A1DBZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N6 | sing | 1.46Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.52Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | C34 | sing | 1.54Å | 1.52Å | |
| C5 | C36 | sing | 1.52Å | 1.57Å | |
| C6 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | N3 | sing | 1.32Å | 1.30Å | Aromatic |
| N1 | C8 | sing | 1.33Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| C8 | N5 | sing | 1.38Å | 1.38Å | |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | N2 | doub | 1.31Å | 1.35Å | Aromatic |
| N2 | C11 | sing | 1.34Å | 1.29Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.44Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.46Å | |
| C12 | F1 | sing | 1.35Å | 1.39Å | |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | N3 | doub | 1.34Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C23 | sing | 1.41Å | 1.45Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | O2 | sing | 1.36Å | 1.37Å | |
| C16 | C17 | doub | 1.37Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.42Å | 1.45Å | Aromatic |
| C19 | C20 | sing | 1.36Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | F2 | sing | 1.35Å | 1.37Å | |
| C21 | C22 | sing | 1.37Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.46Å | Aromatic |
| C22 | C24 | sing | 1.50Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.61Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | O3 | sing | 1.45Å | 1.42Å | |
| O3 | C27 | sing | 1.34Å | 1.35Å | |
| C27 | O4 | doub | 1.22Å | 1.23Å | |
| C27 | N4 | sing | 1.35Å | 1.36Å | |
| N4 | C28 | sing | 1.47Å | 1.49Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | C33 | sing | 1.52Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C32 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C33 | sing | 1.47Å | 1.49Å | |
| C34 | C35 | sing | 1.54Å | 1.56Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | N6 | sing | 1.45Å | 1.49Å | |
| N6 | C37 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.10Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 0.98Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.4° | 109.6° |
| C1 | C2 | N6 | 112.8° | 109.6° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 106.8° | 109.5° |
| C3 | C2 | N6 | 111.0° | 109.0° |
| C2 | C3 | C4 | 111.9° | 108.8° |
| C3 | C2 | H4 | 106.7° | 109.6° |
| C2 | C3 | H5 | 108.8° | 109.6° |
| C2 | C3 | H6 | 108.9° | 109.6° |
| C2 | N6 | C36 | 117.0° | 113.4° |
| C2 | N6 | C37 | 116.5° | 111.0° |
| N6 | C2 | H4 | 107.9° | 109.7° |
| C3 | C4 | C5 | 109.8° | 110.9° |
| C4 | C3 | H5 | 108.9° | 109.6° |
| C4 | C3 | H6 | 108.9° | 109.6° |
| C3 | C4 | H7 | 109.4° | 109.2° |
| C3 | C4 | H8 | 109.4° | 109.2° |
| C4 | C5 | C6 | 108.6° | 112.5° |
| C4 | C5 | C34 | 115.5° | 112.4° |
| C4 | C5 | C36 | 116.4° | 116.5° |
| C5 | C4 | H7 | 109.4° | 109.2° |
| C5 | C4 | H8 | 109.4° | 109.1° |
| C6 | C5 | C34 | 114.9° | 113.1° |
| C6 | C5 | C36 | 112.9° | 113.1° |
| C5 | C6 | O1 | 109.2° | 109.5° |
| C5 | C6 | H10 | 109.6° | 109.4° |
| C5 | C6 | H9 | 109.6° | 109.5° |
| C34 | C5 | C36 | 87.5° | 86.9° |
| C5 | C34 | C35 | 87.1° | 86.8° |
| C5 | C34 | H35 | 114.7° | 113.6° |
| C5 | C34 | H36 | 114.7° | 113.7° |
| C5 | C36 | C35 | 86.8° | 87.8° |
| C5 | C36 | N6 | 117.9° | 117.5° |
| C5 | C36 | H39 | 110.5° | 111.5° |
| C6 | O1 | C7 | 119.9° | 117.0° |
| O1 | C6 | H10 | 109.5° | 109.5° |
| O1 | C6 | H9 | 109.5° | 109.5° |
| O1 | C7 | N1 | 118.6° | 118.6° |
| O1 | C7 | N3 | 115.0° | 118.6° |
| N1 | C7 | N3 | 126.2° | 122.8° |
| C7 | N1 | C8 | 117.3° | 121.4° |
| C7 | N3 | C13 | 118.7° | 120.2° |
| N1 | C8 | C9 | 120.9° | 118.2° |
| N1 | C8 | N5 | 111.0° | 120.6° |
| C9 | C8 | N5 | 127.5° | 121.2° |
| C8 | C9 | C10 | 126.1° | 123.6° |
| C8 | C9 | C13 | 116.4° | 117.9° |
| C8 | N5 | C32 | 123.4° | 109.8° |
| C8 | N5 | C33 | 118.1° | 109.3° |
| C10 | C9 | C13 | 117.5° | 118.4° |
| C9 | C10 | N2 | 125.5° | 120.0° |
| C9 | C10 | H11 | 117.3° | 120.0° |
| C9 | C13 | C12 | 114.1° | 118.2° |
| C9 | C13 | N3 | 120.3° | 118.7° |
| C10 | N2 | C11 | 119.4° | 123.0° |
| N2 | C10 | H11 | 117.2° | 119.9° |
| N2 | C11 | C12 | 118.5° | 120.1° |
| N2 | C11 | C14 | 125.2° | 119.9° |
| C12 | C11 | C14 | 116.2° | 119.9° |
| C11 | C12 | F1 | 123.6° | 121.3° |
| C11 | C12 | C13 | 124.7° | 118.8° |
| C11 | C14 | C15 | 117.7° | 116.9° |
| C11 | C14 | C23 | 123.2° | 124.1° |
| F1 | C12 | C13 | 111.0° | 119.8° |
| C12 | C13 | N3 | 125.5° | 123.1° |
| C15 | C14 | C23 | 118.7° | 119.0° |
| C14 | C15 | C16 | 121.7° | 121.6° |
| C14 | C15 | H12 | 119.2° | 119.5° |
| C14 | C23 | C18 | 118.4° | 118.4° |
| C14 | C23 | C22 | 124.6° | 123.5° |
| C15 | C16 | O2 | 115.5° | 119.9° |
| C15 | C16 | C17 | 122.0° | 120.3° |
| C16 | C15 | H12 | 119.1° | 118.8° |
| O2 | C16 | C17 | 122.5° | 119.8° |
| C16 | O2 | H13 | 109.5° | 114.0° |
| C16 | C17 | C18 | 119.4° | 119.6° |
| C16 | C17 | H14 | 120.3° | 120.3° |
| C17 | C18 | C19 | 117.5° | 119.5° |
| C17 | C18 | C23 | 119.8° | 120.5° |
| C18 | C17 | H14 | 120.3° | 120.1° |
| C19 | C18 | C23 | 122.7° | 120.1° |
| C18 | C19 | C20 | 118.4° | 119.6° |
| C18 | C19 | H15 | 120.8° | 120.1° |
| C18 | C23 | C22 | 117.0° | 118.0° |
| C19 | C20 | C21 | 120.2° | 120.3° |
| C20 | C19 | H15 | 120.8° | 120.2° |
| C19 | C20 | H16 | 119.9° | 120.0° |
| C20 | C21 | F2 | 117.5° | 118.4° |
| C20 | C21 | C22 | 123.1° | 121.4° |
| C21 | C20 | H16 | 119.9° | 119.7° |
| F2 | C21 | C22 | 119.4° | 120.2° |
| C21 | C22 | C23 | 118.5° | 119.7° |
| C21 | C22 | C24 | 116.2° | 117.7° |
| C23 | C22 | C24 | 124.6° | 122.6° |
| C22 | C24 | C25 | 100.5° | 111.8° |
| C22 | C24 | H17 | 111.7° | 109.0° |
| C22 | C24 | H18 | 111.7° | 109.6° |
| C24 | C25 | C26 | 116.6° | 109.7° |
| C25 | C24 | H17 | 111.7° | 108.5° |
| C25 | C24 | H18 | 111.6° | 108.2° |
| C24 | C25 | H19 | 107.7° | 108.8° |
| C24 | C25 | H20 | 107.7° | 110.6° |
| C25 | C26 | O3 | 120.5° | 110.3° |
| C26 | C25 | H19 | 107.6° | 108.7° |
| C26 | C25 | H20 | 107.7° | 110.1° |
| C25 | C26 | H21 | 106.7° | 109.3° |
| C25 | C26 | H22 | 106.7° | 109.3° |
| C26 | O3 | C27 | 117.9° | 118.2° |
| O3 | C26 | H21 | 106.6° | 109.1° |
| O3 | C26 | H22 | 106.7° | 109.5° |
| O3 | C27 | O4 | 121.9° | 118.1° |
| O3 | C27 | N4 | 116.0° | 124.1° |
| O4 | C27 | N4 | 122.1° | 117.8° |
| C27 | N4 | C28 | 125.4° | 122.0° |
| C27 | N4 | H23 | 117.3° | 119.1° |
| N4 | C28 | C29 | 107.9° | 109.4° |
| N4 | C28 | C30 | 105.9° | 108.2° |
| N4 | C28 | C33 | 114.6° | 110.0° |
| C28 | N4 | H23 | 117.3° | 118.9° |
| C29 | C28 | C30 | 110.8° | 109.0° |
| C29 | C28 | C33 | 108.8° | 110.3° |
| C28 | C29 | H24 | 109.5° | 109.4° |
| C28 | C29 | H25 | 109.4° | 109.5° |
| C28 | C29 | H26 | 109.4° | 109.5° |
| C30 | C28 | C33 | 108.9° | 109.9° |
| C28 | C30 | C31 | 113.6° | 110.6° |
| C28 | C30 | H27 | 108.4° | 109.3° |
| C28 | C30 | H28 | 108.4° | 109.1° |
| C28 | C33 | N5 | 111.8° | 110.4° |
| C28 | C33 | H33 | 108.9° | 109.9° |
| C28 | C33 | H34 | 108.9° | 109.9° |
| C30 | C31 | C32 | 111.0° | 110.1° |
| C31 | C30 | H27 | 108.4° | 109.6° |
| C31 | C30 | H28 | 108.4° | 109.5° |
| C30 | C31 | H29 | 109.1° | 109.1° |
| C30 | C31 | H30 | 109.1° | 110.3° |
| C31 | C32 | N5 | 109.2° | 109.6° |
| C32 | C31 | H29 | 109.1° | 109.0° |
| C32 | C31 | H30 | 109.1° | 109.8° |
| C31 | C32 | H31 | 109.5° | 110.0° |
| C31 | C32 | H32 | 109.5° | 109.9° |
| C32 | N5 | C33 | 114.9° | 108.8° |
| N5 | C32 | H31 | 109.5° | 108.6° |
| N5 | C32 | H32 | 109.5° | 108.4° |
| N5 | C33 | H33 | 108.9° | 108.4° |
| N5 | C33 | H34 | 108.9° | 108.5° |
| C34 | C35 | C36 | 87.4° | 86.6° |
| C35 | C34 | H35 | 114.7° | 113.6° |
| C35 | C34 | H36 | 114.7° | 113.7° |
| C34 | C35 | H37 | 114.7° | 113.6° |
| C34 | C35 | H38 | 114.7° | 113.7° |
| C35 | C36 | N6 | 116.8° | 114.5° |
| C36 | C35 | H37 | 114.7° | 113.7° |
| C36 | C35 | H38 | 114.7° | 113.7° |
| C35 | C36 | H39 | 111.0° | 112.0° |
| C36 | N6 | C37 | 110.3° | 110.9° |
| N6 | C36 | H39 | 111.5° | 111.6° |
| N6 | C37 | H40 | 109.5° | 109.4° |
| N6 | C37 | H41 | 109.5° | 109.5° |
| N6 | C37 | H42 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.7° |
| H17 | C24 | H18 | 109.5° | 109.7° |
| H19 | C25 | H20 | 109.5° | 108.7° |
| H21 | C26 | H22 | 109.5° | 109.3° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 108.8° |
| H29 | C31 | H30 | 109.5° | 108.5° |
| H31 | C32 | H32 | 109.5° | 110.3° |
| H33 | C33 | H34 | 109.4° | 109.7° |
| H35 | C34 | H36 | 109.5° | 112.9° |
| H37 | C35 | H38 | 109.5° | 113.0° |
| H40 | C37 | H41 | 109.4° | 109.4° |
| H40 | C37 | H42 | 109.5° | 109.5° |
| H41 | C37 | H42 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.1° |
| H10 | C6 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N6 | 126.5° | 119.8° |
| C1 | C2 | C3 | H4 | 116.2° | 120.2° |
| C1 | C2 | N6 | H4 | 117.7° | 120.2° |
| C1 | C2 | C3 | C4 | 172.3° | 173.0° |
| C1 | C2 | N6 | C36 | 172.1° | 178.5° |
| C1 | C2 | N6 | C37 | 54.3° | 55.8° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H5 | 67.3° | 67.2° |
| C1 | C2 | C3 | H6 | 51.9° | 53.2° |
| C3 | C2 | N6 | H4 | 116.5° | 119.9° |
| C2 | C3 | C4 | H5 | 120.3° | 119.8° |
| C2 | C3 | C4 | H6 | 120.4° | 119.8° |
| C2 | C3 | C4 | C5 | 56.9° | 55.1° |
| C3 | C2 | N6 | C36 | 46.3° | 58.7° |
| C3 | C2 | N6 | C37 | 179.9° | 175.7° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | H5 | H6 | 118.9° | 120.3° |
| C2 | C3 | C4 | H7 | 176.9° | 175.5° |
| C2 | C3 | C4 | H8 | 63.2° | 65.2° |
| N6 | C2 | C3 | C4 | 61.1° | 67.1° |
| C2 | N6 | C36 | C5 | 30.3° | 39.8° |
| C2 | N6 | C36 | C35 | 71.1° | 61.1° |
| C2 | N6 | C36 | C37 | 136.3° | 125.7° |
| N6 | C2 | C1 | H1 | 54.4° | 59.4° |
| N6 | C2 | C1 | H2 | 174.5° | 60.5° |
| N6 | C2 | C1 | H3 | 65.5° | 179.4° |
| N6 | C2 | C3 | H5 | 59.2° | 52.6° |
| N6 | C2 | C3 | H6 | 178.5° | 173.0° |
| C2 | N6 | C36 | H39 | 159.7° | 170.4° |
| C2 | N6 | C37 | H40 | 180.0° | 56.1° |
| C2 | N6 | C37 | H41 | 60.0° | 176.0° |
| C2 | N6 | C37 | H42 | 60.0° | 63.9° |
| C3 | C4 | C5 | H7 | 120.1° | 120.4° |
| C3 | C4 | C5 | H8 | 120.1° | 120.4° |
| C3 | C4 | C5 | C6 | 89.1° | 96.3° |
| C3 | C4 | C5 | C34 | 140.2° | 134.7° |
| C3 | C4 | C5 | C36 | 39.7° | 36.6° |
| C4 | C3 | C2 | H4 | 56.1° | 52.8° |
| C4 | C3 | H5 | H6 | 118.9° | 120.4° |
| C3 | C4 | H7 | H8 | 119.8° | 119.3° |
| C4 | C5 | C6 | C34 | 131.1° | 128.7° |
| C4 | C5 | C6 | C36 | 130.7° | 134.6° |
| C4 | C5 | C34 | C36 | 118.2° | 117.5° |
| C4 | C5 | C6 | O1 | 176.8° | 50.3° |
| C4 | C5 | C34 | C35 | 93.5° | 91.9° |
| C4 | C5 | C36 | C35 | 92.1° | 87.8° |
| C4 | C5 | C36 | N6 | 26.7° | 28.8° |
| C5 | C4 | C3 | H5 | 63.5° | 64.6° |
| C5 | C4 | C3 | H6 | 177.2° | 174.9° |
| C4 | C5 | C34 | H35 | 150.5° | 22.6° |
| C4 | C5 | C34 | H36 | 22.5° | 153.6° |
| C4 | C5 | C36 | H39 | 156.6° | 159.4° |
| C5 | C4 | H7 | H8 | 119.8° | 119.2° |
| C4 | C5 | C6 | H10 | 56.8° | 69.7° |
| C4 | C5 | C6 | H9 | 63.2° | 170.4° |
| C6 | C5 | C34 | C36 | 114.1° | 113.8° |
| C5 | C6 | O1 | H10 | 120.0° | 120.0° |
| C5 | C6 | O1 | H9 | 120.0° | 120.0° |
| C5 | C6 | O1 | C7 | 169.1° | 180.0° |
| C6 | C5 | C34 | C35 | 138.8° | 139.5° |
| C6 | C5 | C36 | C35 | 141.3° | 139.6° |
| C6 | C5 | C36 | N6 | 99.9° | 103.8° |
| C6 | C5 | C34 | H35 | 22.9° | 106.1° |
| C6 | C5 | C34 | H36 | 105.2° | 25.0° |
| C6 | C5 | C36 | H39 | 30.0° | 26.8° |
| C6 | C5 | C4 | H7 | 31.0° | 24.1° |
| C6 | C5 | C4 | H8 | 150.9° | 143.3° |
| C5 | C6 | H10 | H9 | 120.2° | 120.0° |
| C34 | C5 | C6 | O1 | 52.1° | 78.3° |
| C5 | C34 | C35 | H35 | 116.0° | 114.4° |
| C5 | C34 | C35 | H36 | 116.0° | 114.6° |
| C34 | C5 | C36 | C35 | 25.3° | 25.7° |
| C34 | C5 | C36 | N6 | 144.1° | 142.3° |
| C5 | C34 | H35 | H36 | 130.7° | 131.4° |
| C5 | C34 | C35 | H37 | 141.4° | 139.9° |
| C5 | C34 | C35 | H38 | 90.7° | 89.0° |
| C34 | C5 | C36 | H39 | 86.0° | 87.1° |
| C34 | C5 | C4 | H7 | 99.8° | 104.9° |
| C34 | C5 | C4 | H8 | 20.1° | 14.3° |
| C34 | C5 | C6 | H10 | 172.1° | 161.7° |
| C34 | C5 | C6 | H9 | 67.9° | 41.7° |
| C36 | C5 | C6 | O1 | 46.1° | 175.1° |
| C5 | C36 | C35 | N6 | 119.8° | 119.3° |
| C5 | C36 | C35 | H39 | 110.7° | 112.4° |
| C5 | C36 | N6 | H39 | 129.4° | 130.6° |
| C5 | C36 | N6 | C37 | 166.6° | 165.5° |
| C36 | C5 | C34 | H35 | 91.3° | 140.1° |
| C36 | C5 | C34 | H36 | 140.7° | 88.9° |
| C5 | C36 | C35 | H37 | 140.6° | 140.2° |
| C5 | C36 | C35 | H38 | 91.4° | 88.6° |
| C36 | C5 | C4 | H7 | 159.7° | 157.0° |
| C36 | C5 | C4 | H8 | 80.4° | 83.8° |
| C36 | C5 | C6 | H10 | 73.8° | 64.9° |
| C36 | C5 | C6 | H9 | 166.1° | 55.1° |
| C6 | O1 | C7 | N1 | 4.4° | 180.0° |
| C6 | O1 | C7 | N3 | 171.7° | 0.9° |
| O1 | C6 | H10 | H9 | 120.1° | 120.1° |
| O1 | C7 | N1 | N3 | 175.7° | 179.0° |
| O1 | C7 | N1 | C8 | 177.8° | 177.9° |
| O1 | C7 | N3 | C13 | 176.9° | 179.9° |
| C7 | O1 | C6 | H10 | 49.1° | 60.0° |
| C7 | O1 | C6 | H9 | 70.9° | 60.0° |
| C7 | N1 | C8 | C9 | 4.3° | 2.1° |
| C7 | N1 | C8 | N5 | 167.7° | 177.5° |
| N1 | C7 | N3 | C13 | 1.1° | 1.1° |
| N3 | C7 | N1 | C8 | 2.2° | 3.1° |
| C7 | N3 | C13 | C9 | 2.1° | 5.8° |
| C7 | N3 | C13 | C12 | 177.6° | 174.1° |
| N1 | C8 | C9 | N5 | 170.5° | 179.6° |
| N1 | C8 | C9 | C10 | 174.7° | 170.8° |
| N1 | C8 | C9 | C13 | 5.2° | 8.7° |
| N1 | C8 | N5 | C32 | 9.5° | 4.8° |
| N1 | C8 | N5 | C33 | 148.3° | 114.5° |
| C8 | C9 | C10 | C13 | 179.9° | 179.5° |
| C8 | C9 | C10 | N2 | 179.0° | 170.9° |
| C8 | C9 | C13 | C12 | 179.9° | 169.4° |
| C8 | C9 | C13 | N3 | 4.1° | 10.6° |
| C9 | C8 | N5 | C32 | 179.2° | 175.7° |
| C9 | C8 | N5 | C33 | 23.0° | 65.0° |
| C8 | C9 | C10 | H11 | 1.0° | 9.8° |
| N5 | C8 | C9 | C10 | 14.8° | 9.6° |
| N5 | C8 | C9 | C13 | 165.3° | 170.9° |
| C8 | N5 | C33 | C28 | 101.0° | 176.1° |
| C8 | N5 | C32 | C31 | 100.5° | 176.2° |
| C8 | N5 | C32 | C33 | 158.4° | 119.6° |
| C8 | N5 | C32 | H31 | 19.4° | 63.7° |
| C8 | N5 | C32 | H32 | 139.5° | 56.2° |
| C8 | N5 | C33 | H33 | 138.6° | 55.7° |
| C8 | N5 | C33 | H34 | 19.4° | 63.4° |
| C9 | C10 | N2 | H11 | 180.0° | 179.3° |
| C9 | C10 | N2 | C11 | 2.7° | 1.0° |
| C10 | C9 | C13 | C12 | 0.2° | 11.1° |
| C10 | C9 | C13 | N3 | 175.8° | 168.9° |
| C13 | C9 | C10 | N2 | 1.1° | 9.7° |
| C9 | C13 | C12 | C11 | 4.1° | 2.5° |
| C9 | C13 | C12 | F1 | 174.8° | 175.1° |
| C9 | C13 | C12 | N3 | 175.8° | 179.9° |
| C13 | C9 | C10 | H11 | 178.9° | 169.7° |
| C10 | N2 | C11 | C12 | 6.8° | 10.1° |
| C10 | N2 | C11 | C14 | 177.7° | 172.0° |
| N2 | C11 | C12 | C14 | 176.0° | 177.8° |
| N2 | C11 | C12 | F1 | 177.5° | 174.5° |
| N2 | C11 | C12 | C13 | 8.0° | 8.0° |
| N2 | C11 | C14 | C15 | 69.2° | 142.9° |
| N2 | C11 | C14 | C23 | 118.5° | 39.3° |
| C11 | N2 | C10 | H11 | 177.3° | 179.7° |
| C11 | C12 | F1 | C13 | 170.8° | 177.5° |
| C11 | C12 | C13 | N3 | 179.9° | 177.5° |
| C12 | C11 | C14 | C15 | 106.5° | 35.0° |
| C12 | C11 | C14 | C23 | 65.8° | 142.8° |
| C14 | C11 | C12 | F1 | 6.5° | 3.4° |
| C14 | C11 | C12 | C13 | 176.1° | 174.2° |
| C11 | C14 | C15 | C23 | 172.7° | 177.9° |
| C11 | C14 | C15 | C16 | 172.9° | 178.3° |
| C11 | C14 | C23 | C18 | 170.0° | 173.9° |
| C11 | C14 | C23 | C22 | 8.4° | 7.9° |
| C11 | C14 | C15 | H12 | 7.1° | 0.9° |
| F1 | C12 | C13 | N3 | 9.4° | 4.9° |
| C14 | C15 | C16 | H12 | 180.0° | 179.2° |
| C14 | C15 | C16 | O2 | 177.1° | 179.4° |
| C14 | C15 | C16 | C17 | 2.8° | 1.0° |
| C15 | C14 | C23 | C18 | 2.2° | 8.4° |
| C15 | C14 | C23 | C22 | 179.4° | 169.8° |
| C23 | C14 | C15 | C16 | 0.2° | 3.8° |
| C14 | C23 | C18 | C17 | 2.1° | 8.4° |
| C14 | C23 | C18 | C19 | 177.7° | 171.0° |
| C14 | C23 | C18 | C22 | 178.6° | 178.3° |
| C14 | C23 | C22 | C21 | 179.9° | 171.0° |
| C14 | C23 | C22 | C24 | 9.4° | 10.3° |
| C23 | C14 | C15 | H12 | 179.8° | 177.0° |
| C15 | C16 | O2 | C17 | 180.0° | 179.6° |
| C15 | C16 | C17 | C18 | 2.9° | 1.1° |
| C15 | C16 | O2 | H13 | 180.0° | 89.9° |
| C15 | C16 | C17 | H14 | 177.1° | 178.9° |
| O2 | C16 | C17 | C18 | 177.1° | 179.3° |
| O2 | C16 | C15 | H12 | 2.9° | 1.4° |
| O2 | C16 | C17 | H14 | 2.9° | 0.7° |
| C16 | C17 | C18 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.8° | 175.8° |
| C16 | C17 | C18 | C23 | 0.4° | 3.7° |
| C17 | C16 | O2 | H13 | 0.0° | 89.6° |
| C17 | C16 | C15 | H12 | 177.1° | 178.2° |
| C17 | C18 | C19 | C23 | 179.8° | 179.5° |
| C17 | C18 | C19 | C20 | 178.6° | 176.1° |
| C17 | C18 | C23 | C22 | 179.3° | 169.9° |
| C17 | C18 | C19 | H15 | 1.4° | 3.6° |
| C18 | C19 | C20 | H15 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.1° | 1.7° |
| C19 | C18 | C23 | C22 | 0.9° | 10.6° |
| C19 | C18 | C17 | H14 | 0.1° | 4.2° |
| C18 | C19 | C20 | H16 | 179.9° | 178.3° |
| C23 | C18 | C19 | C20 | 1.6° | 4.5° |
| C18 | C23 | C22 | C21 | 1.5° | 10.7° |
| C18 | C23 | C22 | C24 | 172.1° | 167.9° |
| C23 | C18 | C17 | H14 | 179.6° | 176.4° |
| C23 | C18 | C19 | H15 | 178.4° | 175.8° |
| C19 | C20 | C21 | H16 | 180.0° | 179.9° |
| C19 | C20 | C21 | F2 | 178.1° | 179.6° |
| C19 | C20 | C21 | C22 | 2.6° | 1.6° |
| C20 | C21 | F2 | C22 | 179.4° | 178.8° |
| C20 | C21 | C22 | C23 | 3.2° | 4.8° |
| C20 | C21 | C22 | C24 | 174.7° | 173.9° |
| C21 | C20 | C19 | H15 | 179.9° | 178.0° |
| F2 | C21 | C22 | C23 | 177.4° | 174.0° |
| F2 | C21 | C22 | C24 | 6.0° | 7.3° |
| F2 | C21 | C20 | H16 | 1.9° | 0.4° |
| C21 | C22 | C23 | C24 | 170.6° | 178.6° |
| C21 | C22 | C24 | C25 | 102.1° | 33.8° |
| C22 | C21 | C20 | H16 | 177.4° | 178.5° |
| C21 | C22 | C24 | H17 | 139.3° | 86.2° |
| C21 | C22 | C24 | H18 | 16.4° | 153.7° |
| C23 | C22 | C24 | C25 | 68.7° | 144.9° |
| C23 | C22 | C24 | H17 | 49.8° | 95.2° |
| C23 | C22 | C24 | H18 | 172.8° | 24.9° |
| C22 | C24 | C25 | H17 | 118.5° | 120.3° |
| C22 | C24 | C25 | H18 | 118.5° | 120.7° |
| C22 | C24 | C25 | C26 | 169.7° | 113.1° |
| C22 | C24 | H17 | H18 | 124.2° | 120.0° |
| C22 | C24 | C25 | H19 | 48.7° | 128.1° |
| C22 | C24 | C25 | H20 | 69.3° | 8.7° |
| C24 | C25 | C26 | H19 | 121.0° | 118.9° |
| C24 | C25 | C26 | H20 | 121.0° | 122.0° |
| C24 | C25 | C26 | O3 | 56.7° | 68.9° |
| C25 | C24 | H17 | H18 | 124.2° | 118.1° |
| C24 | C25 | H19 | H20 | 116.8° | 120.6° |
| C24 | C25 | C26 | H21 | 64.9° | 51.0° |
| C24 | C25 | C26 | H22 | 178.2° | 170.6° |
| C25 | C26 | O3 | H21 | 121.5° | 120.0° |
| C25 | C26 | O3 | H22 | 121.6° | 120.3° |
| C25 | C26 | O3 | C27 | 110.7° | 121.3° |
| C26 | C25 | C24 | H17 | 71.8° | 7.2° |
| C26 | C25 | C24 | H18 | 51.2° | 126.2° |
| C26 | C25 | H19 | H20 | 116.7° | 119.9° |
| C25 | C26 | H21 | H22 | 115.0° | 119.6° |
| C26 | O3 | C27 | O4 | 10.2° | 1.5° |
| C26 | O3 | C27 | N4 | 172.1° | 178.3° |
| O3 | C26 | C25 | H19 | 177.7° | 50.0° |
| O3 | C26 | C25 | H20 | 64.4° | 169.1° |
| O3 | C26 | H21 | H22 | 115.0° | 119.8° |
| O3 | C27 | O4 | N4 | 177.5° | 179.9° |
| O3 | C27 | N4 | C28 | 29.1° | 2.1° |
| C27 | O3 | C26 | H21 | 10.8° | 118.7° |
| C27 | O3 | C26 | H22 | 127.7° | 1.0° |
| O3 | C27 | N4 | H23 | 150.9° | 178.1° |
| O4 | C27 | N4 | C28 | 153.3° | 177.8° |
| O4 | C27 | N4 | H23 | 26.8° | 2.0° |
| C27 | N4 | C28 | H23 | 180.0° | 179.8° |
| C27 | N4 | C28 | C29 | 44.0° | 66.8° |
| C27 | N4 | C28 | C30 | 162.7° | 174.5° |
| C27 | N4 | C28 | C33 | 77.2° | 54.4° |
| N4 | C28 | C29 | C30 | 115.5° | 118.2° |
| N4 | C28 | C29 | C33 | 124.8° | 121.1° |
| N4 | C28 | C30 | C33 | 123.7° | 120.1° |
| N4 | C28 | C30 | C31 | 72.6° | 172.9° |
| N4 | C28 | C33 | N5 | 66.3° | 177.1° |
| N4 | C28 | C29 | H24 | 180.0° | 58.2° |
| N4 | C28 | C29 | H25 | 60.0° | 61.9° |
| N4 | C28 | C29 | H26 | 60.0° | 178.1° |
| N4 | C28 | C30 | H27 | 48.1° | 52.2° |
| N4 | C28 | C30 | H28 | 166.8° | 66.6° |
| N4 | C28 | C33 | H33 | 173.3° | 63.3° |
| N4 | C28 | C33 | H34 | 54.0° | 57.5° |
| C29 | C28 | C30 | C33 | 119.6° | 120.9° |
| C29 | C28 | C30 | C31 | 170.7° | 68.1° |
| C29 | C28 | C33 | N5 | 172.9° | 62.1° |
| C28 | C29 | H24 | H25 | 120.0° | 120.0° |
| C28 | C29 | H24 | H26 | 120.0° | 120.0° |
| C28 | C29 | H25 | H26 | 120.0° | 120.0° |
| C29 | C28 | C30 | H27 | 68.7° | 171.1° |
| C29 | C28 | C30 | H28 | 50.1° | 52.3° |
| C29 | C28 | C33 | H33 | 52.6° | 57.4° |
| C29 | C28 | C33 | H34 | 66.7° | 178.3° |
| C29 | C28 | N4 | H23 | 136.0° | 113.0° |
| C28 | C30 | C31 | H27 | 120.6° | 120.6° |
| C28 | C30 | C31 | H28 | 120.6° | 120.2° |
| C28 | C30 | C31 | C32 | 52.9° | 53.6° |
| C30 | C28 | C33 | N5 | 52.1° | 58.1° |
| C30 | C28 | C29 | H24 | 64.5° | 60.0° |
| C30 | C28 | C29 | H25 | 55.5° | 180.0° |
| C30 | C28 | C29 | H26 | 175.5° | 59.9° |
| C28 | C30 | H27 | H28 | 118.1° | 119.0° |
| C28 | C30 | C31 | H29 | 67.4° | 173.2° |
| C28 | C30 | C31 | H30 | 173.1° | 67.8° |
| C30 | C28 | C33 | H33 | 68.3° | 177.6° |
| C30 | C28 | C33 | H34 | 172.5° | 61.5° |
| C30 | C28 | N4 | H23 | 17.3° | 5.7° |
| C33 | C28 | C30 | C31 | 51.1° | 52.8° |
| C28 | C33 | N5 | C32 | 58.6° | 64.0° |
| C28 | C33 | N5 | H33 | 120.4° | 120.4° |
| C28 | C33 | N5 | H34 | 120.4° | 120.5° |
| C33 | C28 | C29 | H24 | 55.2° | 179.3° |
| C33 | C28 | C29 | H25 | 175.2° | 59.2° |
| C33 | C28 | C29 | H26 | 64.8° | 60.8° |
| C33 | C28 | C30 | H27 | 171.8° | 68.0° |
| C33 | C28 | C30 | H28 | 69.5° | 173.3° |
| C28 | C33 | H33 | H34 | 118.9° | 121.0° |
| C33 | C28 | N4 | H23 | 102.8° | 125.8° |
| C30 | C31 | C32 | H29 | 120.2° | 119.6° |
| C30 | C31 | C32 | H30 | 120.2° | 121.7° |
| C30 | C31 | C32 | N5 | 53.5° | 59.4° |
| C31 | C30 | H27 | H28 | 118.1° | 119.7° |
| C30 | C31 | H29 | H30 | 119.3° | 120.2° |
| C30 | C31 | C32 | H31 | 173.5° | 59.9° |
| C30 | C31 | C32 | H32 | 66.4° | 178.5° |
| C31 | C32 | N5 | H31 | 119.9° | 120.1° |
| C31 | C32 | N5 | H32 | 120.0° | 120.0° |
| C31 | C32 | N5 | C33 | 57.9° | 64.2° |
| C32 | C31 | C30 | H27 | 173.5° | 66.9° |
| C32 | C31 | C30 | H28 | 67.8° | 173.9° |
| C32 | C31 | H29 | H30 | 119.3° | 119.5° |
| C31 | C32 | H31 | H32 | 120.1° | 121.4° |
| N5 | C32 | C31 | H29 | 66.7° | 179.0° |
| N5 | C32 | C31 | H30 | 173.8° | 62.3° |
| N5 | C32 | H31 | H32 | 120.1° | 118.7° |
| C32 | N5 | C33 | H33 | 61.8° | 175.6° |
| C32 | N5 | C33 | H34 | 179.0° | 56.5° |
| C33 | N5 | C32 | H31 | 177.8° | 55.9° |
| C33 | N5 | C32 | H32 | 62.1° | 175.8° |
| N5 | C33 | H33 | H34 | 118.9° | 118.3° |
| C34 | C35 | C36 | H37 | 116.0° | 114.4° |
| C34 | C35 | C36 | H38 | 116.0° | 114.4° |
| C34 | C35 | C36 | N6 | 144.4° | 145.1° |
| C35 | C34 | H35 | H36 | 130.6° | 131.4° |
| C34 | C35 | H37 | H38 | 130.5° | 131.5° |
| C34 | C35 | C36 | H39 | 86.2° | 86.6° |
| C35 | C36 | N6 | H39 | 129.2° | 128.5° |
| C35 | C36 | N6 | C37 | 65.2° | 64.6° |
| C36 | C35 | C34 | H35 | 90.6° | 139.9° |
| C36 | C35 | C34 | H36 | 141.3° | 89.1° |
| C36 | C35 | H37 | H38 | 130.6° | 131.6° |
| C36 | N6 | C2 | H4 | 70.2° | 61.3° |
| N6 | C36 | C35 | H37 | 99.6° | 100.5° |
| N6 | C36 | C35 | H38 | 28.4° | 30.7° |
| C36 | N6 | C37 | H40 | 43.4° | 176.8° |
| C36 | N6 | C37 | H41 | 76.6° | 56.9° |
| C36 | N6 | C37 | H42 | 163.4° | 63.2° |
| C37 | N6 | C2 | H4 | 63.4° | 64.4° |
| C37 | N6 | C36 | H39 | 64.0° | 63.9° |
| N6 | C37 | H40 | H41 | 120.0° | 119.9° |
| N6 | C37 | H40 | H42 | 120.0° | 120.0° |
| N6 | C37 | H41 | H42 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 63.9° | 179.8° |
| H2 | C1 | C2 | H4 | 56.2° | 59.8° |
| H3 | C1 | C2 | H4 | 176.1° | 60.2° |
| H4 | C2 | C3 | H5 | 176.5° | 172.6° |
| H4 | C2 | C3 | H6 | 64.3° | 67.0° |
| H5 | C3 | C4 | H7 | 56.6° | 55.7° |
| H5 | C3 | C4 | H8 | 176.5° | 175.0° |
| H6 | C3 | C4 | H7 | 62.7° | 64.7° |
| H6 | C3 | C4 | H8 | 57.2° | 54.6° |
| H15 | C19 | C20 | H16 | 0.1° | 1.9° |
| H17 | C24 | C25 | H19 | 167.2° | 111.6° |
| H17 | C24 | C25 | H20 | 49.3° | 128.9° |
| H18 | C24 | C25 | H19 | 69.8° | 7.4° |
| H18 | C24 | C25 | H20 | 172.2° | 112.0° |
| H19 | C25 | C26 | H21 | 56.2° | 170.0° |
| H19 | C25 | C26 | H22 | 60.7° | 70.5° |
| H20 | C25 | C26 | H21 | 174.1° | 71.0° |
| H20 | C25 | C26 | H22 | 57.2° | 48.6° |
| H24 | C29 | H25 | H26 | 120.0° | 120.0° |
| H27 | C30 | C31 | H29 | 53.3° | 52.6° |
| H27 | C30 | C31 | H30 | 66.3° | 171.7° |
| H28 | C30 | C31 | H29 | 172.0° | 66.6° |
| H28 | C30 | C31 | H30 | 52.5° | 52.5° |
| H29 | C31 | C32 | H31 | 53.3° | 59.7° |
| H29 | C31 | C32 | H32 | 173.3° | 61.9° |
| H30 | C31 | C32 | H31 | 66.3° | 178.4° |
| H30 | C31 | C32 | H32 | 53.8° | 56.8° |
| H35 | C34 | C35 | H37 | 25.4° | 105.7° |
| H35 | C34 | C35 | H38 | 153.4° | 25.4° |
| H36 | C34 | C35 | H37 | 102.6° | 25.3° |
| H36 | C34 | C35 | H38 | 25.3° | 156.4° |
| H37 | C35 | C36 | H39 | 29.9° | 27.8° |
| H38 | C35 | C36 | H39 | 157.8° | 159.0° |
| H40 | C37 | H41 | H42 | 120.0° | 120.1° |
