Obsolete: A1H59
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | doub | 1.29Å | 1.32Å | |
| C34 | N8 | doub | 1.32Å | 1.33Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| N8 | C33 | sing | 1.32Å | 1.33Å | Aromatic |
| C35 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| N2 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C30 | C27 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C29 | N7 | sing | 1.47Å | 1.45Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| N7 | C28 | sing | 1.35Å | 1.33Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | N6 | sing | 1.47Å | 1.46Å | |
| C28 | O4 | doub | 1.21Å | 1.23Å | |
| C7 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.51Å | |
| N6 | C26 | sing | 1.35Å | 1.33Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N3 | sing | 1.35Å | 1.34Å | |
| O3 | C26 | doub | 1.21Å | 1.23Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| N3 | C8 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | C10 | sing | 1.54Å | 1.56Å | |
| C25 | C15 | sing | 1.53Å | 1.54Å | |
| N4 | C15 | sing | 1.47Å | 1.48Å | |
| N4 | C14 | sing | 1.35Å | 1.34Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C8 | C14 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C14 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.54Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | doub | 1.37Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.45Å | Aromatic |
| C17 | C24 | doub | 1.34Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C23 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | N5 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C33 | H38 | sing | 1.08Å | 1.08Å | |
| C34 | H39 | sing | 1.08Å | 1.08Å | |
| C35 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C5 | C4 | 119.2° | 120.0° |
| C5 | N1 | H1 | 112.0° | 120.1° |
| N1 | C5 | H3 | 120.4° | 120.0° |
| N8 | C34 | C35 | 123.6° | 120.7° |
| C34 | N8 | C33 | 117.4° | 121.7° |
| N8 | C34 | H39 | 118.2° | 119.6° |
| C34 | C35 | C31 | 119.5° | 119.2° |
| C35 | C34 | H39 | 118.2° | 119.6° |
| C34 | C35 | H40 | 120.3° | 120.4° |
| C5 | C4 | N2 | 115.2° | 119.7° |
| C5 | C4 | C3 | 122.1° | 119.7° |
| C4 | C5 | H3 | 120.4° | 120.0° |
| N8 | C33 | C32 | 123.2° | 120.8° |
| N8 | C33 | H38 | 118.4° | 119.5° |
| C35 | C31 | C32 | 116.6° | 118.4° |
| C35 | C31 | C30 | 120.8° | 120.8° |
| C31 | C35 | H40 | 120.2° | 120.4° |
| C33 | C32 | C31 | 119.8° | 119.2° |
| C33 | C32 | H37 | 120.1° | 120.4° |
| C32 | C33 | H38 | 118.4° | 119.7° |
| C32 | C31 | C30 | 122.6° | 120.8° |
| C31 | C32 | H37 | 120.1° | 120.4° |
| C31 | C30 | C27 | 116.0° | 109.5° |
| C31 | C30 | H35 | 107.8° | 109.5° |
| C31 | C30 | H36 | 107.8° | 109.5° |
| C4 | N2 | C6 | 118.4° | 122.0° |
| N2 | C4 | C3 | 122.7° | 120.6° |
| N2 | C6 | C7 | 123.0° | 121.1° |
| N2 | C6 | H4 | 118.5° | 119.5° |
| C4 | C3 | C2 | 118.0° | 118.9° |
| C4 | C3 | H15 | 121.0° | 120.5° |
| C30 | C27 | C28 | 109.5° | 109.5° |
| C30 | C27 | N6 | 113.7° | 109.5° |
| C30 | C27 | H30 | 107.4° | 109.5° |
| C27 | C30 | H35 | 107.8° | 109.5° |
| C27 | C30 | H36 | 107.8° | 109.4° |
| C6 | C7 | C2 | 118.5° | 119.2° |
| C7 | C6 | H4 | 118.5° | 119.5° |
| C6 | C7 | H5 | 120.8° | 120.4° |
| C29 | N7 | C28 | 121.8° | 120.0° |
| C29 | N7 | H31 | 119.1° | 120.0° |
| N7 | C29 | H32 | 109.5° | 109.5° |
| N7 | C29 | H33 | 109.5° | 109.4° |
| N7 | C29 | H34 | 109.5° | 109.5° |
| C3 | C2 | C7 | 119.5° | 118.3° |
| C3 | C2 | C1 | 120.1° | 120.8° |
| C2 | C3 | H15 | 121.0° | 120.6° |
| N7 | C28 | C27 | 117.5° | 120.0° |
| N7 | C28 | O4 | 122.8° | 120.0° |
| C28 | N7 | H31 | 119.1° | 120.0° |
| C28 | C27 | N6 | 110.2° | 109.4° |
| C27 | C28 | O4 | 119.7° | 120.0° |
| C28 | C27 | H30 | 107.5° | 109.4° |
| C27 | N6 | C26 | 118.8° | 120.0° |
| C27 | N6 | H29 | 120.6° | 120.0° |
| N6 | C27 | H30 | 108.4° | 109.5° |
| C7 | C2 | C1 | 120.3° | 120.9° |
| C2 | C7 | H5 | 120.8° | 120.4° |
| C2 | C1 | O1 | 119.2° | 120.0° |
| C2 | C1 | N3 | 114.7° | 120.0° |
| N6 | C26 | O3 | 120.1° | 120.0° |
| N6 | C26 | C25 | 119.7° | 120.0° |
| C26 | N6 | H29 | 120.6° | 120.0° |
| O1 | C1 | N3 | 126.1° | 120.0° |
| C1 | N3 | C8 | 128.9° | 120.0° |
| C1 | N3 | H2 | 115.5° | 120.0° |
| O3 | C26 | C25 | 120.2° | 120.0° |
| C26 | C25 | C15 | 113.9° | 109.4° |
| C26 | C25 | H27 | 108.3° | 109.5° |
| C26 | C25 | H28 | 108.3° | 109.5° |
| N3 | C8 | C14 | 113.7° | 109.5° |
| N3 | C8 | C9 | 111.4° | 109.5° |
| C8 | N3 | H2 | 115.6° | 119.9° |
| N3 | C8 | H6 | 104.9° | 109.4° |
| C12 | C11 | C10 | 88.8° | 87.1° |
| C11 | C12 | C13 | 89.0° | 87.1° |
| C12 | C11 | H18 | 114.4° | 113.6° |
| C12 | C11 | H19 | 114.4° | 113.6° |
| C11 | C12 | H20 | 114.3° | 113.6° |
| C11 | C12 | H21 | 114.3° | 113.7° |
| C11 | C10 | C9 | 118.6° | 113.7° |
| C11 | C10 | C13 | 88.7° | 87.1° |
| C11 | C10 | H7 | 109.2° | 113.6° |
| C10 | C11 | H18 | 114.4° | 113.6° |
| C10 | C11 | H19 | 114.4° | 113.6° |
| C25 | C15 | N4 | 116.1° | 109.5° |
| C25 | C15 | C16 | 110.0° | 109.5° |
| C25 | C15 | H10 | 105.3° | 109.5° |
| C15 | C25 | H27 | 108.4° | 109.5° |
| C15 | C25 | H28 | 108.4° | 109.5° |
| C15 | N4 | C14 | 128.4° | 120.0° |
| N4 | C15 | C16 | 113.2° | 109.5° |
| N4 | C15 | H10 | 105.9° | 109.4° |
| C15 | N4 | H22 | 115.8° | 120.0° |
| N4 | C14 | C8 | 119.2° | 120.0° |
| N4 | C14 | O2 | 123.0° | 120.0° |
| C14 | N4 | H22 | 115.8° | 120.0° |
| C15 | C16 | C17 | 118.6° | 109.5° |
| C16 | C15 | H10 | 105.3° | 109.4° |
| C15 | C16 | H23 | 107.1° | 109.5° |
| C15 | C16 | H24 | 107.1° | 109.5° |
| C14 | C8 | C9 | 117.0° | 109.5° |
| C8 | C14 | O2 | 117.7° | 120.0° |
| C14 | C8 | H6 | 104.1° | 109.5° |
| C8 | C9 | C10 | 110.1° | 109.5° |
| C9 | C8 | H6 | 104.2° | 109.5° |
| C8 | C9 | H16 | 109.3° | 109.5° |
| C8 | C9 | H17 | 109.3° | 109.4° |
| C12 | C13 | C10 | 88.8° | 87.1° |
| C12 | C13 | H8 | 114.4° | 113.6° |
| C12 | C13 | H9 | 114.4° | 113.7° |
| C13 | C12 | H20 | 114.3° | 113.6° |
| C13 | C12 | H21 | 114.3° | 113.6° |
| C9 | C10 | C13 | 119.5° | 113.6° |
| C9 | C10 | H7 | 109.5° | 112.8° |
| C10 | C9 | H16 | 109.3° | 109.5° |
| C10 | C9 | H17 | 109.3° | 109.5° |
| C13 | C10 | H7 | 109.6° | 113.6° |
| C10 | C13 | H8 | 114.4° | 113.6° |
| C10 | C13 | H9 | 114.4° | 113.6° |
| C16 | C17 | C18 | 128.5° | 126.6° |
| C16 | C17 | C24 | 125.5° | 126.4° |
| C17 | C16 | H23 | 107.1° | 109.4° |
| C17 | C16 | H24 | 107.1° | 109.5° |
| C20 | C19 | C18 | 119.1° | 119.7° |
| C19 | C20 | C21 | 121.1° | 120.6° |
| C19 | C20 | H11 | 119.4° | 119.7° |
| C20 | C19 | H25 | 120.4° | 120.1° |
| C19 | C18 | C17 | 134.7° | 134.0° |
| C19 | C18 | C23 | 118.4° | 119.9° |
| C18 | C19 | H25 | 120.4° | 120.2° |
| C18 | C17 | C24 | 105.8° | 107.0° |
| C17 | C18 | C23 | 106.9° | 106.1° |
| C17 | C24 | N5 | 110.6° | 109.9° |
| C17 | C24 | H14 | 124.7° | 125.1° |
| C20 | C21 | C22 | 121.5° | 120.7° |
| C21 | C20 | H11 | 119.5° | 119.7° |
| C20 | C21 | H12 | 119.2° | 119.7° |
| C18 | C23 | N5 | 107.8° | 107.1° |
| C18 | C23 | C22 | 122.6° | 119.4° |
| C24 | N5 | C23 | 108.9° | 109.9° |
| N5 | C24 | H14 | 124.7° | 125.0° |
| C24 | N5 | H26 | 125.6° | 125.1° |
| C21 | C22 | C23 | 117.2° | 119.8° |
| C22 | C21 | H12 | 119.3° | 119.7° |
| C21 | C22 | H13 | 121.4° | 120.1° |
| N5 | C23 | C22 | 129.6° | 133.5° |
| C23 | N5 | H26 | 125.5° | 125.0° |
| C23 | C22 | H13 | 121.4° | 120.1° |
| H8 | C13 | H9 | 109.4° | 112.8° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 112.9° |
| H20 | C12 | H21 | 109.5° | 112.9° |
| H23 | C16 | H24 | 109.5° | 109.4° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H34 | 109.4° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C5 | C4 | H3 | 180.0° | 179.9° |
| N1 | C5 | C4 | N2 | 2.0° | 0.2° |
| N1 | C5 | C4 | C3 | 175.1° | 179.9° |
| N8 | C34 | C35 | H39 | 180.0° | 179.9° |
| N8 | C34 | C35 | C31 | 0.6° | 0.5° |
| C34 | N8 | C33 | C32 | 1.0° | 0.1° |
| C34 | N8 | C33 | H38 | 179.1° | 180.0° |
| N8 | C34 | C35 | H40 | 179.4° | 180.0° |
| C35 | C34 | N8 | C33 | 0.5° | 0.2° |
| C34 | C35 | C31 | H40 | 180.0° | 179.5° |
| C34 | C35 | C31 | C32 | 1.2° | 0.5° |
| C34 | C35 | C31 | C30 | 179.7° | 179.8° |
| C5 | C4 | N2 | C3 | 177.0° | 179.7° |
| C5 | C4 | N2 | C6 | 178.6° | 179.7° |
| C5 | C4 | C3 | C2 | 178.3° | 180.0° |
| C4 | C5 | N1 | H1 | 0.0° | 0.0° |
| C5 | C4 | C3 | H15 | 1.7° | 0.1° |
| N8 | C33 | C32 | H38 | 180.0° | 180.0° |
| N8 | C33 | C32 | C31 | 0.4° | 0.1° |
| N8 | C33 | C32 | H37 | 179.7° | 180.0° |
| C33 | N8 | C34 | H39 | 179.5° | 179.9° |
| C35 | C31 | C32 | C33 | 0.7° | 0.2° |
| C35 | C31 | C32 | C30 | 179.1° | 179.7° |
| C35 | C31 | C30 | C27 | 146.0° | 90.3° |
| C35 | C31 | C30 | H35 | 25.0° | 149.7° |
| C35 | C31 | C30 | H36 | 93.1° | 29.7° |
| C35 | C31 | C32 | H37 | 179.3° | 179.7° |
| C31 | C35 | C34 | H39 | 179.4° | 179.7° |
| C33 | C32 | C31 | H37 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 179.8° | 180.0° |
| C32 | C31 | C30 | C27 | 34.9° | 90.0° |
| C32 | C31 | C30 | H35 | 155.9° | 30.0° |
| C32 | C31 | C30 | H36 | 86.0° | 150.0° |
| C31 | C32 | C33 | H38 | 179.7° | 180.0° |
| C32 | C31 | C35 | H40 | 178.8° | 180.0° |
| C31 | C30 | C27 | H35 | 121.0° | 120.0° |
| C31 | C30 | C27 | H36 | 121.0° | 120.0° |
| C31 | C30 | C27 | C28 | 154.0° | 175.0° |
| C31 | C30 | C27 | N6 | 82.3° | 65.0° |
| C31 | C30 | C27 | H30 | 37.6° | 55.0° |
| C31 | C30 | H35 | H36 | 117.0° | 120.0° |
| C30 | C31 | C32 | H37 | 0.1° | 0.0° |
| C30 | C31 | C35 | H40 | 0.3° | 0.3° |
| C4 | N2 | C6 | C7 | 0.5° | 0.0° |
| N2 | C4 | C3 | C2 | 1.5° | 0.3° |
| N2 | C4 | C5 | H3 | 178.0° | 179.7° |
| C4 | N2 | C6 | H4 | 179.5° | 179.7° |
| N2 | C4 | C3 | H15 | 178.6° | 179.8° |
| C6 | N2 | C4 | C3 | 1.6° | 0.0° |
| N2 | C6 | C7 | H4 | 180.0° | 179.7° |
| N2 | C6 | C7 | C2 | 0.7° | 0.3° |
| N2 | C6 | C7 | H5 | 179.3° | 179.8° |
| C4 | C3 | C2 | H15 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 0.2° | 0.5° |
| C4 | C3 | C2 | C1 | 176.4° | 179.9° |
| C3 | C4 | C5 | H3 | 4.9° | 0.0° |
| C30 | C27 | C28 | N7 | 54.5° | 60.0° |
| C30 | C27 | C28 | N6 | 125.7° | 120.0° |
| C30 | C27 | C28 | H30 | 116.4° | 120.0° |
| C30 | C27 | N6 | H30 | 119.3° | 120.0° |
| C30 | C27 | C28 | O4 | 123.9° | 120.0° |
| C30 | C27 | N6 | C26 | 160.1° | 155.0° |
| C30 | C27 | N6 | H29 | 19.9° | 25.0° |
| C27 | C30 | H35 | H36 | 117.0° | 120.0° |
| C6 | C7 | C2 | C3 | 0.8° | 0.5° |
| C6 | C7 | C2 | H5 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 175.4° | 179.9° |
| C29 | N7 | C28 | H31 | 180.0° | 179.9° |
| C29 | N7 | C28 | C27 | 146.5° | 180.0° |
| C29 | N7 | C28 | O4 | 31.8° | 0.0° |
| N7 | C29 | H32 | H33 | 120.0° | 119.9° |
| N7 | C29 | H32 | H34 | 120.0° | 120.0° |
| N7 | C29 | H33 | H34 | 120.0° | 120.0° |
| C3 | C2 | C7 | C1 | 176.2° | 179.5° |
| C3 | C2 | C1 | O1 | 43.0° | 0.5° |
| C3 | C2 | C1 | N3 | 138.0° | 179.5° |
| C3 | C2 | C7 | H5 | 179.2° | 179.5° |
| N7 | C28 | C27 | O4 | 178.4° | 180.0° |
| N7 | C28 | C27 | N6 | 71.3° | 180.0° |
| N7 | C28 | C27 | H30 | 170.8° | 60.0° |
| C28 | N7 | C29 | H32 | 180.0° | 60.0° |
| C28 | N7 | C29 | H33 | 60.0° | 60.0° |
| C28 | N7 | C29 | H34 | 60.0° | 180.0° |
| C28 | C27 | N6 | H30 | 117.4° | 120.0° |
| C28 | C27 | N6 | C26 | 76.6° | 85.0° |
| C28 | C27 | N6 | H29 | 103.4° | 95.0° |
| C27 | C28 | N7 | H31 | 33.5° | 0.1° |
| C28 | C27 | C30 | H35 | 85.0° | 55.0° |
| C28 | C27 | C30 | H36 | 33.1° | 65.0° |
| N6 | C27 | C28 | O4 | 110.4° | 0.0° |
| C27 | N6 | C26 | H29 | 180.0° | 180.0° |
| C27 | N6 | C26 | O3 | 11.5° | 0.0° |
| C27 | N6 | C26 | C25 | 166.7° | 180.0° |
| N6 | C27 | C30 | H35 | 38.7° | 175.0° |
| N6 | C27 | C30 | H36 | 156.7° | 55.0° |
| O4 | C28 | C27 | H30 | 7.5° | 120.0° |
| O4 | C28 | N7 | H31 | 148.2° | 180.0° |
| C7 | C2 | C1 | O1 | 133.1° | 180.0° |
| C7 | C2 | C1 | N3 | 45.9° | 0.0° |
| C2 | C7 | C6 | H4 | 179.3° | 180.0° |
| C7 | C2 | C3 | H15 | 179.8° | 179.6° |
| C2 | C1 | O1 | N3 | 178.9° | 179.9° |
| C2 | C1 | N3 | C8 | 168.4° | 180.0° |
| C2 | C1 | N3 | H2 | 11.6° | 0.1° |
| C1 | C2 | C7 | H5 | 4.6° | 0.0° |
| C1 | C2 | C3 | H15 | 3.6° | 0.0° |
| N6 | C26 | O3 | C25 | 178.2° | 180.0° |
| N6 | C26 | C25 | C15 | 102.0° | 180.0° |
| N6 | C26 | C25 | H27 | 18.7° | 60.0° |
| N6 | C26 | C25 | H28 | 137.3° | 60.0° |
| C26 | N6 | C27 | H30 | 40.8° | 35.0° |
| O1 | C1 | N3 | C8 | 10.5° | 0.0° |
| O1 | C1 | N3 | H2 | 169.5° | 180.0° |
| C1 | N3 | C8 | H2 | 180.0° | 179.9° |
| C1 | N3 | C8 | C14 | 74.8° | 155.0° |
| C1 | N3 | C8 | C9 | 59.9° | 85.0° |
| C1 | N3 | C8 | H6 | 172.0° | 35.0° |
| O3 | C26 | C25 | C15 | 79.8° | 0.0° |
| O3 | C26 | C25 | H27 | 159.5° | 120.0° |
| O3 | C26 | C25 | H28 | 40.9° | 120.0° |
| O3 | C26 | N6 | H29 | 168.5° | 180.0° |
| C26 | C25 | C15 | H27 | 120.6° | 120.0° |
| C26 | C25 | C15 | H28 | 120.7° | 120.0° |
| C26 | C25 | C15 | N4 | 46.6° | 65.0° |
| C26 | C25 | C15 | C16 | 176.8° | 175.0° |
| C26 | C25 | C15 | H10 | 70.2° | 55.0° |
| C26 | C25 | H27 | H28 | 117.9° | 120.0° |
| C25 | C26 | N6 | H29 | 13.2° | 0.0° |
| N3 | C8 | C14 | N4 | 79.4° | 180.0° |
| N3 | C8 | C14 | C9 | 132.1° | 120.0° |
| N3 | C8 | C14 | H6 | 113.6° | 120.0° |
| N3 | C8 | C9 | H6 | 112.5° | 119.9° |
| N3 | C8 | C14 | O2 | 96.4° | 0.0° |
| N3 | C8 | C9 | C10 | 66.2° | 65.0° |
| N3 | C8 | C9 | H16 | 53.9° | 55.0° |
| N3 | C8 | C9 | H17 | 173.7° | 175.1° |
| C12 | C11 | C10 | H18 | 116.3° | 114.5° |
| C12 | C11 | C10 | H19 | 116.3° | 114.6° |
| C11 | C12 | C13 | H20 | 116.3° | 114.5° |
| C11 | C12 | C13 | H21 | 116.4° | 114.6° |
| C12 | C11 | C10 | C9 | 139.6° | 140.0° |
| C12 | C11 | C10 | C13 | 16.4° | 25.5° |
| C12 | C11 | C10 | H7 | 94.0° | 89.1° |
| C11 | C12 | C13 | H8 | 132.8° | 89.1° |
| C11 | C12 | C13 | H9 | 99.9° | 140.0° |
| C12 | C11 | H18 | H19 | 129.8° | 131.2° |
| C11 | C12 | H20 | H21 | 129.8° | 131.3° |
| C11 | C10 | C9 | C8 | 94.1° | 87.5° |
| C11 | C10 | C9 | C13 | 106.2° | 97.5° |
| C11 | C10 | C9 | H7 | 126.2° | 131.3° |
| C11 | C10 | C13 | H7 | 110.0° | 114.6° |
| C11 | C10 | C13 | H8 | 132.4° | 89.1° |
| C11 | C10 | C13 | H9 | 100.3° | 140.1° |
| C11 | C10 | C9 | H16 | 26.0° | 32.5° |
| C11 | C10 | C9 | H17 | 145.8° | 152.6° |
| C10 | C11 | H18 | H19 | 129.8° | 131.3° |
| C10 | C11 | C12 | H20 | 100.2° | 139.9° |
| C10 | C11 | C12 | H21 | 132.5° | 89.1° |
| C25 | C15 | N4 | C16 | 128.7° | 120.0° |
| C25 | C15 | N4 | H10 | 116.4° | 120.1° |
| C25 | C15 | N4 | C14 | 48.8° | 155.0° |
| C25 | C15 | C16 | H10 | 113.0° | 120.0° |
| C25 | C15 | C16 | C17 | 114.7° | 175.0° |
| C25 | C15 | N4 | H22 | 131.2° | 25.0° |
| C25 | C15 | C16 | H23 | 124.0° | 55.0° |
| C25 | C15 | C16 | H24 | 6.6° | 65.0° |
| C15 | C25 | H27 | H28 | 118.0° | 120.1° |
| C15 | N4 | C14 | H22 | 180.0° | 180.0° |
| N4 | C15 | C16 | H10 | 115.3° | 119.9° |
| C15 | N4 | C14 | C8 | 172.1° | 180.0° |
| C15 | N4 | C14 | O2 | 3.6° | 0.0° |
| N4 | C15 | C16 | C17 | 17.0° | 65.0° |
| N4 | C15 | C16 | H23 | 104.3° | 175.0° |
| N4 | C15 | C16 | H24 | 138.3° | 55.1° |
| N4 | C15 | C25 | H27 | 167.2° | 55.0° |
| N4 | C15 | C25 | H28 | 74.1° | 175.0° |
| C14 | N4 | C15 | C16 | 79.9° | 84.9° |
| N4 | C14 | C8 | O2 | 175.9° | 180.0° |
| N4 | C14 | C8 | C9 | 52.7° | 60.0° |
| N4 | C14 | C8 | H6 | 167.0° | 60.0° |
| C14 | N4 | C15 | H10 | 165.2° | 35.0° |
| C15 | C16 | C17 | H23 | 121.3° | 120.0° |
| C15 | C16 | C17 | H24 | 121.3° | 120.1° |
| C15 | C16 | C17 | C18 | 70.5° | 85.0° |
| C15 | C16 | C17 | C24 | 116.6° | 95.3° |
| C16 | C15 | N4 | H22 | 100.1° | 95.0° |
| C15 | C16 | H23 | H24 | 115.9° | 120.0° |
| C16 | C15 | C25 | H27 | 62.6° | 65.0° |
| C16 | C15 | C25 | H28 | 56.1° | 55.0° |
| C14 | C8 | C9 | H6 | 114.3° | 120.0° |
| C14 | C8 | C9 | C10 | 160.6° | 175.0° |
| C14 | C8 | N3 | H2 | 105.1° | 25.0° |
| C14 | C8 | C9 | H16 | 79.3° | 65.0° |
| C14 | C8 | C9 | H17 | 40.5° | 55.0° |
| C8 | C14 | N4 | H22 | 7.9° | 0.0° |
| C9 | C8 | C14 | O2 | 131.4° | 120.0° |
| C8 | C9 | C10 | H16 | 120.1° | 120.0° |
| C8 | C9 | C10 | H17 | 120.1° | 119.9° |
| C8 | C9 | C10 | C13 | 159.7° | 175.0° |
| C9 | C8 | N3 | H2 | 120.1° | 95.0° |
| C8 | C9 | C10 | H7 | 32.1° | 43.8° |
| C8 | C9 | H16 | H17 | 119.7° | 120.0° |
| C12 | C13 | C10 | C9 | 138.5° | 140.1° |
| C12 | C13 | C10 | H8 | 116.4° | 114.6° |
| C12 | C13 | C10 | H9 | 116.3° | 114.6° |
| C12 | C13 | C10 | H7 | 93.9° | 89.1° |
| C12 | C13 | H8 | H9 | 129.8° | 131.3° |
| C13 | C12 | C11 | H18 | 100.2° | 140.0° |
| C13 | C12 | C11 | H19 | 132.4° | 89.1° |
| C13 | C12 | H20 | H21 | 129.7° | 131.2° |
| O2 | C14 | C8 | H6 | 17.2° | 120.0° |
| O2 | C14 | N4 | H22 | 176.4° | 180.0° |
| C9 | C10 | C13 | H7 | 127.5° | 130.8° |
| C10 | C9 | C8 | H6 | 46.3° | 55.0° |
| C9 | C10 | C13 | H8 | 105.1° | 25.5° |
| C9 | C10 | C13 | H9 | 22.2° | 105.3° |
| C10 | C9 | H16 | H17 | 119.7° | 120.0° |
| C9 | C10 | C11 | H18 | 23.3° | 105.5° |
| C9 | C10 | C11 | H19 | 104.0° | 25.4° |
| C10 | C13 | H8 | H9 | 129.8° | 131.2° |
| C13 | C10 | C9 | H16 | 80.2° | 65.0° |
| C13 | C10 | C9 | H17 | 39.6° | 55.1° |
| C13 | C10 | C11 | H18 | 100.0° | 140.0° |
| C13 | C10 | C11 | H19 | 132.7° | 89.1° |
| C10 | C13 | C12 | H20 | 99.9° | 140.0° |
| C10 | C13 | C12 | H21 | 132.8° | 89.1° |
| C16 | C17 | C18 | C19 | 6.1° | 0.3° |
| C16 | C17 | C18 | C24 | 174.0° | 179.7° |
| C16 | C17 | C18 | C23 | 175.4° | 179.7° |
| C16 | C17 | C24 | N5 | 176.2° | 179.8° |
| C17 | C16 | C15 | H10 | 132.3° | 54.9° |
| C16 | C17 | C24 | H14 | 3.8° | 0.3° |
| C17 | C16 | H23 | H24 | 115.9° | 120.0° |
| C20 | C19 | C18 | H25 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 178.1° | 180.0° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.3° | 0.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | C23 | 178.5° | 180.0° |
| C19 | C18 | C17 | C24 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C18 | C23 | N5 | 179.1° | 180.0° |
| C19 | C18 | C23 | C22 | 0.3° | 0.0° |
| C18 | C19 | C20 | H11 | 179.8° | 180.0° |
| C18 | C17 | C24 | N5 | 2.0° | 0.0° |
| C17 | C18 | C23 | N5 | 0.3° | 0.0° |
| C17 | C18 | C23 | C22 | 178.5° | 180.0° |
| C18 | C17 | C24 | H14 | 178.0° | 180.0° |
| C18 | C17 | C16 | H23 | 50.8° | 35.0° |
| C18 | C17 | C16 | H24 | 168.2° | 155.0° |
| C17 | C18 | C19 | H25 | 1.9° | 0.1° |
| C24 | C17 | C18 | C23 | 1.4° | 0.0° |
| C17 | C24 | N5 | H14 | 180.0° | 180.0° |
| C17 | C24 | N5 | C23 | 1.9° | 0.0° |
| C24 | C17 | C16 | H23 | 122.1° | 144.7° |
| C24 | C17 | C16 | H24 | 4.7° | 24.7° |
| C17 | C24 | N5 | H26 | 178.1° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C20 | C21 | C22 | H13 | 180.0° | 180.0° |
| C21 | C20 | C19 | H25 | 179.8° | 179.9° |
| C18 | C23 | N5 | C24 | 0.9° | 0.0° |
| C18 | C23 | C22 | C21 | 0.1° | 0.1° |
| C18 | C23 | N5 | C22 | 178.7° | 179.9° |
| C18 | C23 | C22 | H13 | 179.9° | 180.0° |
| C23 | C18 | C19 | H25 | 179.7° | 179.9° |
| C18 | C23 | N5 | H26 | 179.1° | 180.0° |
| C24 | N5 | C23 | H26 | 180.0° | 180.0° |
| C24 | N5 | C23 | C22 | 179.6° | 180.0° |
| C21 | C22 | C23 | N5 | 178.7° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | H11 | 180.0° | 180.0° |
| N5 | C23 | C22 | H13 | 1.3° | 0.0° |
| C23 | N5 | C24 | H14 | 178.1° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 180.0° |
| C22 | C23 | N5 | H26 | 0.3° | 0.0° |
| H1 | N1 | C5 | H3 | 180.0° | 180.0° |
| H2 | N3 | C8 | H6 | 8.0° | 145.0° |
| H4 | C6 | C7 | H5 | 0.7° | 0.1° |
| H6 | C8 | C9 | H16 | 166.4° | 175.0° |
| H6 | C8 | C9 | H17 | 73.7° | 65.0° |
| H7 | C10 | C13 | H8 | 22.4° | 156.3° |
| H7 | C10 | C13 | H9 | 149.7° | 25.5° |
| H7 | C10 | C9 | H16 | 152.2° | 163.8° |
| H7 | C10 | C9 | H17 | 88.0° | 76.1° |
| H7 | C10 | C11 | H18 | 149.7° | 25.4° |
| H7 | C10 | C11 | H19 | 22.4° | 156.3° |
| H8 | C13 | C12 | H20 | 16.4° | 25.4° |
| H8 | C13 | C12 | H21 | 110.9° | 156.3° |
| H9 | C13 | C12 | H20 | 143.7° | 105.5° |
| H9 | C13 | C12 | H21 | 16.4° | 25.4° |
| H10 | C15 | N4 | H22 | 14.8° | 145.1° |
| H10 | C15 | C16 | H23 | 11.0° | 65.1° |
| H10 | C15 | C16 | H24 | 106.4° | 175.0° |
| H10 | C15 | C25 | H27 | 50.4° | 175.0° |
| H10 | C15 | C25 | H28 | 169.1° | 64.9° |
| H11 | C20 | C21 | H12 | 0.0° | 0.0° |
| H11 | C20 | C19 | H25 | 0.2° | 0.0° |
| H12 | C21 | C22 | H13 | 0.0° | 0.0° |
| H14 | C24 | N5 | H26 | 1.9° | 0.0° |
| H18 | C11 | C12 | H20 | 143.4° | 105.5° |
| H18 | C11 | C12 | H21 | 16.1° | 25.4° |
| H19 | C11 | C12 | H20 | 16.1° | 25.4° |
| H19 | C11 | C12 | H21 | 111.2° | 156.3° |
| H29 | N6 | C27 | H30 | 139.3° | 145.0° |
| H30 | C27 | C30 | H35 | 158.6° | 65.0° |
| H30 | C27 | C30 | H36 | 83.4° | 175.0° |
| H31 | N7 | C29 | H32 | 0.0° | 120.0° |
| H31 | N7 | C29 | H33 | 120.0° | 120.1° |
| H31 | N7 | C29 | H34 | 120.0° | 0.0° |
| H32 | C29 | H33 | H34 | 120.0° | 120.0° |
| H37 | C32 | C33 | H38 | 0.3° | 0.0° |
| H39 | C34 | C35 | H40 | 0.6° | 0.2° |
