A1CE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N22 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | C20 | sing | 1.36Å | 1.36Å | Aromatic |
| N22 | C13 | sing | 1.32Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C12 | C7 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C13 | N10 | sing | 1.38Å | 1.45Å | |
| C13 | C14 | doub | 1.41Å | 1.45Å | Aromatic |
| N37 | C5 | sing | 1.47Å | 1.46Å | |
| N10 | C9 | sing | 1.47Å | 1.47Å | |
| C7 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C19 | C14 | sing | 1.42Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C3 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| CL36 | C24 | sing | 1.74Å | 1.73Å | |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| O4 | C3 | doub | 1.21Å | 1.23Å | |
| CL35 | C26 | sing | 1.74Å | 1.74Å | |
| C26 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| N33 | N32 | sing | 1.40Å | 1.36Å | Aromatic |
| N33 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C18 | sing | 1.48Å | 1.49Å | |
| C23 | N28 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | N32 | sing | 1.46Å | 1.46Å | |
| C27 | N28 | sing | 1.33Å | 1.35Å | Aromatic |
| C27 | C29 | sing | 1.48Å | 1.47Å | |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| N32 | C31 | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.45Å | |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.35Å | 1.36Å | Aromatic |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| N2 | H41 | sing | 0.97Å | 1.00Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C20 | H54 | sing | 1.08Å | 1.08Å | |
| C21 | H55 | sing | 1.08Å | 1.08Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.08Å | 1.08Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H47 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C12 | H49 | sing | 1.09Å | 1.10Å | |
| C12 | H50 | sing | 1.09Å | 1.10Å | |
| C15 | H51 | sing | 1.08Å | 1.08Å | |
| C17 | H53 | sing | 1.08Å | 1.08Å | |
| C25 | H56 | sing | 1.08Å | 1.08Å | |
| C30 | H57 | sing | 1.08Å | 1.08Å | |
| C31 | H58 | sing | 1.08Å | 1.08Å | |
| N37 | H63 | sing | 1.01Å | 1.00Å | |
| N37 | H62 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | C21 | C20 | 124.4° | 122.0° |
| C21 | N22 | C13 | 118.5° | 122.6° |
| N22 | C21 | H55 | 117.8° | 119.0° |
| C21 | C20 | C19 | 119.8° | 118.9° |
| C21 | C20 | H54 | 120.1° | 120.6° |
| C20 | C21 | H55 | 117.8° | 119.0° |
| N22 | C13 | N10 | 117.1° | 120.1° |
| N22 | C13 | C14 | 122.2° | 119.7° |
| C12 | C11 | N10 | 111.0° | 109.5° |
| C11 | C12 | C7 | 113.1° | 109.3° |
| C12 | C11 | H47 | 109.1° | 109.4° |
| C12 | C11 | H48 | 109.1° | 109.4° |
| C11 | C12 | H49 | 108.6° | 109.5° |
| C11 | C12 | H50 | 108.6° | 109.5° |
| C11 | N10 | C13 | 119.0° | 111.0° |
| C11 | N10 | C9 | 108.9° | 111.2° |
| N10 | C11 | H47 | 109.1° | 109.5° |
| N10 | C11 | H48 | 109.1° | 109.5° |
| C12 | C7 | C5 | 110.4° | 109.5° |
| C12 | C7 | C8 | 110.1° | 109.2° |
| C12 | C7 | H42 | 108.2° | 109.6° |
| C7 | C12 | H49 | 108.6° | 109.5° |
| C7 | C12 | H50 | 108.6° | 109.5° |
| C20 | C19 | C14 | 118.0° | 118.4° |
| C20 | C19 | C18 | 122.8° | 122.1° |
| C19 | C20 | H54 | 120.1° | 120.6° |
| N10 | C13 | C14 | 119.9° | 120.1° |
| C13 | N10 | C9 | 117.6° | 111.0° |
| C13 | C14 | C19 | 116.9° | 118.5° |
| C13 | C14 | C15 | 124.9° | 121.9° |
| N37 | C5 | C7 | 113.3° | 109.5° |
| N37 | C5 | C3 | 109.4° | 109.5° |
| N37 | C5 | H6 | 107.8° | 109.4° |
| C5 | N37 | H63 | 109.5° | 110.9° |
| C5 | N37 | H62 | 109.5° | 111.0° |
| N10 | C9 | C8 | 110.9° | 109.6° |
| N10 | C9 | H46 | 109.1° | 109.5° |
| N10 | C9 | H45 | 109.1° | 109.5° |
| C5 | C7 | C8 | 111.8° | 109.5° |
| C7 | C5 | C3 | 112.3° | 109.5° |
| C5 | C7 | H42 | 108.0° | 109.5° |
| C7 | C5 | H6 | 106.8° | 109.5° |
| C7 | C8 | C9 | 111.8° | 109.2° |
| C8 | C7 | H42 | 108.2° | 109.5° |
| C7 | C8 | H43 | 108.9° | 109.6° |
| C7 | C8 | H44 | 108.9° | 109.5° |
| C8 | C9 | H46 | 109.1° | 109.4° |
| C8 | C9 | H45 | 109.1° | 109.4° |
| C9 | C8 | H43 | 108.9° | 109.5° |
| C9 | C8 | H44 | 108.9° | 109.4° |
| C14 | C19 | C18 | 119.2° | 119.5° |
| C19 | C14 | C15 | 118.1° | 119.6° |
| C19 | C18 | C23 | 122.8° | 120.5° |
| C19 | C18 | C17 | 119.0° | 119.1° |
| C5 | C3 | O4 | 120.9° | 119.9° |
| C5 | C3 | N2 | 115.9° | 120.0° |
| C3 | C5 | H6 | 107.0° | 109.4° |
| C14 | C15 | C16 | 121.0° | 119.9° |
| C14 | C15 | H51 | 119.5° | 120.0° |
| CL36 | C24 | C25 | 118.6° | 120.3° |
| CL36 | C24 | C23 | 122.4° | 120.4° |
| C24 | C25 | C26 | 119.7° | 118.6° |
| C25 | C24 | C23 | 119.0° | 119.3° |
| C24 | C25 | H56 | 120.2° | 120.7° |
| C25 | C26 | CL35 | 118.5° | 120.4° |
| C25 | C26 | C27 | 118.8° | 119.3° |
| C26 | C25 | H56 | 120.1° | 120.7° |
| C24 | C23 | C18 | 123.8° | 119.6° |
| C24 | C23 | N28 | 121.2° | 120.7° |
| O4 | C3 | N2 | 123.2° | 120.0° |
| CL35 | C26 | C27 | 122.6° | 120.4° |
| C26 | C27 | N28 | 121.7° | 120.7° |
| C26 | C27 | C29 | 124.9° | 119.6° |
| N32 | N33 | C29 | 104.1° | 108.1° |
| N33 | N32 | C34 | 119.3° | 125.9° |
| N33 | N32 | C31 | 112.8° | 108.1° |
| N33 | C29 | C27 | 120.5° | 126.0° |
| N33 | C29 | C30 | 111.1° | 107.9° |
| C18 | C23 | N28 | 115.0° | 119.7° |
| C23 | C18 | C17 | 118.0° | 120.4° |
| C23 | N28 | C27 | 119.6° | 121.5° |
| C3 | N2 | C1 | 122.2° | 120.0° |
| C3 | N2 | H41 | 118.9° | 120.0° |
| C18 | C17 | C16 | 121.5° | 120.6° |
| C18 | C17 | H53 | 119.3° | 119.7° |
| C34 | N32 | C31 | 127.9° | 125.9° |
| N32 | C34 | H60 | 109.5° | 109.5° |
| N32 | C34 | H59 | 109.5° | 109.5° |
| N32 | C34 | H61 | 109.5° | 109.5° |
| N28 | C27 | C29 | 113.3° | 119.7° |
| C27 | C29 | C30 | 128.2° | 126.1° |
| C15 | C16 | C17 | 121.0° | 121.2° |
| C15 | C16 | H52 | 119.5° | 119.4° |
| C16 | C15 | H51 | 119.5° | 120.1° |
| N32 | C31 | C30 | 106.6° | 108.0° |
| N32 | C31 | H58 | 126.7° | 126.0° |
| C29 | C30 | C31 | 105.4° | 107.9° |
| C29 | C30 | H57 | 127.3° | 126.0° |
| C1 | N2 | H41 | 118.9° | 120.0° |
| N2 | C1 | H39 | 109.5° | 109.5° |
| N2 | C1 | H38 | 109.5° | 109.4° |
| N2 | C1 | H40 | 109.4° | 109.5° |
| C17 | C16 | H52 | 119.5° | 119.4° |
| C16 | C17 | H53 | 119.3° | 119.7° |
| C31 | C30 | H57 | 127.3° | 126.1° |
| C30 | C31 | H58 | 126.7° | 126.0° |
| H60 | C34 | H59 | 109.5° | 109.5° |
| H60 | C34 | H61 | 109.5° | 109.5° |
| H59 | C34 | H61 | 109.4° | 109.4° |
| H46 | C9 | H45 | 109.5° | 109.5° |
| H43 | C8 | H44 | 109.5° | 109.5° |
| H39 | C1 | H38 | 109.5° | 109.4° |
| H39 | C1 | H40 | 109.5° | 109.5° |
| H38 | C1 | H40 | 109.5° | 109.5° |
| H47 | C11 | H48 | 109.5° | 109.5° |
| H49 | C12 | H50 | 109.5° | 109.6° |
| H63 | N37 | H62 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C21 | C20 | H55 | 180.0° | 179.9° |
| N22 | C21 | C20 | C19 | 2.6° | 0.2° |
| C21 | N22 | C13 | N10 | 165.1° | 180.0° |
| C21 | N22 | C13 | C14 | 4.6° | 0.2° |
| N22 | C21 | C20 | H54 | 177.5° | 180.0° |
| C20 | C21 | N22 | C13 | 0.2° | 0.0° |
| C21 | C20 | C19 | H54 | 180.0° | 179.8° |
| C21 | C20 | C19 | C14 | 0.9° | 0.2° |
| C21 | C20 | C19 | C18 | 176.7° | 180.0° |
| N22 | C13 | N10 | C11 | 26.4° | 59.1° |
| N22 | C13 | N10 | C14 | 170.0° | 179.8° |
| N22 | C13 | N10 | C9 | 108.7° | 65.1° |
| N22 | C13 | C14 | C19 | 5.9° | 0.2° |
| N22 | C13 | C14 | C15 | 172.1° | 179.7° |
| C13 | N22 | C21 | H55 | 179.8° | 180.0° |
| C12 | C11 | N10 | H47 | 120.2° | 120.0° |
| C12 | C11 | N10 | H48 | 120.2° | 120.0° |
| C11 | C12 | C7 | H49 | 120.5° | 119.9° |
| C11 | C12 | C7 | H50 | 120.5° | 119.9° |
| C12 | C11 | N10 | C13 | 159.5° | 174.2° |
| C12 | C11 | N10 | C9 | 61.9° | 61.8° |
| C11 | C12 | C7 | C5 | 171.0° | 177.6° |
| C11 | C12 | C7 | C8 | 47.1° | 57.6° |
| C11 | C12 | C7 | H42 | 71.0° | 62.3° |
| C12 | C11 | H47 | H48 | 119.3° | 119.9° |
| C11 | C12 | H49 | H50 | 118.3° | 120.1° |
| N10 | C11 | C12 | C7 | 54.8° | 59.2° |
| C11 | N10 | C13 | C9 | 135.0° | 124.2° |
| C11 | N10 | C13 | C14 | 163.7° | 120.6° |
| C11 | N10 | C9 | C8 | 63.8° | 61.7° |
| C11 | N10 | C9 | H46 | 176.0° | 58.2° |
| C11 | N10 | C9 | H45 | 56.4° | 178.3° |
| N10 | C11 | H47 | H48 | 119.3° | 120.0° |
| N10 | C11 | C12 | H49 | 175.3° | 60.7° |
| N10 | C11 | C12 | H50 | 65.8° | 179.1° |
| C12 | C7 | C5 | N37 | 61.5° | 59.7° |
| C12 | C7 | C5 | C8 | 123.0° | 119.7° |
| C12 | C7 | C5 | H42 | 118.1° | 120.2° |
| C12 | C7 | C8 | H42 | 118.1° | 120.0° |
| C12 | C7 | C8 | C9 | 48.2° | 57.6° |
| C12 | C7 | C5 | C3 | 173.9° | 60.3° |
| C12 | C7 | C8 | H43 | 168.6° | 177.6° |
| C12 | C7 | C8 | H44 | 72.1° | 62.3° |
| C12 | C7 | C5 | H6 | 57.0° | 179.7° |
| C7 | C12 | C11 | H47 | 175.0° | 60.9° |
| C7 | C12 | C11 | H48 | 65.4° | 179.2° |
| C7 | C12 | H49 | H50 | 118.4° | 120.1° |
| C20 | C19 | C14 | C13 | 3.0° | 0.0° |
| C20 | C19 | C14 | C18 | 177.7° | 179.8° |
| C20 | C19 | C14 | C15 | 175.2° | 180.0° |
| C20 | C19 | C18 | C23 | 9.6° | 0.2° |
| C20 | C19 | C18 | C17 | 174.4° | 179.7° |
| C19 | C20 | C21 | H55 | 177.5° | 179.8° |
| C13 | N10 | C9 | C8 | 156.9° | 174.2° |
| N10 | C13 | C14 | C19 | 163.5° | 179.9° |
| N10 | C13 | C14 | C15 | 18.5° | 0.0° |
| C13 | N10 | C9 | H46 | 36.7° | 65.8° |
| C13 | N10 | C9 | H45 | 82.9° | 54.2° |
| C13 | N10 | C11 | H47 | 39.3° | 65.8° |
| C13 | N10 | C11 | H48 | 80.3° | 54.2° |
| C14 | C13 | N10 | C9 | 61.3° | 115.2° |
| C13 | C14 | C19 | C15 | 178.2° | 179.9° |
| C13 | C14 | C19 | C18 | 179.3° | 179.8° |
| C13 | C14 | C15 | C16 | 178.0° | 180.0° |
| C13 | C14 | C15 | H51 | 2.0° | 0.0° |
| N37 | C5 | C7 | C3 | 124.6° | 120.0° |
| N37 | C5 | C7 | H6 | 118.5° | 120.0° |
| N37 | C5 | C7 | C8 | 175.5° | 60.0° |
| N37 | C5 | C3 | H6 | 116.5° | 119.9° |
| N37 | C5 | C3 | O4 | 77.7° | 20.1° |
| N37 | C5 | C3 | N2 | 102.9° | 160.0° |
| N37 | C5 | C7 | H42 | 56.6° | 179.9° |
| C5 | N37 | H63 | H62 | 120.0° | 123.9° |
| N10 | C9 | C8 | C7 | 57.7° | 59.1° |
| N10 | C9 | C8 | H46 | 120.2° | 120.0° |
| N10 | C9 | C8 | H45 | 120.2° | 120.0° |
| N10 | C9 | H46 | H45 | 119.4° | 120.0° |
| N10 | C9 | C8 | H43 | 178.1° | 179.1° |
| N10 | C9 | C8 | H44 | 62.6° | 60.8° |
| C9 | N10 | C11 | H47 | 177.9° | 58.3° |
| C9 | N10 | C11 | H48 | 58.3° | 178.3° |
| C5 | C7 | C8 | H42 | 118.8° | 120.1° |
| C5 | C7 | C8 | C9 | 171.3° | 177.5° |
| C7 | C5 | C3 | H6 | 116.8° | 120.0° |
| C7 | C5 | C3 | O4 | 49.1° | 100.0° |
| C7 | C5 | C3 | N2 | 130.3° | 80.0° |
| C5 | C7 | C8 | H43 | 68.3° | 62.5° |
| C5 | C7 | C8 | H44 | 51.0° | 57.7° |
| C5 | C7 | C12 | H49 | 68.5° | 57.6° |
| C5 | C7 | C12 | H50 | 50.5° | 62.5° |
| C7 | C5 | N37 | H63 | 180.0° | 60.0° |
| C7 | C5 | N37 | H62 | 60.0° | 63.9° |
| C7 | C8 | C9 | H43 | 120.4° | 120.0° |
| C7 | C8 | C9 | H44 | 120.3° | 119.9° |
| C8 | C7 | C5 | C3 | 50.9° | 179.9° |
| C7 | C8 | C9 | H46 | 177.9° | 60.9° |
| C7 | C8 | C9 | H45 | 62.5° | 179.2° |
| C7 | C8 | H43 | H44 | 118.9° | 120.2° |
| C8 | C7 | C5 | H6 | 66.0° | 60.0° |
| C8 | C7 | C12 | H49 | 167.6° | 62.3° |
| C8 | C7 | C12 | H50 | 73.5° | 177.6° |
| C9 | C8 | C7 | H42 | 69.8° | 62.4° |
| C8 | C9 | H46 | H45 | 119.4° | 119.9° |
| C9 | C8 | H43 | H44 | 118.9° | 120.0° |
| C14 | C19 | C18 | C23 | 172.9° | 180.0° |
| C14 | C19 | C18 | C17 | 3.2° | 0.5° |
| C19 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C19 | C20 | H54 | 179.1° | 180.0° |
| C19 | C14 | C15 | H51 | 180.0° | 179.9° |
| C18 | C19 | C14 | C15 | 2.5° | 0.3° |
| C19 | C18 | C23 | C24 | 64.0° | 128.0° |
| C19 | C18 | C23 | C17 | 176.1° | 179.5° |
| C19 | C18 | C23 | N28 | 118.4° | 51.9° |
| C19 | C18 | C17 | C16 | 1.3° | 0.5° |
| C18 | C19 | C20 | H54 | 3.3° | 0.2° |
| C19 | C18 | C17 | H53 | 178.6° | 180.0° |
| C5 | C3 | O4 | N2 | 179.4° | 179.9° |
| C5 | C3 | N2 | C1 | 176.6° | 180.0° |
| C5 | C3 | N2 | H41 | 3.4° | 0.1° |
| C3 | C5 | C7 | H42 | 68.0° | 59.9° |
| C3 | C5 | N37 | H63 | 53.9° | 60.1° |
| C3 | C5 | N37 | H62 | 66.1° | 176.1° |
| C14 | C15 | C16 | H51 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.9° | 0.1° |
| C14 | C15 | C16 | H52 | 178.1° | 180.0° |
| CL36 | C24 | C25 | C23 | 179.9° | 180.0° |
| CL36 | C24 | C25 | C26 | 179.7° | 179.9° |
| CL36 | C24 | C23 | C18 | 1.7° | 0.0° |
| CL36 | C24 | C23 | N28 | 179.1° | 180.0° |
| CL36 | C24 | C25 | H56 | 0.3° | 0.0° |
| C24 | C25 | C26 | H56 | 180.0° | 179.9° |
| C24 | C25 | C26 | CL35 | 176.6° | 179.7° |
| C24 | C25 | C26 | C27 | 0.8° | 0.1° |
| C25 | C24 | C23 | C18 | 178.2° | 180.0° |
| C25 | C24 | C23 | N28 | 0.7° | 0.0° |
| C26 | C25 | C24 | C23 | 0.2° | 0.1° |
| C25 | C26 | CL35 | C27 | 177.3° | 179.6° |
| C25 | C26 | C27 | N28 | 1.4° | 0.1° |
| C25 | C26 | C27 | C29 | 178.8° | 179.9° |
| C24 | C23 | C18 | N28 | 177.6° | 180.0° |
| C24 | C23 | C18 | C17 | 112.1° | 51.5° |
| C24 | C23 | N28 | C27 | 0.2° | 0.0° |
| C23 | C24 | C25 | H56 | 179.8° | 179.9° |
| O4 | C3 | N2 | C1 | 2.8° | 0.1° |
| O4 | C3 | N2 | H41 | 177.2° | 180.0° |
| O4 | C3 | C5 | H6 | 165.9° | 140.0° |
| CL35 | C26 | C27 | N28 | 175.9° | 179.7° |
| CL35 | C26 | C27 | C29 | 3.9° | 0.3° |
| CL35 | C26 | C25 | H56 | 3.4° | 0.4° |
| C26 | C27 | C29 | N33 | 120.0° | 25.3° |
| C26 | C27 | N28 | C23 | 0.9° | 0.0° |
| C26 | C27 | N28 | C29 | 179.9° | 180.0° |
| C26 | C27 | C29 | C30 | 64.0° | 155.0° |
| C27 | C26 | C25 | H56 | 179.2° | 180.0° |
| N33 | N32 | C34 | C31 | 179.3° | 179.7° |
| N32 | N33 | C29 | C27 | 176.3° | 179.9° |
| N32 | N33 | C29 | C30 | 0.3° | 0.4° |
| N33 | N32 | C31 | C30 | 0.1° | 0.3° |
| N33 | N32 | C34 | H60 | 0.0° | 89.7° |
| N33 | N32 | C34 | H59 | 120.0° | 30.3° |
| N33 | N32 | C34 | H61 | 120.0° | 150.2° |
| N33 | N32 | C31 | H58 | 179.9° | 179.7° |
| C29 | N33 | N32 | C34 | 179.2° | 179.8° |
| N33 | C29 | C27 | N28 | 59.9° | 154.7° |
| N33 | C29 | C27 | C30 | 176.0° | 179.7° |
| C29 | N33 | N32 | C31 | 0.2° | 0.4° |
| N33 | C29 | C30 | C31 | 0.3° | 0.2° |
| N33 | C29 | C30 | H57 | 179.7° | 179.8° |
| C18 | C23 | N28 | C27 | 177.9° | 180.0° |
| C23 | C18 | C17 | C16 | 174.9° | 179.9° |
| C23 | C18 | C17 | H53 | 5.1° | 0.5° |
| N28 | C23 | C18 | C17 | 65.5° | 128.5° |
| C23 | N28 | C27 | C29 | 179.3° | 180.0° |
| C3 | N2 | C1 | H41 | 180.0° | 179.9° |
| C3 | N2 | C1 | H39 | 180.0° | 180.0° |
| C3 | N2 | C1 | H38 | 60.0° | 60.0° |
| C3 | N2 | C1 | H40 | 60.0° | 59.9° |
| N2 | C3 | C5 | H6 | 13.5° | 40.1° |
| C18 | C17 | C16 | C15 | 1.2° | 0.3° |
| C18 | C17 | C16 | H53 | 180.0° | 179.5° |
| C18 | C17 | C16 | H52 | 178.8° | 179.7° |
| C34 | N32 | C31 | C30 | 179.3° | 180.0° |
| N32 | C34 | H60 | H59 | 120.0° | 120.0° |
| N32 | C34 | H60 | H61 | 120.0° | 120.0° |
| N32 | C34 | H59 | H61 | 120.0° | 120.0° |
| C34 | N32 | C31 | H58 | 0.7° | 0.0° |
| N28 | C27 | C29 | C30 | 116.1° | 25.0° |
| C27 | C29 | C30 | C31 | 176.0° | 180.0° |
| C27 | C29 | C30 | H57 | 4.0° | 0.0° |
| C15 | C16 | C17 | H52 | 180.0° | 180.0° |
| C15 | C16 | C17 | H53 | 178.8° | 179.8° |
| N32 | C31 | C30 | C29 | 0.1° | 0.0° |
| N32 | C31 | C30 | H58 | 180.0° | 180.0° |
| C31 | N32 | C34 | H60 | 179.3° | 90.0° |
| C31 | N32 | C34 | H59 | 60.6° | 150.0° |
| C31 | N32 | C34 | H61 | 59.3° | 30.1° |
| N32 | C31 | C30 | H57 | 179.8° | 180.0° |
| C29 | C30 | C31 | H57 | 180.0° | 180.0° |
| C29 | C30 | C31 | H58 | 179.9° | 180.0° |
| N2 | C1 | H39 | H38 | 120.0° | 119.9° |
| N2 | C1 | H39 | H40 | 120.0° | 120.1° |
| N2 | C1 | H38 | H40 | 120.0° | 120.0° |
| C17 | C16 | C15 | H51 | 178.1° | 179.9° |
| H60 | C34 | H59 | H61 | 120.0° | 120.0° |
| H41 | N2 | C1 | H39 | 0.0° | 0.1° |
| H41 | N2 | C1 | H38 | 120.0° | 120.0° |
| H41 | N2 | C1 | H40 | 120.0° | 120.0° |
| H42 | C7 | C8 | H43 | 50.5° | 57.6° |
| H42 | C7 | C8 | H44 | 169.8° | 177.8° |
| H42 | C7 | C5 | H6 | 175.1° | 60.1° |
| H42 | C7 | C12 | H49 | 49.6° | 177.8° |
| H42 | C7 | C12 | H50 | 168.5° | 57.7° |
| H46 | C9 | C8 | H43 | 61.7° | 59.1° |
| H46 | C9 | C8 | H44 | 57.6° | 179.2° |
| H45 | C9 | C8 | H43 | 57.9° | 60.8° |
| H45 | C9 | C8 | H44 | 177.2° | 59.3° |
| H54 | C20 | C21 | H55 | 2.5° | 0.1° |
| H52 | C16 | C15 | H51 | 1.9° | 0.1° |
| H52 | C16 | C17 | H53 | 1.2° | 0.2° |
| H39 | C1 | H38 | H40 | 120.0° | 120.0° |
| H6 | C5 | N37 | H63 | 62.1° | 180.0° |
| H6 | C5 | N37 | H62 | 177.9° | 56.1° |
| H47 | C11 | C12 | H49 | 64.4° | 179.2° |
| H47 | C11 | C12 | H50 | 54.5° | 59.1° |
| H48 | C11 | C12 | H49 | 55.1° | 59.3° |
| H48 | C11 | C12 | H50 | 174.0° | 60.9° |
| H57 | C30 | C31 | H58 | 0.2° | 0.0° |
