A1A3A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C24 | sing | 1.35Å | 1.33Å | |
| O4 | C26 | doub | 1.22Å | 1.23Å | |
| C6 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | N4 | doub | 1.31Å | 1.33Å | Aromatic |
| C24 | C8 | sing | 1.48Å | 1.50Å | |
| C24 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C16 | sing | 1.47Å | 1.49Å | |
| C26 | N12 | sing | 1.35Å | 1.35Å | |
| N2 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | C20 | doub | 1.31Å | 1.35Å | Aromatic |
| C16 | N8 | sing | 1.37Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| N4 | N8 | sing | 1.29Å | 1.37Å | Aromatic |
| N8 | C36 | sing | 1.46Å | 1.46Å | |
| C20 | N12 | sing | 1.38Å | 1.31Å | |
| C20 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| C36 | C30 | sing | 1.53Å | 1.51Å | |
| C12 | N6 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N6 | C34 | sing | 1.47Å | 1.46Å | |
| C14 | O6 | sing | 1.36Å | 1.37Å | |
| C29 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | C22 | sing | 1.51Å | 1.50Å | |
| O6 | C32 | sing | 1.43Å | 1.43Å | |
| N3 | C17 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | N7 | sing | 1.28Å | 1.37Å | Aromatic |
| C35 | N7 | sing | 1.47Å | 1.46Å | |
| C27 | C17 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | doub | 1.31Å | 1.33Å | |
| C21 | C33 | sing | 1.51Å | 1.49Å | |
| C17 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C15 | sing | 1.37Å | 1.36Å | Aromatic |
| C33 | N5 | sing | 1.47Å | 1.46Å | |
| C15 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C25 | sing | 1.47Å | 1.49Å | |
| N11 | C25 | sing | 1.35Å | 1.35Å | |
| N11 | C19 | sing | 1.38Å | 1.32Å | |
| C31 | O5 | sing | 1.43Å | 1.43Å | |
| N5 | C19 | sing | 1.37Å | 1.38Å | Aromatic |
| N5 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| O5 | C13 | sing | 1.36Å | 1.37Å | |
| C25 | O3 | doub | 1.22Å | 1.23Å | |
| C19 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| C11 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| C9 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C23 | sing | 1.48Å | 1.50Å | |
| C23 | O1 | doub | 1.22Å | 1.24Å | |
| C23 | N9 | sing | 1.35Å | 1.33Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N12 | H39 | sing | 0.97Å | 1.00Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| N9 | H35 | sing | 0.97Å | 1.00Å | |
| N9 | H36 | sing | 0.97Å | 1.00Å | |
| N10 | H37 | sing | 0.97Å | 1.00Å | |
| N10 | H38 | sing | 0.97Å | 1.00Å | |
| N11 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C24 | C8 | 118.0° | 120.0° |
| N10 | C24 | O2 | 122.5° | 120.0° |
| C24 | N10 | H37 | 120.0° | 119.9° |
| C24 | N10 | H38 | 120.0° | 120.1° |
| O4 | C26 | C16 | 119.7° | 120.0° |
| O4 | C26 | N12 | 125.8° | 120.0° |
| C18 | C6 | C16 | 105.7° | 105.3° |
| C6 | C18 | C28 | 128.5° | 126.0° |
| C6 | C18 | N4 | 111.2° | 107.9° |
| C18 | C6 | H6 | 127.2° | 127.4° |
| C6 | C16 | C26 | 127.6° | 126.9° |
| C6 | C16 | N8 | 106.6° | 106.2° |
| C16 | C6 | H6 | 127.1° | 127.3° |
| C28 | C18 | N4 | 120.3° | 126.0° |
| C18 | C28 | H12 | 109.5° | 109.5° |
| C18 | C28 | H13 | 109.5° | 109.5° |
| C18 | C28 | H14 | 109.5° | 109.5° |
| C18 | N4 | N8 | 104.9° | 110.9° |
| C8 | C24 | O2 | 119.5° | 120.0° |
| C24 | C8 | C2 | 120.6° | 119.9° |
| C24 | C8 | C4 | 119.3° | 119.9° |
| C10 | C2 | C8 | 118.9° | 119.8° |
| C2 | C10 | N2 | 130.2° | 133.3° |
| C2 | C10 | C12 | 121.4° | 119.6° |
| C10 | C2 | H2 | 120.5° | 120.1° |
| C2 | C8 | C4 | 120.1° | 120.2° |
| C8 | C2 | H2 | 120.6° | 120.1° |
| C16 | C26 | N12 | 114.4° | 120.0° |
| C26 | C16 | N8 | 125.7° | 126.9° |
| C26 | N12 | C20 | 119.8° | 120.0° |
| C26 | N12 | H39 | 120.1° | 120.0° |
| C10 | N2 | C20 | 108.8° | 109.6° |
| N2 | C10 | C12 | 108.3° | 107.1° |
| N2 | C20 | N12 | 129.9° | 125.0° |
| N2 | C20 | N6 | 107.9° | 109.9° |
| C16 | N8 | N4 | 111.6° | 109.6° |
| C16 | N8 | C36 | 130.8° | 125.2° |
| C10 | C12 | N6 | 106.6° | 106.1° |
| C10 | C12 | C14 | 119.4° | 120.2° |
| C8 | C4 | C14 | 120.2° | 120.2° |
| C8 | C4 | H4 | 119.9° | 119.9° |
| N4 | N8 | C36 | 117.5° | 125.2° |
| N8 | C36 | C30 | 112.1° | 109.5° |
| N8 | C36 | H34 | 108.8° | 109.5° |
| N8 | C36 | H33 | 108.8° | 109.5° |
| N12 | C20 | N6 | 122.2° | 125.1° |
| C20 | N12 | H39 | 120.1° | 120.0° |
| C20 | N6 | C12 | 108.3° | 107.3° |
| C20 | N6 | C34 | 126.0° | 126.4° |
| C36 | C30 | H19 | 109.5° | 109.5° |
| C36 | C30 | H18 | 109.5° | 109.5° |
| C36 | C30 | H20 | 109.5° | 109.5° |
| C30 | C36 | H34 | 108.8° | 109.5° |
| C30 | C36 | H33 | 108.8° | 109.4° |
| N6 | C12 | C14 | 133.9° | 133.7° |
| C12 | N6 | C34 | 125.1° | 126.3° |
| C12 | C14 | C4 | 119.8° | 119.9° |
| C12 | C14 | O6 | 115.6° | 120.0° |
| C4 | C14 | O6 | 124.5° | 120.0° |
| C14 | C4 | H4 | 119.9° | 119.9° |
| N6 | C34 | C22 | 111.4° | 109.5° |
| N6 | C34 | H29 | 109.0° | 109.5° |
| N6 | C34 | H30 | 109.0° | 109.4° |
| C14 | O6 | C32 | 117.8° | 117.0° |
| C29 | C35 | N7 | 112.1° | 109.5° |
| C35 | C29 | H17 | 109.5° | 109.5° |
| C35 | C29 | H15 | 109.5° | 109.4° |
| C35 | C29 | H16 | 109.5° | 109.4° |
| C29 | C35 | H32 | 108.8° | 109.5° |
| C29 | C35 | H31 | 108.8° | 109.5° |
| C34 | C22 | C21 | 125.3° | 120.0° |
| C34 | C22 | H8 | 117.3° | 120.0° |
| C22 | C34 | H29 | 109.0° | 109.5° |
| C22 | C34 | H30 | 109.0° | 109.5° |
| O6 | C32 | H24 | 109.5° | 109.5° |
| O6 | C32 | H25 | 109.5° | 109.5° |
| O6 | C32 | H26 | 109.5° | 109.5° |
| C17 | N3 | N7 | 104.9° | 111.0° |
| N3 | C17 | C27 | 120.4° | 126.1° |
| N3 | C17 | C5 | 111.2° | 107.9° |
| N3 | N7 | C35 | 117.8° | 125.2° |
| N3 | N7 | C15 | 111.6° | 109.6° |
| C35 | N7 | C15 | 130.7° | 125.2° |
| N7 | C35 | H32 | 108.8° | 109.5° |
| N7 | C35 | H31 | 108.8° | 109.5° |
| C27 | C17 | C5 | 128.5° | 126.1° |
| C17 | C27 | H11 | 109.5° | 109.5° |
| C17 | C27 | H10 | 109.5° | 109.5° |
| C17 | C27 | H9 | 109.5° | 109.5° |
| C22 | C21 | C33 | 126.0° | 120.0° |
| C22 | C21 | H7 | 117.0° | 120.0° |
| C21 | C22 | H8 | 117.4° | 120.0° |
| C21 | C33 | N5 | 111.7° | 109.5° |
| C33 | C21 | H7 | 117.0° | 120.0° |
| C21 | C33 | H28 | 108.9° | 109.5° |
| C21 | C33 | H27 | 108.9° | 109.5° |
| C17 | C5 | C15 | 105.7° | 105.4° |
| C17 | C5 | H5 | 127.1° | 127.3° |
| N7 | C15 | C5 | 106.6° | 106.2° |
| N7 | C15 | C25 | 125.7° | 126.9° |
| C33 | N5 | C19 | 126.3° | 126.3° |
| C33 | N5 | C11 | 125.0° | 126.4° |
| N5 | C33 | H28 | 108.9° | 109.5° |
| N5 | C33 | H27 | 108.9° | 109.5° |
| C5 | C15 | C25 | 127.6° | 126.9° |
| C15 | C5 | H5 | 127.2° | 127.3° |
| C15 | C25 | N11 | 115.2° | 120.0° |
| C15 | C25 | O3 | 118.9° | 120.0° |
| C25 | N11 | C19 | 119.9° | 120.0° |
| N11 | C25 | O3 | 125.9° | 120.0° |
| C25 | N11 | H40 | 120.0° | 120.1° |
| N11 | C19 | N5 | 121.9° | 125.1° |
| N11 | C19 | N1 | 130.2° | 125.0° |
| C19 | N11 | H40 | 120.0° | 119.9° |
| C31 | O5 | C13 | 118.5° | 117.0° |
| O5 | C31 | H21 | 109.5° | 109.5° |
| O5 | C31 | H22 | 109.5° | 109.5° |
| O5 | C31 | H23 | 109.5° | 109.5° |
| C19 | N5 | C11 | 108.4° | 107.3° |
| N5 | C19 | N1 | 107.9° | 109.9° |
| N5 | C11 | C13 | 133.6° | 133.7° |
| N5 | C11 | C9 | 106.6° | 106.2° |
| O5 | C13 | C11 | 115.2° | 120.0° |
| O5 | C13 | C3 | 125.3° | 120.0° |
| C19 | N1 | C9 | 108.7° | 109.6° |
| C13 | C11 | C9 | 119.8° | 120.2° |
| C11 | C13 | C3 | 119.4° | 119.9° |
| C11 | C9 | N1 | 108.4° | 107.1° |
| C11 | C9 | C1 | 121.4° | 119.7° |
| C13 | C3 | C7 | 120.3° | 120.3° |
| C13 | C3 | H3 | 119.9° | 119.9° |
| N1 | C9 | C1 | 130.2° | 133.2° |
| C9 | C1 | C7 | 118.8° | 119.7° |
| C9 | C1 | H1 | 120.6° | 120.1° |
| C3 | C7 | C1 | 120.3° | 120.2° |
| C3 | C7 | C23 | 119.8° | 119.9° |
| C7 | C3 | H3 | 119.9° | 119.9° |
| C1 | C7 | C23 | 119.9° | 119.9° |
| C7 | C1 | H1 | 120.6° | 120.2° |
| C7 | C23 | O1 | 119.6° | 120.0° |
| C7 | C23 | N9 | 117.8° | 120.0° |
| O1 | C23 | N9 | 122.6° | 120.0° |
| C23 | N9 | H35 | 120.0° | 120.0° |
| C23 | N9 | H36 | 120.0° | 120.0° |
| H12 | C28 | H13 | 109.4° | 109.5° |
| H12 | C28 | H14 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.5° | 109.4° |
| H11 | C27 | H10 | 109.5° | 109.4° |
| H11 | C27 | H9 | 109.5° | 109.5° |
| H10 | C27 | H9 | 109.5° | 109.5° |
| H17 | C29 | H15 | 109.4° | 109.5° |
| H17 | C29 | H16 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.5° |
| H19 | C30 | H18 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.4° | 109.4° |
| H18 | C30 | H20 | 109.5° | 109.5° |
| H21 | C31 | H22 | 109.5° | 109.4° |
| H21 | C31 | H23 | 109.5° | 109.4° |
| H22 | C31 | H23 | 109.4° | 109.5° |
| H24 | C32 | H25 | 109.4° | 109.4° |
| H24 | C32 | H26 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.5° |
| H28 | C33 | H27 | 109.4° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.4° |
| H32 | C35 | H31 | 109.4° | 109.5° |
| H34 | C36 | H33 | 109.5° | 109.5° |
| H35 | N9 | H36 | 120.0° | 120.0° |
| H37 | N10 | H38 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C24 | C8 | O2 | 178.5° | 180.0° |
| N10 | C24 | C8 | C2 | 41.7° | 180.0° |
| N10 | C24 | C8 | C4 | 140.5° | 0.1° |
| C24 | N10 | H37 | H38 | 180.0° | 180.0° |
| O4 | C26 | C16 | C6 | 26.3° | 175.0° |
| O4 | C26 | C16 | N12 | 177.0° | 179.9° |
| O4 | C26 | C16 | N8 | 149.6° | 5.1° |
| O4 | C26 | N12 | C20 | 1.1° | 5.3° |
| O4 | C26 | N12 | H39 | 178.9° | 174.8° |
| C18 | C6 | C16 | H6 | 180.0° | 179.8° |
| C6 | C18 | C28 | N4 | 179.9° | 180.0° |
| C18 | C6 | C16 | C26 | 177.5° | 179.9° |
| C18 | C6 | C16 | N8 | 1.0° | 0.0° |
| C6 | C18 | N4 | N8 | 0.1° | 0.1° |
| C6 | C18 | C28 | H12 | 180.0° | 90.0° |
| C6 | C18 | C28 | H13 | 60.1° | 150.0° |
| C6 | C18 | C28 | H14 | 59.9° | 30.0° |
| C16 | C6 | C18 | C28 | 179.3° | 179.9° |
| C16 | C6 | C18 | N4 | 0.6° | 0.1° |
| C6 | C16 | C26 | N8 | 175.8° | 179.9° |
| C6 | C16 | C26 | N12 | 156.8° | 4.9° |
| C6 | C16 | N8 | N4 | 1.1° | 0.0° |
| C6 | C16 | N8 | C36 | 179.4° | 180.0° |
| C28 | C18 | N4 | N8 | 180.0° | 179.9° |
| C28 | C18 | C6 | H6 | 0.6° | 0.3° |
| C18 | C28 | H12 | H13 | 120.0° | 120.1° |
| C18 | C28 | H12 | H14 | 120.0° | 120.0° |
| C18 | C28 | H13 | H14 | 120.0° | 120.0° |
| C18 | N4 | N8 | C16 | 0.7° | 0.0° |
| C18 | N4 | N8 | C36 | 179.8° | 180.0° |
| N4 | C18 | C6 | H6 | 179.4° | 179.7° |
| N4 | C18 | C28 | H12 | 0.0° | 90.0° |
| N4 | C18 | C28 | H13 | 120.0° | 30.0° |
| N4 | C18 | C28 | H14 | 120.0° | 150.0° |
| C24 | C8 | C2 | C10 | 178.6° | 180.0° |
| C24 | C8 | C2 | C4 | 177.8° | 179.9° |
| C24 | C8 | C4 | C14 | 179.8° | 180.0° |
| C24 | C8 | C4 | H4 | 0.2° | 0.2° |
| C24 | C8 | C2 | H2 | 1.4° | 0.1° |
| C8 | C24 | N10 | H37 | 178.5° | 0.0° |
| C8 | C24 | N10 | H38 | 1.5° | 180.0° |
| O2 | C24 | C8 | C2 | 139.8° | 0.1° |
| O2 | C24 | C8 | C4 | 38.1° | 180.0° |
| O2 | C24 | N10 | H37 | 0.0° | 180.0° |
| O2 | C24 | N10 | H38 | 180.0° | 0.0° |
| C10 | C2 | C8 | H2 | 180.0° | 179.9° |
| C2 | C10 | N2 | C12 | 177.9° | 179.3° |
| C2 | C10 | N2 | C20 | 179.1° | 179.3° |
| C10 | C2 | C8 | C4 | 3.6° | 0.1° |
| C2 | C10 | C12 | N6 | 178.1° | 180.0° |
| C2 | C10 | C12 | C14 | 1.5° | 0.5° |
| C8 | C2 | C10 | N2 | 176.0° | 179.5° |
| C8 | C2 | C10 | C12 | 1.7° | 0.2° |
| C2 | C8 | C4 | C14 | 2.4° | 0.1° |
| C2 | C8 | C4 | H4 | 177.6° | 179.7° |
| C26 | C16 | N8 | N4 | 177.7° | 179.9° |
| C26 | C16 | N8 | C36 | 2.9° | 0.1° |
| C16 | C26 | N12 | C20 | 175.7° | 174.8° |
| C26 | C16 | C6 | H6 | 2.5° | 0.1° |
| C16 | C26 | N12 | H39 | 4.3° | 5.1° |
| C26 | N12 | C20 | N2 | 2.5° | 1.0° |
| N12 | C26 | C16 | N8 | 27.4° | 175.0° |
| C26 | N12 | C20 | H39 | 180.0° | 179.9° |
| C26 | N12 | C20 | N6 | 179.7° | 180.0° |
| C10 | N2 | C20 | N12 | 176.0° | 179.7° |
| C10 | N2 | C20 | N6 | 2.0° | 0.6° |
| N2 | C10 | C12 | N6 | 0.0° | 0.6° |
| N2 | C10 | C12 | C14 | 179.6° | 180.0° |
| N2 | C10 | C2 | H2 | 4.0° | 0.5° |
| C20 | N2 | C10 | C12 | 1.2° | 0.0° |
| N2 | C20 | N12 | N6 | 177.7° | 179.0° |
| N2 | C20 | N6 | C12 | 2.0° | 0.9° |
| N2 | C20 | N6 | C34 | 173.6° | 180.0° |
| N2 | C20 | N12 | H39 | 177.4° | 178.9° |
| C16 | N8 | N4 | C36 | 179.5° | 180.0° |
| C16 | N8 | C36 | C30 | 105.2° | 94.6° |
| N8 | C16 | C6 | H6 | 179.0° | 179.8° |
| C16 | N8 | C36 | H34 | 15.2° | 25.5° |
| C16 | N8 | C36 | H33 | 134.4° | 145.5° |
| C10 | C12 | N6 | C20 | 1.2° | 0.9° |
| C10 | C12 | N6 | C14 | 179.5° | 179.4° |
| C10 | C12 | C14 | C4 | 2.7° | 0.5° |
| C10 | C12 | N6 | C34 | 173.0° | 180.0° |
| C10 | C12 | C14 | O6 | 179.7° | 179.4° |
| C12 | C10 | C2 | H2 | 178.3° | 179.7° |
| C8 | C4 | C14 | C12 | 0.8° | 0.2° |
| C8 | C4 | C14 | H4 | 180.0° | 179.8° |
| C8 | C4 | C14 | O6 | 177.6° | 179.7° |
| C4 | C8 | C2 | H2 | 176.4° | 180.0° |
| N4 | N8 | C36 | C30 | 74.2° | 85.4° |
| N4 | N8 | C36 | H34 | 165.4° | 154.6° |
| N4 | N8 | C36 | H33 | 46.2° | 34.6° |
| N8 | C36 | C30 | H34 | 120.4° | 120.0° |
| N8 | C36 | C30 | H33 | 120.4° | 120.0° |
| N8 | C36 | C30 | H19 | 180.0° | 180.0° |
| N8 | C36 | C30 | H18 | 60.0° | 60.0° |
| N8 | C36 | C30 | H20 | 60.0° | 60.0° |
| N8 | C36 | H34 | H33 | 118.8° | 120.0° |
| N12 | C20 | N6 | C12 | 176.2° | 180.0° |
| N12 | C20 | N6 | C34 | 4.5° | 0.9° |
| C20 | N6 | C12 | C34 | 171.8° | 179.1° |
| C20 | N6 | C12 | C14 | 179.3° | 179.7° |
| C20 | N6 | C34 | C22 | 74.9° | 90.0° |
| N6 | C20 | N12 | H39 | 0.3° | 0.0° |
| C20 | N6 | C34 | H29 | 164.8° | 30.0° |
| C20 | N6 | C34 | H30 | 45.4° | 149.9° |
| C36 | C30 | H19 | H18 | 120.0° | 120.0° |
| C36 | C30 | H19 | H20 | 120.0° | 120.0° |
| C36 | C30 | H18 | H20 | 120.0° | 120.0° |
| C30 | C36 | H34 | H33 | 118.8° | 119.9° |
| N6 | C12 | C14 | C4 | 176.8° | 179.8° |
| N6 | C12 | C14 | O6 | 0.3° | 0.1° |
| C12 | N6 | C34 | C22 | 95.4° | 91.0° |
| C12 | N6 | C34 | H29 | 24.9° | 148.9° |
| C12 | N6 | C34 | H30 | 144.3° | 29.0° |
| C12 | C14 | C4 | O6 | 176.8° | 179.9° |
| C14 | C12 | N6 | C34 | 7.5° | 0.6° |
| C12 | C14 | O6 | C32 | 136.2° | 180.0° |
| C12 | C14 | C4 | H4 | 179.2° | 180.0° |
| C4 | C14 | O6 | C32 | 46.8° | 0.1° |
| N6 | C34 | C22 | H29 | 120.3° | 120.0° |
| N6 | C34 | C22 | H30 | 120.3° | 120.0° |
| N6 | C34 | C22 | C21 | 20.2° | 125.0° |
| N6 | C34 | C22 | H8 | 159.8° | 55.0° |
| N6 | C34 | H29 | H30 | 119.1° | 119.9° |
| O6 | C14 | C4 | H4 | 2.4° | 0.1° |
| C14 | O6 | C32 | H24 | 180.0° | 180.0° |
| C14 | O6 | C32 | H25 | 60.0° | 60.1° |
| C14 | O6 | C32 | H26 | 60.0° | 59.9° |
| C29 | C35 | N7 | N3 | 87.5° | 94.9° |
| C29 | C35 | N7 | H32 | 120.4° | 120.0° |
| C29 | C35 | N7 | H31 | 120.4° | 120.0° |
| C29 | C35 | N7 | C15 | 90.6° | 85.1° |
| C35 | C29 | H17 | H15 | 120.0° | 120.0° |
| C35 | C29 | H17 | H16 | 120.0° | 120.0° |
| C35 | C29 | H15 | H16 | 120.0° | 119.9° |
| C29 | C35 | H32 | H31 | 118.8° | 120.0° |
| C34 | C22 | C21 | H8 | 180.0° | 180.0° |
| C34 | C22 | C21 | C33 | 179.9° | 180.0° |
| C34 | C22 | C21 | H7 | 0.0° | 0.0° |
| C22 | C34 | H29 | H30 | 119.1° | 120.1° |
| O6 | C32 | H24 | H25 | 120.0° | 120.0° |
| O6 | C32 | H24 | H26 | 120.0° | 120.0° |
| O6 | C32 | H25 | H26 | 120.0° | 120.0° |
| C17 | N3 | N7 | C35 | 179.7° | 180.0° |
| N3 | C17 | C27 | C5 | 179.5° | 180.0° |
| C17 | N3 | N7 | C15 | 1.3° | 0.0° |
| N3 | C17 | C5 | C15 | 0.4° | 0.0° |
| N3 | C17 | C5 | H5 | 179.6° | 180.0° |
| N3 | C17 | C27 | H11 | 0.0° | 90.1° |
| N3 | C17 | C27 | H10 | 120.0° | 150.0° |
| N3 | C17 | C27 | H9 | 120.0° | 30.0° |
| N3 | N7 | C35 | C15 | 178.1° | 180.0° |
| N7 | N3 | C17 | C27 | 180.0° | 179.9° |
| N7 | N3 | C17 | C5 | 0.5° | 0.0° |
| N3 | N7 | C15 | C5 | 1.5° | 0.0° |
| N3 | N7 | C15 | C25 | 178.2° | 180.0° |
| N3 | N7 | C35 | H32 | 33.0° | 25.0° |
| N3 | N7 | C35 | H31 | 152.1° | 145.0° |
| C35 | N7 | C15 | C5 | 179.7° | 180.0° |
| C35 | N7 | C15 | C25 | 3.7° | 0.1° |
| N7 | C35 | C29 | H17 | 180.0° | 60.0° |
| N7 | C35 | C29 | H15 | 60.0° | 60.0° |
| N7 | C35 | C29 | H16 | 60.0° | 180.0° |
| N7 | C35 | H32 | H31 | 118.8° | 120.0° |
| C27 | C17 | C5 | C15 | 179.1° | 180.0° |
| C27 | C17 | C5 | H5 | 0.9° | 0.1° |
| C17 | C27 | H11 | H10 | 120.0° | 120.0° |
| C17 | C27 | H11 | H9 | 120.0° | 120.1° |
| C17 | C27 | H10 | H9 | 120.0° | 120.1° |
| C22 | C21 | C33 | H7 | 180.0° | 180.0° |
| C22 | C21 | C33 | N5 | 28.8° | 125.0° |
| C22 | C21 | C33 | H28 | 91.5° | 115.0° |
| C22 | C21 | C33 | H27 | 149.1° | 5.0° |
| C21 | C22 | C34 | H29 | 100.1° | 115.0° |
| C21 | C22 | C34 | H30 | 140.4° | 5.1° |
| C21 | C33 | N5 | H28 | 120.3° | 120.0° |
| C21 | C33 | N5 | H27 | 120.3° | 120.0° |
| C21 | C33 | N5 | C19 | 86.8° | 90.0° |
| C21 | C33 | N5 | C11 | 86.3° | 90.0° |
| C33 | C21 | C22 | H8 | 0.1° | 0.0° |
| C21 | C33 | H28 | H27 | 119.0° | 120.0° |
| C17 | C5 | C15 | N7 | 1.2° | 0.0° |
| C17 | C5 | C15 | H5 | 180.0° | 180.0° |
| C17 | C5 | C15 | C25 | 177.7° | 180.0° |
| C5 | C17 | C27 | H11 | 179.5° | 90.0° |
| C5 | C17 | C27 | H10 | 60.5° | 30.0° |
| C5 | C17 | C27 | H9 | 59.5° | 150.0° |
| N7 | C15 | C5 | C25 | 176.5° | 179.9° |
| N7 | C15 | C25 | N11 | 29.3° | 174.9° |
| N7 | C15 | C25 | O3 | 148.7° | 5.0° |
| N7 | C15 | C5 | H5 | 178.8° | 180.0° |
| C15 | N7 | C35 | H32 | 149.0° | 154.9° |
| C15 | N7 | C35 | H31 | 29.8° | 34.9° |
| C33 | N5 | C19 | N11 | 3.5° | 0.0° |
| C33 | N5 | C19 | C11 | 174.1° | 180.0° |
| C33 | N5 | C19 | N1 | 175.7° | 180.0° |
| C33 | N5 | C11 | C13 | 4.3° | 0.0° |
| C33 | N5 | C11 | C9 | 176.0° | 180.0° |
| N5 | C33 | C21 | H7 | 151.2° | 55.0° |
| N5 | C33 | H28 | H27 | 119.0° | 120.0° |
| C5 | C15 | C25 | N11 | 154.8° | 5.2° |
| C5 | C15 | C25 | O3 | 27.2° | 174.9° |
| C15 | C25 | N11 | O3 | 177.8° | 179.9° |
| C15 | C25 | N11 | C19 | 176.5° | 174.8° |
| C25 | C15 | C5 | H5 | 2.3° | 0.1° |
| C15 | C25 | N11 | H40 | 3.5° | 5.3° |
| C25 | N11 | C19 | H40 | 180.0° | 179.9° |
| C25 | N11 | C19 | N5 | 178.9° | 180.0° |
| C25 | N11 | C19 | N1 | 2.2° | 0.0° |
| N11 | C19 | N5 | N1 | 179.1° | 180.0° |
| N11 | C19 | N5 | C11 | 177.6° | 180.0° |
| C19 | N11 | C25 | O3 | 1.4° | 5.1° |
| N11 | C19 | N1 | C9 | 178.3° | 180.0° |
| C31 | O5 | C13 | C11 | 162.4° | 180.0° |
| C31 | O5 | C13 | C3 | 22.0° | 0.0° |
| O5 | C31 | H21 | H22 | 120.0° | 120.1° |
| O5 | C31 | H21 | H23 | 120.0° | 120.0° |
| O5 | C31 | H22 | H23 | 120.0° | 120.1° |
| C19 | N5 | C11 | C13 | 178.5° | 180.0° |
| C19 | N5 | C11 | C9 | 1.7° | 0.0° |
| N5 | C19 | N1 | C9 | 0.7° | 0.0° |
| C19 | N5 | C33 | H28 | 33.5° | 30.0° |
| C19 | N5 | C33 | H27 | 152.8° | 150.0° |
| N5 | C19 | N11 | H40 | 1.1° | 0.1° |
| N5 | C11 | C13 | O5 | 1.5° | 0.0° |
| C11 | N5 | C19 | N1 | 1.5° | 0.0° |
| N5 | C11 | C13 | C9 | 179.8° | 180.0° |
| N5 | C11 | C13 | C3 | 177.4° | 180.0° |
| N5 | C11 | C9 | N1 | 1.3° | 0.0° |
| N5 | C11 | C9 | C1 | 179.6° | 180.0° |
| C11 | N5 | C33 | H28 | 153.3° | 150.0° |
| C11 | N5 | C33 | H27 | 34.0° | 30.0° |
| O5 | C13 | C11 | C3 | 175.9° | 180.0° |
| O5 | C13 | C11 | C9 | 178.3° | 180.0° |
| O5 | C13 | C3 | C7 | 178.1° | 179.9° |
| O5 | C13 | C3 | H3 | 1.9° | 0.0° |
| C13 | O5 | C31 | H21 | 180.0° | 60.0° |
| C13 | O5 | C31 | H22 | 60.0° | 180.0° |
| C13 | O5 | C31 | H23 | 60.0° | 60.0° |
| O3 | C25 | N11 | H40 | 178.6° | 174.8° |
| C19 | N1 | C9 | C11 | 0.4° | 0.0° |
| C19 | N1 | C9 | C1 | 179.4° | 180.0° |
| N1 | C19 | N11 | H40 | 177.8° | 179.9° |
| C13 | C11 | C9 | N1 | 178.9° | 180.0° |
| C13 | C11 | C9 | C1 | 0.2° | 0.0° |
| C11 | C13 | C3 | C7 | 2.7° | 0.0° |
| C11 | C13 | C3 | H3 | 177.3° | 180.0° |
| C9 | C11 | C13 | C3 | 2.4° | 0.0° |
| C11 | C9 | N1 | C1 | 179.0° | 180.0° |
| C11 | C9 | C1 | C7 | 1.6° | 0.0° |
| C11 | C9 | C1 | H1 | 178.4° | 180.0° |
| C13 | C3 | C7 | H3 | 180.0° | 180.0° |
| C13 | C3 | C7 | C1 | 0.9° | 0.0° |
| C13 | C3 | C7 | C23 | 179.7° | 179.9° |
| N1 | C9 | C1 | C7 | 179.5° | 180.0° |
| N1 | C9 | C1 | H1 | 0.5° | 0.0° |
| C9 | C1 | C7 | C3 | 1.3° | 0.0° |
| C9 | C1 | C7 | H1 | 180.0° | 180.0° |
| C9 | C1 | C7 | C23 | 178.2° | 179.9° |
| C3 | C7 | C1 | C23 | 179.5° | 180.0° |
| C3 | C7 | C23 | O1 | 51.1° | 180.0° |
| C3 | C7 | C23 | N9 | 127.9° | 0.0° |
| C3 | C7 | C1 | H1 | 178.7° | 180.0° |
| C1 | C7 | C23 | O1 | 129.5° | 0.0° |
| C1 | C7 | C23 | N9 | 51.6° | 180.0° |
| C1 | C7 | C3 | H3 | 179.2° | 180.0° |
| C7 | C23 | O1 | N9 | 178.9° | 180.0° |
| C23 | C7 | C1 | H1 | 1.8° | 0.0° |
| C23 | C7 | C3 | H3 | 0.3° | 0.0° |
| C7 | C23 | N9 | H35 | 178.9° | 0.0° |
| C7 | C23 | N9 | H36 | 1.1° | 180.0° |
| O1 | C23 | N9 | H35 | 0.0° | 180.0° |
| O1 | C23 | N9 | H36 | 180.0° | 0.0° |
| C23 | N9 | H35 | H36 | 180.0° | 180.0° |
| H7 | C21 | C22 | H8 | 180.0° | NaN° |
| H7 | C21 | C33 | H28 | 88.5° | 65.0° |
| H7 | C21 | C33 | H27 | 30.8° | 175.0° |
| H8 | C22 | C34 | H29 | 79.9° | 65.0° |
| H8 | C22 | C34 | H30 | 39.6° | 175.0° |
| H12 | C28 | H13 | H14 | 120.0° | 119.9° |
| H11 | C27 | H10 | H9 | 120.0° | 120.0° |
| H17 | C29 | H15 | H16 | 120.0° | 120.1° |
| H17 | C29 | C35 | H32 | 59.6° | 60.0° |
| H17 | C29 | C35 | H31 | 59.6° | NaN° |
| H15 | C29 | C35 | H32 | 60.4° | 180.0° |
| H15 | C29 | C35 | H31 | 179.6° | 60.0° |
| H16 | C29 | C35 | H32 | 179.6° | 60.0° |
| H16 | C29 | C35 | H31 | 60.4° | 60.0° |
| H19 | C30 | H18 | H20 | 120.0° | 120.0° |
| H19 | C30 | C36 | H34 | 59.6° | 60.0° |
| H19 | C30 | C36 | H33 | 59.6° | 60.0° |
| H18 | C30 | C36 | H34 | 179.6° | 60.1° |
| H18 | C30 | C36 | H33 | 60.4° | 180.0° |
| H20 | C30 | C36 | H34 | 60.4° | 179.9° |
| H20 | C30 | C36 | H33 | 179.6° | 60.0° |
| H21 | C31 | H22 | H23 | 120.0° | 119.9° |
| H24 | C32 | H25 | H26 | 120.0° | 120.0° |
