A1BDS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| O1 | C10 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C11 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | C16 | sing | 1.35Å | 1.33Å | |
| C16 | O2 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| O3 | C19 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | N7 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | N6 | sing | 1.35Å | 1.33Å | |
| N7 | C20 | sing | 1.35Å | 1.34Å | |
| O4 | C20 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | doub | 1.34Å | 1.37Å | Aromatic |
| C23 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C29 | sing | 1.46Å | 1.43Å | Aromatic |
| N8 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C24 | doub | 1.41Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N3 | H4 | sing | 1.01Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N2 | H33 | sing | 1.01Å | 1.00Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| N5 | H43 | sing | 0.97Å | 1.00Å | |
| N6 | H44 | sing | 0.97Å | 1.00Å | |
| N6 | H45 | sing | 0.97Å | 1.00Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| C12 | H48 | sing | 1.09Å | 1.10Å | |
| C12 | H49 | sing | 1.09Å | 1.10Å | |
| N7 | H50 | sing | 0.97Å | 1.00Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 112.4° | 109.4° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.0° |
| N1 | C1 | H39 | 108.8° | 109.5° |
| N1 | C1 | H40 | 108.7° | 109.4° |
| C1 | C2 | C3 | 113.2° | 109.5° |
| C1 | C2 | H37 | 108.5° | 109.5° |
| C1 | C2 | H38 | 108.5° | 109.6° |
| C2 | C1 | H39 | 108.7° | 109.5° |
| C2 | C1 | H40 | 108.7° | 109.5° |
| C2 | C3 | N2 | 111.7° | 109.5° |
| C2 | C3 | H35 | 108.9° | 109.4° |
| C2 | C3 | H36 | 109.0° | 109.5° |
| C3 | C2 | H37 | 108.5° | 109.4° |
| C3 | C2 | H38 | 108.6° | 109.5° |
| C3 | N2 | C4 | 113.2° | 111.0° |
| C3 | N2 | H33 | 108.5° | 111.0° |
| N2 | C3 | H35 | 108.9° | 109.5° |
| N2 | C3 | H36 | 108.9° | 109.5° |
| N2 | C4 | C5 | 111.4° | 109.5° |
| N2 | C4 | H6 | 109.0° | 109.4° |
| N2 | C4 | H7 | 109.0° | 109.5° |
| C4 | N2 | H33 | 108.5° | 111.0° |
| C4 | C5 | C6 | 112.9° | 109.5° |
| C5 | C4 | H6 | 109.0° | 109.5° |
| C5 | C4 | H7 | 109.0° | 109.4° |
| C4 | C5 | H8 | 108.6° | 109.4° |
| C4 | C5 | H9 | 108.6° | 109.5° |
| C5 | C6 | C7 | 112.0° | 109.5° |
| C6 | C5 | H8 | 108.6° | 109.5° |
| C6 | C5 | H9 | 108.6° | 109.5° |
| C5 | C6 | H10 | 108.8° | 109.5° |
| C5 | C6 | H11 | 108.9° | 109.5° |
| C6 | C7 | N3 | 111.2° | 109.5° |
| C7 | C6 | H10 | 108.8° | 109.5° |
| C7 | C6 | H11 | 108.8° | 109.4° |
| C6 | C7 | H12 | 109.0° | 109.5° |
| C6 | C7 | H13 | 109.1° | 109.5° |
| C7 | N3 | C8 | 111.5° | 111.0° |
| C7 | N3 | H4 | 109.0° | 110.9° |
| N3 | C7 | H12 | 109.1° | 109.5° |
| N3 | C7 | H13 | 109.1° | 109.4° |
| N3 | C8 | C9 | 111.8° | 109.5° |
| C8 | N3 | H4 | 109.0° | 111.0° |
| N3 | C8 | H14 | 108.9° | 109.4° |
| N3 | C8 | H15 | 108.9° | 109.5° |
| C8 | C9 | C10 | 107.3° | 109.5° |
| C9 | C8 | H14 | 108.9° | 109.5° |
| C9 | C8 | H15 | 108.9° | 109.5° |
| C8 | C9 | H29 | 110.0° | 109.4° |
| C8 | C9 | H30 | 110.0° | 109.5° |
| O1 | C10 | C9 | 120.8° | 120.0° |
| O1 | C10 | N4 | 121.8° | 120.0° |
| C9 | C10 | N4 | 117.4° | 120.0° |
| C10 | C9 | H29 | 110.0° | 109.5° |
| C10 | C9 | H30 | 110.0° | 109.5° |
| C10 | N4 | C11 | 125.5° | 120.0° |
| C10 | N4 | H27 | 117.2° | 120.0° |
| N4 | C11 | C12 | 111.3° | 109.5° |
| C11 | N4 | H27 | 117.2° | 120.0° |
| N4 | C11 | H41 | 109.0° | 109.4° |
| N4 | C11 | H42 | 109.0° | 109.5° |
| C11 | C12 | C13 | 112.7° | 109.4° |
| C12 | C11 | H41 | 109.0° | 109.5° |
| C12 | C11 | H42 | 109.0° | 109.5° |
| C11 | C12 | H48 | 108.7° | 109.5° |
| C11 | C12 | H49 | 108.7° | 109.4° |
| C12 | C13 | C14 | 112.5° | 109.4° |
| C12 | C13 | H16 | 108.7° | 109.5° |
| C12 | C13 | H17 | 108.7° | 109.4° |
| C13 | C12 | H48 | 108.7° | 109.4° |
| C13 | C12 | H49 | 108.7° | 109.4° |
| C13 | C14 | C15 | 107.9° | 109.5° |
| C14 | C13 | H16 | 108.7° | 109.5° |
| C14 | C13 | H17 | 108.7° | 109.4° |
| C13 | C14 | H46 | 109.9° | 109.5° |
| C13 | C14 | H47 | 109.9° | 109.5° |
| C14 | C15 | N5 | 111.9° | 109.5° |
| C14 | C15 | H18 | 108.9° | 109.5° |
| C14 | C15 | H19 | 108.8° | 109.5° |
| C15 | C14 | H46 | 109.9° | 109.4° |
| C15 | C14 | H47 | 109.8° | 109.5° |
| C15 | N5 | C16 | 120.7° | 120.0° |
| N5 | C15 | H18 | 108.8° | 109.4° |
| N5 | C15 | H19 | 108.9° | 109.5° |
| C15 | N5 | H43 | 119.7° | 119.9° |
| N5 | C16 | O2 | 122.6° | 120.0° |
| N5 | C16 | C17 | 116.9° | 120.0° |
| C16 | N5 | H43 | 119.6° | 120.0° |
| O2 | C16 | C17 | 120.1° | 120.0° |
| C16 | C17 | C18 | 110.1° | 109.5° |
| C16 | C17 | N7 | 110.6° | 109.5° |
| C16 | C17 | H20 | 108.4° | 109.5° |
| O3 | C19 | C18 | 119.9° | 120.0° |
| O3 | C19 | N6 | 122.1° | 120.0° |
| C18 | C17 | N7 | 110.0° | 109.5° |
| C17 | C18 | C19 | 116.4° | 109.4° |
| C18 | C17 | H20 | 108.3° | 109.5° |
| C17 | C18 | H31 | 107.7° | 109.5° |
| C17 | C18 | H32 | 107.7° | 109.4° |
| C17 | N7 | C20 | 128.7° | 120.0° |
| N7 | C17 | H20 | 109.3° | 109.4° |
| C17 | N7 | H50 | 115.6° | 120.0° |
| C18 | C19 | N6 | 118.0° | 120.0° |
| C19 | C18 | H31 | 107.7° | 109.5° |
| C19 | C18 | H32 | 107.7° | 109.5° |
| C19 | N6 | H44 | 120.0° | 120.0° |
| C19 | N6 | H45 | 120.0° | 120.0° |
| N7 | C20 | O4 | 122.8° | 120.0° |
| N7 | C20 | C21 | 115.8° | 120.0° |
| C20 | N7 | H50 | 115.6° | 120.0° |
| O4 | C20 | C21 | 121.3° | 120.0° |
| C20 | C21 | C22 | 108.5° | 109.5° |
| C20 | C21 | H21 | 109.7° | 109.5° |
| C20 | C21 | H22 | 109.7° | 109.5° |
| C22 | C23 | N8 | 110.3° | 109.9° |
| C23 | C22 | C21 | 127.3° | 126.5° |
| C23 | C22 | C29 | 106.3° | 107.0° |
| C22 | C23 | H25 | 124.9° | 125.0° |
| C23 | N8 | C24 | 108.9° | 109.8° |
| N8 | C23 | H25 | 124.8° | 125.0° |
| C23 | N8 | H51 | 125.5° | 125.0° |
| C21 | C22 | C29 | 126.5° | 126.4° |
| C22 | C21 | H21 | 109.7° | 109.5° |
| C22 | C21 | H22 | 109.7° | 109.4° |
| C22 | C29 | C24 | 107.0° | 106.0° |
| C22 | C29 | C28 | 134.0° | 134.0° |
| N8 | C24 | C29 | 107.5° | 107.2° |
| N8 | C24 | C25 | 130.4° | 133.5° |
| C24 | N8 | H51 | 125.5° | 125.1° |
| C24 | C29 | C28 | 119.0° | 119.9° |
| C29 | C24 | C25 | 122.0° | 119.3° |
| C29 | C28 | C27 | 118.8° | 119.8° |
| C29 | C28 | H24 | 120.6° | 120.1° |
| C24 | C25 | C26 | 117.3° | 119.8° |
| C24 | C25 | H26 | 121.4° | 120.1° |
| C28 | C27 | C26 | 121.1° | 120.5° |
| C27 | C28 | H24 | 120.6° | 120.1° |
| C28 | C27 | H28 | 119.5° | 119.8° |
| C25 | C26 | C27 | 121.8° | 120.7° |
| C25 | C26 | H23 | 119.1° | 119.6° |
| C26 | C25 | H26 | 121.3° | 120.1° |
| C27 | C26 | H23 | 119.1° | 119.7° |
| C26 | C27 | H28 | 119.5° | 119.7° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.4° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H35 | C3 | H36 | 109.4° | 109.5° |
| H37 | C2 | H38 | 109.5° | 109.4° |
| H39 | C1 | H40 | 109.5° | 109.5° |
| H41 | C11 | H42 | 109.5° | 109.4° |
| H44 | N6 | H45 | 120.0° | 120.0° |
| H46 | C14 | H47 | 109.5° | 109.4° |
| H48 | C12 | H49 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | H39 | 120.5° | 120.0° |
| N1 | C1 | C2 | H40 | 120.4° | 119.9° |
| N1 | C1 | C2 | C3 | 179.3° | 180.0° |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | H37 | 58.8° | 60.0° |
| N1 | C1 | C2 | H38 | 60.1° | 60.0° |
| N1 | C1 | H39 | H40 | 118.7° | 120.0° |
| C1 | C2 | C3 | H37 | 120.6° | 120.0° |
| C1 | C2 | C3 | H38 | 120.5° | 120.1° |
| C1 | C2 | C3 | N2 | 58.0° | 180.0° |
| C2 | C1 | N1 | H1 | 180.0° | 179.9° |
| C2 | C1 | N1 | H2 | 60.0° | 56.1° |
| C1 | C2 | C3 | H35 | 62.3° | 60.0° |
| C1 | C2 | C3 | H36 | 178.4° | 60.0° |
| C1 | C2 | H37 | H38 | 118.2° | 120.1° |
| C2 | C1 | H39 | H40 | 118.7° | 120.0° |
| C2 | C3 | N2 | H35 | 120.3° | 120.0° |
| C2 | C3 | N2 | H36 | 120.4° | 120.0° |
| C2 | C3 | N2 | C4 | 176.0° | 180.0° |
| C2 | C3 | N2 | H33 | 55.5° | 56.0° |
| C2 | C3 | H35 | H36 | 119.0° | 120.0° |
| C3 | C2 | H37 | H38 | 118.3° | 119.9° |
| C3 | C2 | C1 | H39 | 60.2° | 60.0° |
| C3 | C2 | C1 | H40 | 58.9° | 60.1° |
| C3 | N2 | C4 | H33 | 120.6° | 124.0° |
| C3 | N2 | C4 | C5 | 56.7° | 180.0° |
| C3 | N2 | C4 | H6 | 177.0° | 60.0° |
| C3 | N2 | C4 | H7 | 63.6° | 60.0° |
| N2 | C3 | H35 | H36 | 119.0° | 120.0° |
| N2 | C3 | C2 | H37 | 178.6° | 60.0° |
| N2 | C3 | C2 | H38 | 62.5° | 59.9° |
| N2 | C4 | C5 | H6 | 120.3° | 120.0° |
| N2 | C4 | C5 | H7 | 120.3° | 120.0° |
| N2 | C4 | C5 | C6 | 176.6° | 180.0° |
| N2 | C4 | H6 | H7 | 119.1° | 120.0° |
| N2 | C4 | C5 | H8 | 62.9° | 60.0° |
| N2 | C4 | C5 | H9 | 56.1° | 60.0° |
| C4 | N2 | C3 | H35 | 63.6° | 60.0° |
| C4 | N2 | C3 | H36 | 55.7° | 60.0° |
| C4 | C5 | C6 | H8 | 120.5° | 120.0° |
| C4 | C5 | C6 | H9 | 120.5° | 120.0° |
| C4 | C5 | C6 | C7 | 171.9° | 180.0° |
| C5 | C4 | H6 | H7 | 119.1° | 120.0° |
| C4 | C5 | H8 | H9 | 118.4° | 120.0° |
| C4 | C5 | C6 | H10 | 51.5° | 60.0° |
| C4 | C5 | C6 | H11 | 67.7° | 60.0° |
| C5 | C4 | N2 | H33 | 63.9° | 56.0° |
| C5 | C6 | C7 | H10 | 120.4° | 120.0° |
| C5 | C6 | C7 | H11 | 120.4° | 120.0° |
| C5 | C6 | C7 | N3 | 159.2° | 180.0° |
| C6 | C5 | C4 | H6 | 56.3° | 60.0° |
| C6 | C5 | C4 | H7 | 63.1° | 60.0° |
| C6 | C5 | H8 | H9 | 118.4° | 120.0° |
| C5 | C6 | H10 | H11 | 118.9° | 120.0° |
| C5 | C6 | C7 | H12 | 80.5° | 60.0° |
| C5 | C6 | C7 | H13 | 38.9° | 60.0° |
| C6 | C7 | N3 | H12 | 120.2° | 120.1° |
| C6 | C7 | N3 | H13 | 120.3° | 120.0° |
| C6 | C7 | N3 | C8 | 58.0° | 180.0° |
| C6 | C7 | N3 | H4 | 62.3° | 56.1° |
| C7 | C6 | C5 | H8 | 67.6° | 60.0° |
| C7 | C6 | C5 | H9 | 51.4° | 60.0° |
| C7 | C6 | H10 | H11 | 118.8° | 119.9° |
| C6 | C7 | H12 | H13 | 119.2° | 120.0° |
| C7 | N3 | C8 | H4 | 120.3° | 123.8° |
| C7 | N3 | C8 | C9 | 167.8° | 180.0° |
| N3 | C7 | C6 | H10 | 38.8° | 60.0° |
| N3 | C7 | C6 | H11 | 80.4° | 59.9° |
| N3 | C7 | H12 | H13 | 119.2° | 119.9° |
| C7 | N3 | C8 | H14 | 71.9° | 60.1° |
| C7 | N3 | C8 | H15 | 47.4° | 59.9° |
| N3 | C8 | C9 | H14 | 120.4° | 119.9° |
| N3 | C8 | C9 | H15 | 120.4° | 120.1° |
| N3 | C8 | C9 | C10 | 48.3° | 179.9° |
| C8 | N3 | C7 | H12 | 178.2° | 59.9° |
| C8 | N3 | C7 | H13 | 62.3° | 60.1° |
| N3 | C8 | H14 | H15 | 118.9° | 120.0° |
| N3 | C8 | C9 | H29 | 71.4° | 60.1° |
| N3 | C8 | C9 | H30 | 168.0° | 59.9° |
| C8 | C9 | C10 | O1 | 0.8° | 0.0° |
| C8 | C9 | C10 | H29 | 119.7° | 119.9° |
| C8 | C9 | C10 | H30 | 119.7° | 120.0° |
| C8 | C9 | C10 | N4 | 179.1° | 179.9° |
| C9 | C8 | N3 | H4 | 47.5° | 56.1° |
| C9 | C8 | H14 | H15 | 118.9° | 120.0° |
| C8 | C9 | H29 | H30 | 121.0° | 120.0° |
| O1 | C10 | C9 | N4 | 179.9° | 179.9° |
| O1 | C10 | N4 | C11 | 178.8° | 0.0° |
| O1 | C10 | N4 | H27 | 1.2° | 180.0° |
| O1 | C10 | C9 | H29 | 120.5° | 119.9° |
| O1 | C10 | C9 | H30 | 118.9° | 120.0° |
| C9 | C10 | N4 | C11 | 1.3° | 180.0° |
| C10 | C9 | C8 | H14 | 168.6° | 60.0° |
| C10 | C9 | C8 | H15 | 72.1° | 60.0° |
| C9 | C10 | N4 | H27 | 178.7° | 0.0° |
| C10 | C9 | H29 | H30 | 121.0° | 120.1° |
| C10 | N4 | C11 | H27 | 180.0° | 180.0° |
| C10 | N4 | C11 | C12 | 120.8° | 180.0° |
| N4 | C10 | C9 | H29 | 59.4° | 60.0° |
| N4 | C10 | C9 | H30 | 61.2° | 60.0° |
| C10 | N4 | C11 | H41 | 118.9° | 60.0° |
| C10 | N4 | C11 | H42 | 0.5° | 60.0° |
| N4 | C11 | C12 | H41 | 120.3° | 120.0° |
| N4 | C11 | C12 | H42 | 120.3° | 120.0° |
| N4 | C11 | C12 | C13 | 159.6° | 180.0° |
| N4 | C11 | H41 | H42 | 119.2° | 120.0° |
| N4 | C11 | C12 | H48 | 79.9° | 60.0° |
| N4 | C11 | C12 | H49 | 39.1° | 60.1° |
| C11 | C12 | C13 | H48 | 120.5° | 120.0° |
| C11 | C12 | C13 | H49 | 120.5° | 119.9° |
| C11 | C12 | C13 | C14 | 47.1° | 180.0° |
| C11 | C12 | C13 | H16 | 73.3° | 60.0° |
| C11 | C12 | C13 | H17 | 167.6° | 60.1° |
| C12 | C11 | N4 | H27 | 59.2° | 0.0° |
| C12 | C11 | H41 | H42 | 119.2° | 120.1° |
| C11 | C12 | H48 | H49 | 118.5° | 120.0° |
| C12 | C13 | C14 | H16 | 120.5° | 120.0° |
| C12 | C13 | C14 | H17 | 120.5° | 119.9° |
| C12 | C13 | C14 | C15 | 177.2° | 180.0° |
| C12 | C13 | H16 | H17 | 118.7° | 120.0° |
| C13 | C12 | C11 | H41 | 39.4° | 60.0° |
| C13 | C12 | C11 | H42 | 80.1° | 60.0° |
| C12 | C13 | C14 | H46 | 57.4° | 60.0° |
| C12 | C13 | C14 | H47 | 63.1° | 60.0° |
| C13 | C12 | H48 | H49 | 118.5° | 120.0° |
| C13 | C14 | C15 | H46 | 119.7° | 120.0° |
| C13 | C14 | C15 | H47 | 119.7° | 120.1° |
| C13 | C14 | C15 | N5 | 64.0° | 180.0° |
| C14 | C13 | H16 | H17 | 118.6° | 120.0° |
| C13 | C14 | C15 | H18 | 175.6° | 60.0° |
| C13 | C14 | C15 | H19 | 56.4° | 60.0° |
| C13 | C14 | H46 | H47 | 120.7° | 120.1° |
| C14 | C13 | C12 | H48 | 167.6° | 60.0° |
| C14 | C13 | C12 | H49 | 73.3° | 60.1° |
| C14 | C15 | N5 | H18 | 120.4° | 120.0° |
| C14 | C15 | N5 | H19 | 120.4° | 120.0° |
| C14 | C15 | N5 | C16 | 149.4° | 179.9° |
| C15 | C14 | C13 | H16 | 62.4° | 60.0° |
| C15 | C14 | C13 | H17 | 56.7° | 60.1° |
| C14 | C15 | H18 | H19 | 118.9° | 120.0° |
| C14 | C15 | N5 | H43 | 30.6° | 0.0° |
| C15 | C14 | H46 | H47 | 120.7° | 120.0° |
| C15 | N5 | C16 | H43 | 180.0° | 179.9° |
| C15 | N5 | C16 | O2 | 8.8° | 0.1° |
| C15 | N5 | C16 | C17 | 164.9° | 180.0° |
| N5 | C15 | H18 | H19 | 118.9° | 120.0° |
| N5 | C15 | C14 | H46 | 55.8° | 60.0° |
| N5 | C15 | C14 | H47 | 176.3° | 60.0° |
| N5 | C16 | O2 | C17 | 173.4° | 179.9° |
| N5 | C16 | C17 | C18 | 51.1° | 60.1° |
| N5 | C16 | C17 | N7 | 172.9° | 179.9° |
| C16 | N5 | C15 | H18 | 90.3° | 60.0° |
| C16 | N5 | C15 | H19 | 29.0° | 59.9° |
| N5 | C16 | C17 | H20 | 67.2° | 60.0° |
| O2 | C16 | C17 | C18 | 122.7° | 120.0° |
| O2 | C16 | C17 | N7 | 0.9° | 0.0° |
| O2 | C16 | C17 | H20 | 119.0° | 119.9° |
| O2 | C16 | N5 | H43 | 171.2° | 180.0° |
| C16 | C17 | C18 | N7 | 122.2° | 120.0° |
| C16 | C17 | C18 | H20 | 118.4° | 120.0° |
| C16 | C17 | N7 | H20 | 119.3° | 120.0° |
| C16 | C17 | C18 | C19 | 40.2° | 62.8° |
| C16 | C17 | N7 | C20 | 132.7° | 157.3° |
| C16 | C17 | C18 | H31 | 161.2° | 177.1° |
| C16 | C17 | C18 | H32 | 80.8° | 57.2° |
| C17 | C16 | N5 | H43 | 15.1° | 0.1° |
| C16 | C17 | N7 | H50 | 47.4° | 22.8° |
| O3 | C19 | C18 | C17 | 131.9° | 2.6° |
| O3 | C19 | C18 | N6 | 179.8° | 179.9° |
| O3 | C19 | C18 | H31 | 107.1° | 122.6° |
| O3 | C19 | C18 | H32 | 10.9° | 117.3° |
| O3 | C19 | N6 | H44 | 0.0° | 179.9° |
| O3 | C19 | N6 | H45 | 180.0° | 0.1° |
| C18 | C17 | N7 | H20 | 118.8° | 120.0° |
| C17 | C18 | C19 | H31 | 121.0° | 120.0° |
| C17 | C18 | C19 | H32 | 121.0° | 120.0° |
| C17 | C18 | C19 | N6 | 47.9° | 177.3° |
| C18 | C17 | N7 | C20 | 105.4° | 82.7° |
| C17 | C18 | H31 | H32 | 116.9° | 119.9° |
| C18 | C17 | N7 | H50 | 74.5° | 97.3° |
| N7 | C17 | C18 | C19 | 82.0° | 57.2° |
| C17 | N7 | C20 | H50 | 180.0° | 180.0° |
| C17 | N7 | C20 | O4 | 8.0° | 5.1° |
| C17 | N7 | C20 | C21 | 167.7° | 174.9° |
| N7 | C17 | C18 | H31 | 39.0° | 62.9° |
| N7 | C17 | C18 | H32 | 157.0° | 177.2° |
| C19 | C18 | C17 | H20 | 158.5° | 177.1° |
| C19 | C18 | H31 | H32 | 116.8° | 120.1° |
| C18 | C19 | N6 | H44 | 179.8° | 0.0° |
| C18 | C19 | N6 | H45 | 0.2° | 180.0° |
| N6 | C19 | C18 | H31 | 73.1° | 57.3° |
| N6 | C19 | C18 | H32 | 168.9° | 62.7° |
| C19 | N6 | H44 | H45 | 180.0° | 180.0° |
| N7 | C20 | O4 | C21 | 175.5° | 180.0° |
| N7 | C20 | C21 | C22 | 2.6° | 180.0° |
| C20 | N7 | C17 | H20 | 13.3° | 37.3° |
| N7 | C20 | C21 | H21 | 122.5° | 60.0° |
| N7 | C20 | C21 | H22 | 117.2° | 60.0° |
| O4 | C20 | C21 | C22 | 178.4° | 0.0° |
| O4 | C20 | C21 | H21 | 61.7° | 120.0° |
| O4 | C20 | C21 | H22 | 58.6° | 120.0° |
| O4 | C20 | N7 | H50 | 172.0° | 174.9° |
| C20 | C21 | C22 | C23 | 99.6° | 94.7° |
| C20 | C21 | C22 | H21 | 119.9° | 120.1° |
| C20 | C21 | C22 | H22 | 119.9° | 120.0° |
| C20 | C21 | C22 | C29 | 78.5° | 85.0° |
| C20 | C21 | H21 | H22 | 120.5° | 120.0° |
| C21 | C20 | N7 | H50 | 12.3° | 5.2° |
| C22 | C23 | N8 | H25 | 180.0° | 180.0° |
| C23 | C22 | C21 | C29 | 178.1° | 179.7° |
| C22 | C23 | N8 | C24 | 0.7° | 0.2° |
| C23 | C22 | C29 | C24 | 0.2° | 0.2° |
| C23 | C22 | C29 | C28 | 178.7° | 179.7° |
| C23 | C22 | C21 | H21 | 20.2° | 145.3° |
| C23 | C22 | C21 | H22 | 140.5° | 25.3° |
| C22 | C23 | N8 | H51 | 179.3° | 180.0° |
| N8 | C23 | C22 | C21 | 178.7° | 180.0° |
| N8 | C23 | C22 | C29 | 0.3° | 0.2° |
| C23 | N8 | C24 | H51 | 180.0° | 179.8° |
| C23 | N8 | C24 | C29 | 0.9° | 0.0° |
| C23 | N8 | C24 | C25 | 179.8° | 179.8° |
| C21 | C22 | C29 | C24 | 178.2° | 180.0° |
| C21 | C22 | C29 | C28 | 0.3° | 0.0° |
| C22 | C21 | H21 | H22 | 120.4° | 120.0° |
| C21 | C22 | C23 | H25 | 1.3° | 0.1° |
| C22 | C29 | C24 | N8 | 0.7° | 0.1° |
| C22 | C29 | C24 | C28 | 178.8° | 180.0° |
| C22 | C29 | C24 | C25 | 179.9° | 180.0° |
| C22 | C29 | C28 | C27 | 179.1° | 180.0° |
| C29 | C22 | C21 | H21 | 161.7° | 35.0° |
| C29 | C22 | C21 | H22 | 41.4° | 155.0° |
| C22 | C29 | C28 | H24 | 0.9° | 0.0° |
| C29 | C22 | C23 | H25 | 179.7° | 179.8° |
| N8 | C24 | C29 | C25 | 179.4° | 179.9° |
| N8 | C24 | C29 | C28 | 179.4° | 179.8° |
| N8 | C24 | C25 | C26 | 179.7° | 179.8° |
| C24 | N8 | C23 | H25 | 179.2° | 179.9° |
| N8 | C24 | C25 | H26 | 0.3° | 0.3° |
| C24 | C29 | C28 | C27 | 0.8° | 0.0° |
| C29 | C24 | C25 | C26 | 1.1° | 0.0° |
| C24 | C29 | C28 | H24 | 179.2° | 180.0° |
| C29 | C24 | C25 | H26 | 178.9° | 179.9° |
| C29 | C24 | N8 | H51 | 179.2° | 179.8° |
| C28 | C29 | C24 | C25 | 1.2° | 0.0° |
| C29 | C28 | C27 | H24 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.1° |
| C29 | C28 | C27 | H28 | 179.6° | 180.0° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.6° | 0.1° |
| C24 | C25 | C26 | H23 | 179.4° | 180.0° |
| C25 | C24 | N8 | H51 | 0.2° | 0.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.1° |
| C28 | C27 | C26 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | H23 | 179.7° | 179.9° |
| C25 | C26 | C27 | H23 | 180.0° | 180.0° |
| C25 | C26 | C27 | H28 | 179.7° | 180.0° |
| C26 | C27 | C28 | H24 | 179.7° | 180.0° |
| C27 | C26 | C25 | H26 | 179.4° | 180.0° |
| H1 | N1 | C1 | H39 | 59.6° | 60.0° |
| H1 | N1 | C1 | H40 | 59.6° | 60.0° |
| H2 | N1 | C1 | H39 | 60.4° | 64.0° |
| H2 | N1 | C1 | H40 | 179.6° | 176.0° |
| H4 | N3 | C7 | H12 | 57.9° | 63.9° |
| H4 | N3 | C7 | H13 | 177.4° | 176.1° |
| H4 | N3 | C8 | H14 | 167.8° | 176.1° |
| H4 | N3 | C8 | H15 | 72.9° | 63.9° |
| H6 | C4 | C5 | H8 | 176.8° | 60.0° |
| H6 | C4 | C5 | H9 | 64.2° | NaN° |
| H6 | C4 | N2 | H33 | 56.4° | 64.0° |
| H7 | C4 | C5 | H8 | 57.4° | 180.0° |
| H7 | C4 | C5 | H9 | 176.4° | 60.0° |
| H7 | C4 | N2 | H33 | 175.8° | 176.0° |
| H8 | C5 | C6 | H10 | 172.0° | 180.0° |
| H8 | C5 | C6 | H11 | 52.8° | 59.9° |
| H9 | C5 | C6 | H10 | 69.0° | 60.0° |
| H9 | C5 | C6 | H11 | 171.7° | 180.0° |
| H10 | C6 | C7 | H12 | 159.1° | 60.0° |
| H10 | C6 | C7 | H13 | 81.5° | 179.9° |
| H11 | C6 | C7 | H12 | 39.9° | 180.0° |
| H11 | C6 | C7 | H13 | 159.3° | 60.0° |
| H14 | C8 | C9 | H29 | 49.0° | 180.0° |
| H14 | C8 | C9 | H30 | 71.7° | 60.0° |
| H15 | C8 | C9 | H29 | 168.3° | 60.0° |
| H15 | C8 | C9 | H30 | 47.6° | 180.0° |
| H16 | C13 | C14 | H46 | 177.9° | 60.0° |
| H16 | C13 | C14 | H47 | 57.4° | 180.0° |
| H16 | C13 | C12 | H48 | 47.2° | 180.0° |
| H16 | C13 | C12 | H49 | 166.2° | 60.0° |
| H17 | C13 | C14 | H46 | 63.1° | 180.0° |
| H17 | C13 | C14 | H47 | 176.4° | 60.0° |
| H17 | C13 | C12 | H48 | 71.9° | 59.9° |
| H17 | C13 | C12 | H49 | 47.1° | 180.0° |
| H18 | C15 | N5 | H43 | 89.7° | 120.1° |
| H18 | C15 | C14 | H46 | 64.6° | 60.0° |
| H18 | C15 | C14 | H47 | 55.9° | 180.0° |
| H19 | C15 | N5 | H43 | 151.0° | 120.0° |
| H19 | C15 | C14 | H46 | 176.1° | 180.0° |
| H19 | C15 | C14 | H47 | 63.3° | 60.1° |
| H20 | C17 | C18 | H31 | 80.5° | 57.1° |
| H20 | C17 | C18 | H32 | 37.6° | 62.9° |
| H20 | C17 | N7 | H50 | 166.7° | 142.7° |
| H23 | C26 | C25 | H26 | 0.6° | 0.0° |
| H23 | C26 | C27 | H28 | 0.3° | 0.0° |
| H24 | C28 | C27 | H28 | 0.4° | 0.1° |
| H25 | C23 | N8 | H51 | 0.7° | 0.1° |
| H27 | N4 | C11 | H41 | 61.1° | 120.0° |
| H27 | N4 | C11 | H42 | 179.5° | 120.0° |
| H33 | N2 | C3 | H35 | 175.8° | 64.0° |
| H33 | N2 | C3 | H36 | 64.9° | 176.0° |
| H35 | C3 | C2 | H37 | 58.3° | 180.0° |
| H35 | C3 | C2 | H38 | 177.1° | 60.1° |
| H36 | C3 | C2 | H37 | 61.1° | 60.0° |
| H36 | C3 | C2 | H38 | 57.8° | 179.9° |
| H37 | C2 | C1 | H39 | 179.2° | 60.0° |
| H37 | C2 | C1 | H40 | 61.6° | 180.0° |
| H38 | C2 | C1 | H39 | 60.4° | 180.0° |
| H38 | C2 | C1 | H40 | 179.5° | 59.9° |
| H41 | C11 | C12 | H48 | 159.8° | 59.9° |
| H41 | C11 | C12 | H49 | 81.1° | 180.0° |
| H42 | C11 | C12 | H48 | 40.4° | 179.9° |
| H42 | C11 | C12 | H49 | 159.4° | 60.0° |
