 | H9 | 120.6° | 120.0° |
| C9 | C8 | C7 | H10 | 120.5° | 120.0° |
| C8 | C9 | N10 | C11 | 157.1° | 180.0° |
| C9 | C8 | C7 | C6 | 179.4° | 180.0° |
| C9 | C8 | C7 | H7 | 59.0° | 60.0° |
| C9 | C8 | C7 | H8 | 60.1° | 60.0° |
| C9 | C8 | H9 | H10 | 118.3° | 120.0° |
| C8 | C9 | H29 | H30 | 118.4° | 120.0° |
| C8 | C9 | N10 | H31 | 81.0° | 0.0° |
| N10 | C9 | C8 | C7 | 80.6° | 180.0° |
| C9 | N10 | C11 | H31 | 121.9° | 179.9° |
| C9 | N10 | C11 | C25 | 171.8° | 180.0° |
| N10 | C9 | C8 | H9 | 39.9° | 60.0° |
| N10 | C9 | C8 | H10 | 158.8° | 60.0° |
| N10 | C9 | H29 | H30 | 118.4° | 120.0° |
| N23 | C24 | C25 | C11 | 0.8° | 0.0° |
| N23 | C24 | C25 | C38 | 178.5° | 180.0° |
| N23 | C24 | C25 | C26 | 178.7° | 180.0° |
| N23 | C24 | C38 | C37 | 178.7° | 180.0° |
| N23 | C24 | C38 | H53 | 1.4° | 0.0° |
| C8 | C7 | C6 | H7 | 120.4° | 120.1° |
| C8 | C7 | C6 | H8 | 120.4° | 120.0° |
| C8 | C7 | C6 | C5 | 172.4° | 180.0° |
| C8 | C7 | C6 | H5 | 67.0° | 60.0° |
| C8 | C7 | C6 | H6 | 51.9° | 60.1° |
| C8 | C7 | H7 | H8 | 118.7° | 120.0° |
| C7 | C8 | H9 | H10 | 118.3° | 120.0° |
| C7 | C8 | C9 | H29 | 39.9° | 60.0° |
| C7 | C8 | C9 | H30 | 158.8° | 60.0° |
| N10 | C11 | C25 | C24 | 177.6° | 180.0° |
| N10 | C11 | C25 | C26 | 0.2° | 0.0° |
| C11 | N10 | C9 | H29 | 36.6° | 60.0° |
| C11 | N10 | C9 | H30 | 82.3° | 60.0° |
| C11 | C25 | C24 | C26 | 177.9° | 180.0° |
| C11 | C25 | C24 | C38 | 177.7° | 180.0° |
| C11 | C25 | C26 | C27 | 177.5° | 180.0° |
| C11 | C25 | C26 | H21 | 2.5° | 0.1° |
| C25 | C11 | N10 | H31 | 49.9° | 0.1° |
| C25 | C24 | C38 | C37 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C24 | C25 | C26 | H21 | 179.8° | 180.0° |
| C25 | C24 | C38 | H53 | 179.9° | 180.0° |
| C38 | C24 | C25 | C26 | 0.2° | 0.0° |
| C24 | C38 | C37 | H53 | 180.0° | 180.0° |
| C24 | C38 | C37 | C27 | 0.1° | 0.0° |
| C24 | C38 | C37 | H52 | 179.9° | 180.0° |
| C7 | C6 | C5 | H5 | 120.6° | 120.0° |
| C7 | C6 | C5 | H6 | 120.6° | 119.9° |
| C7 | C6 | C5 | C4 | 172.7° | 180.0° |
| C7 | C6 | C5 | H3 | 52.5° | 60.0° |
| C7 | C6 | C5 | H4 | 67.1° | 60.0° |
| C7 | C6 | H5 | H6 | 118.2° | 120.0° |
| C6 | C7 | H7 | H8 | 118.7° | 120.0° |
| C6 | C7 | C8 | H9 | 60.0° | 60.0° |
| C6 | C7 | C8 | H10 | 58.9° | 60.0° |
| C25 | C26 | C27 | H21 | 180.0° | 180.0° |
| C25 | C26 | C27 | C37 | 0.0° | 0.0° |
| C25 | C26 | C27 | N28 | 179.4° | 180.0° |
| C38 | C37 | C27 | C26 | 0.2° | 0.0° |
| C38 | C37 | C27 | H52 | 180.0° | 180.0° |
| C38 | C37 | C27 | N28 | 179.6° | 180.0° |
| C6 | C5 | C4 | H3 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 120.2° | 120.0° |
| C6 | C5 | C4 | N2 | 161.1° | 180.0° |
| C6 | C5 | C4 | H1 | 40.4° | 60.0° |
| C6 | C5 | C4 | H2 | 78.3° | 60.0° |
| C6 | C5 | H3 | H4 | 119.5° | 120.0° |
| C5 | C6 | H5 | H6 | 118.2° | 120.0° |
| C5 | C6 | C7 | H7 | 52.0° | 59.9° |
| C5 | C6 | C7 | H8 | 67.1° | 60.0° |
| C5 | C4 | N2 | H1 | 120.6° | 120.0° |
| C5 | C4 | N2 | H2 | 120.6° | 120.1° |
| C5 | C4 | N2 | C3 | 74.3° | 170.0° |
| C5 | C4 | N2 | C1 | 159.3° | 66.0° |
| C5 | C4 | H1 | H2 | 118.0° | 120.0° |
| C4 | C5 | H3 | H4 | 119.5° | 120.0° |
| C4 | C5 | C6 | H5 | 66.8° | 60.0° |
| C4 | C5 | C6 | H6 | 52.1° | 60.1° |
| C26 | C27 | C37 | N28 | 179.4° | 180.0° |
| C26 | C27 | N28 | C29 | 34.1° | 144.8° |
| C26 | C27 | N28 | H40 | 145.9° | 35.2° |
| C26 | C27 | C37 | H52 | 179.8° | 180.0° |
| C37 | C27 | N28 | C29 | 146.5° | 35.1° |
| C37 | C27 | C26 | H21 | 180.0° | 180.0° |
| C37 | C27 | N28 | H40 | 33.5° | 144.9° |
| C27 | C37 | C38 | H53 | 179.9° | 180.0° |
| C4 | N2 | C3 | C1 | 127.3° | 124.0° |
| N2 | C4 | H1 | H2 | 118.0° | 120.0° |
| N2 | C4 | C5 | H3 | 78.8° | 59.9° |
| N2 | C4 | C5 | H4 | 40.9° | 60.0° |
| C4 | N2 | C1 | H22 | 180.0° | 60.0° |
| C4 | N2 | C1 | H23 | 60.0° | 180.0° |
| C4 | N2 | C1 | H24 | 60.0° | 60.0° |
| C4 | N2 | C3 | H26 | 180.0° | 60.0° |
| C4 | N2 | C3 | H27 | 60.0° | 180.0° |
| C4 | N2 | C3 | H28 | 60.0° | 60.0° |
| C27 | N28 | C29 | H40 | 180.0° | 180.0° |
| C27 | N28 | C29 | O36 | 6.8° | 4.5° |
| C27 | N28 | C29 | C30 | 174.7° | 175.4° |
| N28 | C27 | C26 | H21 | 0.6° | 0.0° |
| N28 | C27 | C37 | H52 | 0.4° | 0.0° |
| C3 | N2 | C4 | H1 | 165.0° | 70.0° |
| C3 | N2 | C4 | H2 | 46.3° | 49.9° |
| C3 | N2 | C1 | H22 | 52.6° | 64.0° |
| C3 | N2 | C1 | H23 | 172.6° | 56.0° |
| C3 | N2 | C1 | H24 | 67.5° | 176.0° |
| N2 | C3 | H26 | H27 | 120.0° | 120.0° |
| N2 | C3 | H26 | H28 | 120.0° | 120.0° |
| N2 | C3 | H27 | H28 | 120.0° | 120.0° |
| C1 | N2 | C4 | H1 | 38.6° | 54.0° |
| C1 | N2 | C4 | H2 | 80.1° | 173.9° |
| N2 | C1 | H22 | H23 | 120.0° | 120.0° |
| N2 | C1 | H22 | H24 | 120.0° | 120.0° |
| N2 | C1 | H23 | H24 | 120.0° | 120.0° |
| C1 | N2 | C3 | H26 | 52.7° | 176.0° |
| C1 | N2 | C3 | H27 | 67.2° | 56.0° |
| C1 | N2 | C3 | H28 | 172.7° | 64.0° |
| N28 | C29 | O36 | C30 | 178.4° | 180.0° |
| N28 | C29 | C30 | C31 | 139.3° | 180.0° |
| N28 | C29 | C30 | H41 | 40.7° | 0.0° |
| O36 | C29 | C30 | C31 | 42.2° | 0.0° |
| O36 | C29 | N28 | H40 | 173.1° | 175.5° |
| O36 | C29 | C30 | H41 | 137.8° | 180.0° |
| C29 | C30 | C31 | H41 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 173.2° | 180.0° |
| C30 | C29 | N28 | H40 | 5.3° | 4.6° |
| C29 | C30 | C31 | H42 | 6.8° | 0.0° |
| C30 | C31 | C32 | H42 | 180.0° | 180.0° |
| C30 | C31 | C32 | N33 | 59.3° | 125.0° |
| C30 | C31 | C32 | H43 | 61.1° | 115.0° |
| C30 | C31 | C32 | H44 | 179.6° | 5.0° |
| C31 | C32 | N33 | H43 | 120.4° | 120.0° |
| C31 | C32 | N33 | H44 | 120.3° | 120.0° |
| C31 | C32 | N33 | C35 | 62.3° | 170.0° |
| C31 | C32 | N33 | C34 | 173.5° | 66.0° |
| C32 | C31 | C30 | H41 | 6.8° | 0.0° |
| C31 | C32 | H43 | H44 | 118.9° | 120.0° |
| C32 | N33 | C35 | C34 | 124.5° | 124.0° |
| N33 | C32 | C31 | H42 | 120.8° | 55.0° |
| N33 | C32 | H43 | H44 | 118.9° | 120.0° |
| C32 | N33 | C34 | H46 | 180.0° | 60.1° |
| C32 | N33 | C34 | H47 | 60.0° | 180.0° |
| C32 | N33 | C34 | H48 | 60.0° | 60.0° |
| C32 | N33 | C35 | H49 | 180.0° | 60.0° |
| C32 | N33 | C35 | H50 | 60.0° | 180.0° |
| C32 | N33 | C35 | H51 | 60.0° | 60.1° |
| C35 | N33 | C32 | H43 | 177.3° | 70.0° |
| C35 | N33 | C32 | H44 | 58.0° | 50.0° |
| C35 | N33 | C34 | H46 | 55.6° | 63.9° |
| C35 | N33 | C34 | H47 | 175.6° | 56.1° |
| C35 | N33 | C34 | H48 | 64.4° | 176.1° |
| N33 | C35 | H49 | H50 | 120.0° | 120.0° |
| N33 | C35 | H49 | H51 | 120.0° | 120.0° |
| N33 | C35 | H50 | H51 | 120.0° | 119.9° |
| C34 | N33 | C32 | H43 | 53.1° | 54.0° |
| C34 | N33 | C32 | H44 | 66.2° | 174.0° |
| N33 | C34 | H46 | H47 | 120.0° | 119.9° |
| N33 | C34 | H46 | H48 | 120.0° | 120.1° |
| N33 | C34 | H47 | H48 | 120.0° | 120.0° |
| C34 | N33 | C35 | H49 | 55.5° | 176.1° |
| C34 | N33 | C35 | H50 | 64.5° | 56.1° |
| C34 | N33 | C35 | H51 | 175.5° | 63.9° |
| H1 | C4 | C5 | H3 | 160.6° | 60.0° |
| H1 | C4 | C5 | H4 | 79.8° | 180.0° |
| H2 | C4 | C5 | H3 | 41.9° | 180.0° |
| H2 | C4 | C5 | H4 | 161.5° | 60.0° |
| H3 | C5 | C6 | H5 | 173.1° | 180.0° |
| H3 | C5 | C6 | H6 | 68.0° | 59.9° |
| H4 | C5 | C6 | H5 | 53.4° | 60.0° |
| H4 | C5 | C6 | H6 | 172.3° | 180.0° |
| H5 | C6 | C7 | H7 | 172.6° | 179.9° |
| H5 | C6 | C7 | H8 | 53.5° | 60.0° |
| H6 | C6 | C7 | H7 | 68.6° | 60.0° |
| H6 | C6 | C7 | H8 | 172.3° | 180.0° |
| H7 | C7 | C8 | H9 | 179.5° | 180.0° |
| H7 | C7 | C8 | H10 | 61.6° | 60.0° |
| H8 | C7 | C8 | H9 | 60.4° | 60.0° |
| H8 | C7 | C8 | H10 | 179.3° | NaN° |
| H9 | C8 | C9 | H29 | 160.5° | 180.0° |
| H9 | C8 | C9 | H30 | 80.6° | 60.0° |
| H10 | C8 | C9 | H29 | 80.6° | 60.0° |
| H10 | C8 | C9 | H30 | 38.3° | 180.0° |
| H11 | C15 | N14 | H32 | 153.7° | 120.0° |
| H11 | C15 | C16 | H33 | 64.4° | 180.0° |
| H11 | C15 | C16 | H34 | 176.8° | 60.0° |
| H12 | C15 | N14 | H32 | 34.0° | 120.0° |
| H12 | C15 | C16 | H33 | 55.3° | 60.0° |
| H12 | C15 | C16 | H34 | 63.5° | 180.0° |
| H13 | C17 | C16 | H33 | 173.3° | 179.9° |
| H13 | C17 | C16 | H34 | 54.5° | 60.0° |
| H13 | C17 | C18 | H35 | 179.9° | 180.0° |
| H13 | C17 | C18 | H36 | 60.7° | 60.0° |
| H14 | C17 | C16 | H33 | 67.8° | 60.0° |
| H14 | C17 | C16 | H34 | 173.4° | 179.9° |
| H14 | C17 | C18 | H35 | 61.0° | 60.0° |
| H14 | C17 | C18 | H36 | 179.6° | 180.0° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H22 | C1 | H23 | H24 | 120.0° | 120.0° |
| H26 | C3 | H27 | H28 | 120.0° | 120.0° |
| H29 | C9 | N10 | H31 | 158.5° | 120.0° |
| H30 | C9 | N10 | H31 | 39.5° | 120.0° |
| H35 | C18 | C19 | H37 | 178.5° | NaN° |
| H35 | C18 | C19 | H38 | 62.8° | 60.0° |
| H36 | C18 | C19 | H37 | 59.1° | 60.0° |
| H36 | C18 | C19 | H38 | 177.8° | 180.0° |
| H41 | C30 | C31 | H42 | 173.2° | 180.0° |
| H42 | C31 | C32 | H43 | 118.8° | 65.0° |
| H42 | C31 | C32 | H44 | 0.4° | 175.0° |
| H46 | C34 | H47 | H48 | 120.0° | 120.0° |
| H49 | C35 | H50 | H51 | 120.0° | 120.0° |
| H52 | C37 | C38 | H53 | 0.1° | 0.0° |
