A1H7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C12 | trip | 1.14Å | 1.32Å | |
| C21 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C10 | sing | 1.43Å | 1.45Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| N2 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C24 | sing | 1.51Å | 1.54Å | |
| C17 | N5 | sing | 1.46Å | 1.46Å | |
| O4 | C24 | doub | 1.21Å | 1.25Å | |
| C24 | O5 | sing | 1.34Å | 1.26Å | |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.50Å | |
| N5 | C16 | sing | 1.35Å | 1.33Å | |
| O1 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.34Å | |
| C16 | O3 | doub | 1.21Å | 1.22Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| N1 | C5 | sing | 1.46Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C13 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C14 | N4 | sing | 1.47Å | 1.46Å | |
| C14 | C25 | sing | 1.53Å | 1.55Å | |
| N4 | C13 | sing | 1.35Å | 1.34Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C32 | C31 | doub | 1.37Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C33 | sing | 1.46Å | 1.44Å | Aromatic |
| C26 | C27 | doub | 1.34Å | 1.36Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C28 | doub | 1.41Å | 1.41Å | Aromatic |
| C27 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| O5 | H29 | sing | 0.97Å | 0.95Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| N7 | H33 | sing | 0.97Å | 1.00Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C12 | C10 | 118.5° | 180.0° |
| N6 | C21 | C20 | 123.5° | 120.8° |
| C21 | N6 | C22 | 116.7° | 121.7° |
| N6 | C21 | H11 | 118.2° | 119.6° |
| C21 | C20 | C19 | 120.0° | 119.2° |
| C21 | C20 | H10 | 120.0° | 120.4° |
| C20 | C21 | H11 | 118.2° | 119.7° |
| N6 | C22 | C23 | 123.6° | 120.7° |
| N6 | C22 | H12 | 118.2° | 119.6° |
| C12 | C10 | N2 | 114.4° | 119.7° |
| C12 | C10 | C11 | 122.0° | 119.7° |
| C20 | C19 | C23 | 116.4° | 118.4° |
| C20 | C19 | C18 | 121.5° | 120.8° |
| C19 | C20 | H10 | 120.0° | 120.4° |
| C22 | C23 | C19 | 119.8° | 119.2° |
| C23 | C22 | H12 | 118.2° | 119.7° |
| C22 | C23 | H28 | 120.1° | 120.4° |
| C23 | C19 | C18 | 122.0° | 120.8° |
| C19 | C23 | H28 | 120.1° | 120.4° |
| C19 | C18 | C17 | 116.4° | 109.5° |
| C19 | C18 | H26 | 107.7° | 109.5° |
| C19 | C18 | H27 | 107.7° | 109.5° |
| C10 | N2 | C9 | 117.4° | 121.9° |
| N2 | C10 | C11 | 123.5° | 120.7° |
| N2 | C9 | C8 | 123.3° | 121.1° |
| N2 | C9 | H20 | 118.4° | 119.4° |
| C10 | C11 | C7 | 118.5° | 118.9° |
| C10 | C11 | H21 | 120.7° | 120.6° |
| C18 | C17 | C24 | 106.6° | 109.5° |
| C18 | C17 | N5 | 111.4° | 109.5° |
| C18 | C17 | H9 | 107.8° | 109.5° |
| C17 | C18 | H26 | 107.7° | 109.5° |
| C17 | C18 | H27 | 107.7° | 109.5° |
| C9 | C8 | C7 | 118.9° | 119.2° |
| C9 | C8 | H6 | 120.5° | 120.4° |
| C8 | C9 | H20 | 118.3° | 119.5° |
| C11 | C7 | C8 | 118.4° | 118.2° |
| C11 | C7 | C6 | 119.8° | 120.9° |
| C7 | C11 | H21 | 120.8° | 120.5° |
| C24 | C17 | N5 | 114.0° | 109.5° |
| C17 | C24 | O4 | 117.1° | 120.0° |
| C17 | C24 | O5 | 117.6° | 120.0° |
| C24 | C17 | H9 | 107.9° | 109.5° |
| C17 | N5 | C16 | 123.1° | 120.0° |
| N5 | C17 | H9 | 108.9° | 109.5° |
| C17 | N5 | H25 | 118.4° | 120.0° |
| O4 | C24 | O5 | 125.2° | 120.0° |
| C24 | O5 | H29 | 109.5° | 117.0° |
| C8 | C7 | C6 | 121.7° | 120.9° |
| C7 | C8 | H6 | 120.6° | 120.4° |
| C7 | C6 | O1 | 120.7° | 120.0° |
| C7 | C6 | N1 | 117.6° | 120.0° |
| N5 | C16 | O3 | 121.9° | 120.0° |
| N5 | C16 | C15 | 117.1° | 120.0° |
| C16 | N5 | H25 | 118.4° | 120.0° |
| O1 | C6 | N1 | 121.6° | 120.0° |
| C6 | N1 | C5 | 121.6° | 120.0° |
| C6 | N1 | H1 | 119.2° | 120.0° |
| O3 | C16 | C15 | 120.7° | 120.0° |
| C16 | C15 | C14 | 113.9° | 109.5° |
| C16 | C15 | H7 | 108.4° | 109.5° |
| C16 | C15 | H8 | 108.4° | 109.5° |
| N1 | C5 | C4 | 110.4° | 109.5° |
| N1 | C5 | C13 | 108.9° | 109.5° |
| C5 | N1 | H1 | 119.2° | 120.0° |
| N1 | C5 | H5 | 110.0° | 109.5° |
| C15 | C14 | N4 | 110.6° | 109.4° |
| C15 | C14 | C25 | 111.6° | 109.5° |
| C14 | C15 | H7 | 108.4° | 109.5° |
| C14 | C15 | H8 | 108.3° | 109.4° |
| C15 | C14 | H24 | 107.4° | 109.5° |
| C4 | C5 | C13 | 109.8° | 109.4° |
| C5 | C4 | C3 | 114.3° | 109.5° |
| C5 | C4 | H3 | 108.2° | 109.5° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| C5 | C13 | N4 | 119.2° | 120.0° |
| C5 | C13 | O2 | 117.8° | 120.0° |
| C13 | C5 | H5 | 108.9° | 109.5° |
| C4 | C3 | C2 | 110.7° | 109.5° |
| C3 | C4 | H3 | 108.3° | 109.4° |
| C3 | C4 | H4 | 108.2° | 109.5° |
| C4 | C3 | H18 | 109.1° | 109.5° |
| C4 | C3 | H19 | 109.2° | 109.5° |
| C3 | C2 | C1 | 111.5° | 109.5° |
| C3 | C2 | H16 | 109.0° | 109.5° |
| C3 | C2 | H17 | 109.0° | 109.5° |
| C2 | C3 | H18 | 109.2° | 109.5° |
| C2 | C3 | H19 | 109.2° | 109.5° |
| N4 | C14 | C25 | 111.2° | 109.5° |
| C14 | N4 | C13 | 125.0° | 120.0° |
| C14 | N4 | H23 | 117.5° | 120.0° |
| N4 | C14 | H24 | 108.4° | 109.4° |
| C14 | C25 | C26 | 114.7° | 109.5° |
| C25 | C14 | H24 | 107.3° | 109.5° |
| C14 | C25 | H30 | 108.1° | 109.5° |
| C14 | C25 | H31 | 108.2° | 109.5° |
| N4 | C13 | O2 | 122.9° | 120.0° |
| C13 | N4 | H23 | 117.5° | 120.0° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.4° | 109.5° |
| C1 | C2 | H16 | 109.0° | 109.5° |
| C1 | C2 | H17 | 109.0° | 109.5° |
| C25 | C26 | C33 | 127.8° | 126.5° |
| C25 | C26 | C27 | 126.8° | 126.5° |
| C26 | C25 | H30 | 108.1° | 109.5° |
| C26 | C25 | H31 | 108.1° | 109.4° |
| C31 | C32 | C33 | 119.2° | 119.8° |
| C32 | C31 | C30 | 121.2° | 120.5° |
| C32 | C31 | H36 | 119.4° | 119.7° |
| C31 | C32 | H37 | 120.4° | 120.1° |
| C32 | C33 | C26 | 134.3° | 134.0° |
| C32 | C33 | C28 | 118.4° | 119.9° |
| C33 | C32 | H37 | 120.4° | 120.1° |
| C33 | C26 | C27 | 105.4° | 107.0° |
| C26 | C33 | C28 | 107.3° | 106.1° |
| C26 | C27 | N7 | 111.0° | 109.9° |
| C26 | C27 | H32 | 124.5° | 125.0° |
| C31 | C30 | C29 | 121.4° | 120.6° |
| C31 | C30 | H35 | 119.3° | 119.7° |
| C30 | C31 | H36 | 119.4° | 119.7° |
| C33 | C28 | N7 | 107.6° | 107.2° |
| C33 | C28 | C29 | 122.4° | 119.4° |
| C27 | N7 | C28 | 108.7° | 109.9° |
| N7 | C27 | H32 | 124.5° | 125.1° |
| C27 | N7 | H33 | 125.6° | 125.1° |
| C30 | C29 | C28 | 117.3° | 119.8° |
| C30 | C29 | H34 | 121.3° | 120.1° |
| C29 | C30 | H35 | 119.3° | 119.7° |
| N7 | C28 | C29 | 130.1° | 133.5° |
| C28 | N7 | H33 | 125.6° | 125.1° |
| C28 | C29 | H34 | 121.3° | 120.2° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.4° | 109.4° |
| H13 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.4° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C12 | C10 | N2 | 17.9° | 70.0° |
| N3 | C12 | C10 | C11 | 158.4° | 110.5° |
| N6 | C21 | C20 | H11 | 180.0° | 180.0° |
| N6 | C21 | C20 | C19 | 1.4° | 0.0° |
| C21 | N6 | C22 | C23 | 0.3° | 0.3° |
| N6 | C21 | C20 | H10 | 178.7° | 179.8° |
| C21 | N6 | C22 | H12 | 179.7° | 179.8° |
| C20 | C21 | N6 | C22 | 0.5° | 0.0° |
| C21 | C20 | C19 | H10 | 180.0° | 179.8° |
| C21 | C20 | C19 | C23 | 1.3° | 0.2° |
| C21 | C20 | C19 | C18 | 178.5° | 179.8° |
| N6 | C22 | C23 | H12 | 180.0° | 179.5° |
| N6 | C22 | C23 | C19 | 0.3° | 0.6° |
| C22 | N6 | C21 | H11 | 179.5° | 180.0° |
| N6 | C22 | C23 | H28 | 179.8° | 180.0° |
| C12 | C10 | N2 | C11 | 176.2° | 179.4° |
| C12 | C10 | N2 | C9 | 177.7° | 179.7° |
| C12 | C10 | C11 | C7 | 177.4° | 180.0° |
| C12 | C10 | C11 | H21 | 2.6° | 0.5° |
| C20 | C19 | C23 | C22 | 0.6° | 0.5° |
| C20 | C19 | C23 | C18 | 177.2° | 179.9° |
| C20 | C19 | C18 | C17 | 77.7° | 90.0° |
| C19 | C20 | C21 | H11 | 178.6° | 180.0° |
| C20 | C19 | C18 | H26 | 43.3° | 30.0° |
| C20 | C19 | C18 | H27 | 161.3° | 150.0° |
| C20 | C19 | C23 | H28 | 179.4° | 180.0° |
| C22 | C23 | C19 | H28 | 180.0° | 179.5° |
| C22 | C23 | C19 | C18 | 177.7° | 179.5° |
| C23 | C19 | C18 | C17 | 105.3° | 89.9° |
| C23 | C19 | C20 | H10 | 178.7° | 180.0° |
| C19 | C23 | C22 | H12 | 179.7° | 180.0° |
| C23 | C19 | C18 | H26 | 133.8° | 150.0° |
| C23 | C19 | C18 | H27 | 15.7° | 30.1° |
| C19 | C18 | C17 | H26 | 121.0° | 120.1° |
| C19 | C18 | C17 | H27 | 121.0° | 120.0° |
| C19 | C18 | C17 | C24 | 171.2° | 175.0° |
| C19 | C18 | C17 | N5 | 63.9° | 65.0° |
| C19 | C18 | C17 | H9 | 55.6° | 55.0° |
| C18 | C19 | C20 | H10 | 1.5° | 0.0° |
| C19 | C18 | H26 | H27 | 116.8° | 120.0° |
| C18 | C19 | C23 | H28 | 2.2° | 0.0° |
| C10 | N2 | C9 | C8 | 0.2° | 0.0° |
| N2 | C10 | C11 | C7 | 1.4° | 0.5° |
| C10 | N2 | C9 | H20 | 179.8° | 180.0° |
| N2 | C10 | C11 | H21 | 178.6° | 179.9° |
| C9 | N2 | C10 | C11 | 1.5° | 0.3° |
| N2 | C9 | C8 | H20 | 180.0° | 180.0° |
| N2 | C9 | C8 | C7 | 1.1° | 0.0° |
| N2 | C9 | C8 | H6 | 178.9° | 179.9° |
| C10 | C11 | C7 | H21 | 180.0° | 179.5° |
| C10 | C11 | C7 | C8 | 0.0° | 0.5° |
| C10 | C11 | C7 | C6 | 175.4° | 179.8° |
| C18 | C17 | C24 | N5 | 123.3° | 120.0° |
| C18 | C17 | C24 | H9 | 115.6° | 120.0° |
| C18 | C17 | N5 | H9 | 118.8° | 120.0° |
| C18 | C17 | C24 | O4 | 43.0° | 120.0° |
| C18 | C17 | C24 | O5 | 133.7° | 60.0° |
| C18 | C17 | N5 | C16 | 169.2° | 155.0° |
| C18 | C17 | N5 | H25 | 10.8° | 25.0° |
| C17 | C18 | H26 | H27 | 116.9° | 120.0° |
| C9 | C8 | C7 | C11 | 1.2° | 0.3° |
| C9 | C8 | C7 | H6 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 176.4° | 180.0° |
| C11 | C7 | C8 | C6 | 175.3° | 179.7° |
| C11 | C7 | C6 | O1 | 15.3° | 0.3° |
| C11 | C7 | C6 | N1 | 169.0° | 179.7° |
| C11 | C7 | C8 | H6 | 178.9° | 179.8° |
| C24 | C17 | N5 | H9 | 120.5° | 120.0° |
| C17 | C24 | O4 | O5 | 176.5° | 180.0° |
| C24 | C17 | N5 | C16 | 48.5° | 85.0° |
| C24 | C17 | N5 | H25 | 131.5° | 95.0° |
| C24 | C17 | C18 | H26 | 50.2° | 65.0° |
| C24 | C17 | C18 | H27 | 67.9° | 55.0° |
| C17 | C24 | O5 | H29 | 176.4° | 180.0° |
| N5 | C17 | C24 | O4 | 80.3° | 0.0° |
| N5 | C17 | C24 | O5 | 103.0° | 180.0° |
| C17 | N5 | C16 | H25 | 180.0° | 179.9° |
| C17 | N5 | C16 | O3 | 71.1° | 0.1° |
| C17 | N5 | C16 | C15 | 114.2° | 180.0° |
| N5 | C17 | C18 | H26 | 175.1° | 55.0° |
| N5 | C17 | C18 | H27 | 57.1° | 175.0° |
| O4 | C24 | C17 | H9 | 158.6° | 120.0° |
| O4 | C24 | O5 | H29 | 0.0° | 0.0° |
| O5 | C24 | C17 | H9 | 18.1° | 60.0° |
| C8 | C7 | C6 | O1 | 159.9° | 180.0° |
| C8 | C7 | C6 | N1 | 15.8° | 0.0° |
| C7 | C8 | C9 | H20 | 178.9° | 180.0° |
| C8 | C7 | C11 | H21 | 180.0° | 180.0° |
| C7 | C6 | O1 | N1 | 175.6° | 180.0° |
| C7 | C6 | N1 | C5 | 150.0° | 180.0° |
| C7 | C6 | N1 | H1 | 29.9° | 0.3° |
| C6 | C7 | C8 | H6 | 3.6° | 0.1° |
| C6 | C7 | C11 | H21 | 4.6° | 0.3° |
| N5 | C16 | O3 | C15 | 174.5° | 179.9° |
| N5 | C16 | C15 | C14 | 114.7° | 180.0° |
| N5 | C16 | C15 | H7 | 5.9° | 60.0° |
| N5 | C16 | C15 | H8 | 124.6° | 60.1° |
| C16 | N5 | C17 | H9 | 72.0° | 35.0° |
| O1 | C6 | N1 | C5 | 34.3° | 0.0° |
| O1 | C6 | N1 | H1 | 145.8° | 179.7° |
| C6 | N1 | C5 | H1 | 180.0° | 179.7° |
| C6 | N1 | C5 | C4 | 74.2° | 84.7° |
| C6 | N1 | C5 | C13 | 165.2° | 155.3° |
| C6 | N1 | C5 | H5 | 45.9° | 35.3° |
| O3 | C16 | C15 | C14 | 60.1° | 0.0° |
| O3 | C16 | C15 | H7 | 179.3° | 120.0° |
| O3 | C16 | C15 | H8 | 60.6° | 120.0° |
| O3 | C16 | N5 | H25 | 108.9° | 180.0° |
| C16 | C15 | C14 | H7 | 120.7° | 120.0° |
| C16 | C15 | C14 | H8 | 120.7° | 120.0° |
| C16 | C15 | C14 | N4 | 7.1° | 65.0° |
| C16 | C15 | C14 | C25 | 131.4° | 175.0° |
| C16 | C15 | H7 | H8 | 118.0° | 120.0° |
| C16 | C15 | C14 | H24 | 111.1° | 55.0° |
| C15 | C16 | N5 | H25 | 65.8° | 0.1° |
| N1 | C5 | C4 | C13 | 120.1° | 120.0° |
| N1 | C5 | C4 | H5 | 120.8° | 120.0° |
| N1 | C5 | C13 | H5 | 119.9° | 120.0° |
| N1 | C5 | C4 | C3 | 90.2° | 65.0° |
| N1 | C5 | C13 | N4 | 45.8° | 180.0° |
| N1 | C5 | C13 | O2 | 135.3° | 0.0° |
| N1 | C5 | C4 | H3 | 149.0° | 175.1° |
| N1 | C5 | C4 | H4 | 30.5° | 55.0° |
| C15 | C14 | N4 | C25 | 124.6° | 120.0° |
| C15 | C14 | N4 | H24 | 117.6° | 120.0° |
| C15 | C14 | C25 | H24 | 117.5° | 120.1° |
| C15 | C14 | N4 | C13 | 144.7° | 155.0° |
| C15 | C14 | C25 | C26 | 165.0° | 175.0° |
| C14 | C15 | H7 | H8 | 118.0° | 120.0° |
| C15 | C14 | N4 | H23 | 35.3° | 25.1° |
| C15 | C14 | C25 | H30 | 74.3° | 65.0° |
| C15 | C14 | C25 | H31 | 44.2° | 55.1° |
| C4 | C5 | C13 | H5 | 119.1° | 120.0° |
| C5 | C4 | C3 | H3 | 120.7° | 120.0° |
| C5 | C4 | C3 | H4 | 120.7° | 120.0° |
| C5 | C4 | C3 | C2 | 119.3° | 180.0° |
| C4 | C5 | C13 | N4 | 166.8° | 60.0° |
| C4 | C5 | C13 | O2 | 14.4° | 120.0° |
| C4 | C5 | N1 | H1 | 105.7° | 94.9° |
| C5 | C4 | H3 | H4 | 117.8° | 120.1° |
| C5 | C4 | C3 | H18 | 120.5° | 60.0° |
| C5 | C4 | C3 | H19 | 0.9° | 60.0° |
| C13 | C5 | C4 | C3 | 149.7° | 175.0° |
| C5 | C13 | N4 | C14 | 65.6° | 179.9° |
| C5 | C13 | N4 | O2 | 178.8° | 180.0° |
| C13 | C5 | N1 | H1 | 14.8° | 25.0° |
| C13 | C5 | C4 | H3 | 29.0° | 55.1° |
| C13 | C5 | C4 | H4 | 89.6° | 65.0° |
| C5 | C13 | N4 | H23 | 114.4° | 0.1° |
| C4 | C3 | C2 | H18 | 120.2° | 120.0° |
| C4 | C3 | C2 | H19 | 120.2° | 120.0° |
| C4 | C3 | C2 | C1 | 173.8° | 180.0° |
| C3 | C4 | H3 | H4 | 117.8° | 120.0° |
| C3 | C4 | C5 | H5 | 30.5° | 55.0° |
| C4 | C3 | C2 | H16 | 65.9° | 60.0° |
| C4 | C3 | C2 | H17 | 53.5° | 60.0° |
| C4 | C3 | H18 | H19 | 119.4° | 120.0° |
| C3 | C2 | C1 | H16 | 120.3° | 120.0° |
| C3 | C2 | C1 | H17 | 120.3° | 120.0° |
| C2 | C3 | C4 | H3 | 1.4° | 60.0° |
| C2 | C3 | C4 | H4 | 120.0° | 60.0° |
| C3 | C2 | C1 | H13 | 180.0° | 60.0° |
| C3 | C2 | C1 | H14 | 60.0° | 59.9° |
| C3 | C2 | C1 | H15 | 60.0° | 180.0° |
| C3 | C2 | H16 | H17 | 119.1° | 120.0° |
| C2 | C3 | H18 | H19 | 119.4° | 120.0° |
| N4 | C14 | C25 | H24 | 118.5° | 120.0° |
| C14 | N4 | C13 | H23 | 180.0° | 179.9° |
| C14 | N4 | C13 | O2 | 113.2° | 0.1° |
| N4 | C14 | C25 | C26 | 40.9° | 65.0° |
| N4 | C14 | C15 | H7 | 127.7° | 55.0° |
| N4 | C14 | C15 | H8 | 113.6° | 175.0° |
| N4 | C14 | C25 | H30 | 161.7° | 55.0° |
| N4 | C14 | C25 | H31 | 79.9° | 175.0° |
| C25 | C14 | N4 | C13 | 90.7° | 85.0° |
| C14 | C25 | C26 | H30 | 120.8° | 120.1° |
| C14 | C25 | C26 | H31 | 120.8° | 120.0° |
| C14 | C25 | C26 | C33 | 62.1° | 85.0° |
| C14 | C25 | C26 | C27 | 114.8° | 94.7° |
| C25 | C14 | C15 | H7 | 107.9° | 65.0° |
| C25 | C14 | C15 | H8 | 10.8° | 55.0° |
| C25 | C14 | N4 | H23 | 89.3° | 94.9° |
| C14 | C25 | H30 | H31 | 117.6° | 120.1° |
| N4 | C13 | C5 | H5 | 74.1° | 60.0° |
| C13 | N4 | C14 | H24 | 27.1° | 35.0° |
| C2 | C1 | H13 | H14 | 120.0° | 119.9° |
| C2 | C1 | H13 | H15 | 120.0° | 120.1° |
| C2 | C1 | H14 | H15 | 120.0° | 120.1° |
| C1 | C2 | H16 | H17 | 119.1° | 120.0° |
| C1 | C2 | C3 | H18 | 53.6° | 60.0° |
| C1 | C2 | C3 | H19 | 66.0° | 60.0° |
| O2 | C13 | C5 | H5 | 104.8° | 120.0° |
| O2 | C13 | N4 | H23 | 66.8° | 179.9° |
| C25 | C26 | C33 | C32 | 1.8° | 0.2° |
| C25 | C26 | C33 | C27 | 177.4° | 179.8° |
| C25 | C26 | C33 | C28 | 178.3° | 179.7° |
| C25 | C26 | C27 | N7 | 178.1° | 179.8° |
| C26 | C25 | C14 | H24 | 77.6° | 54.9° |
| C26 | C25 | H30 | H31 | 117.6° | 119.9° |
| C25 | C26 | C27 | H32 | 1.9° | 0.2° |
| C31 | C32 | C33 | H37 | 180.0° | 179.9° |
| C31 | C32 | C33 | C26 | 178.5° | 179.9° |
| C32 | C31 | C30 | H36 | 180.0° | 179.9° |
| C31 | C32 | C33 | C28 | 1.4° | 0.1° |
| C32 | C31 | C30 | C29 | 0.9° | 0.1° |
| C32 | C31 | C30 | H35 | 179.1° | 179.9° |
| C32 | C33 | C26 | C28 | 179.8° | 180.0° |
| C32 | C33 | C26 | C27 | 179.2° | 180.0° |
| C33 | C32 | C31 | C30 | 1.4° | 0.1° |
| C32 | C33 | C28 | N7 | 179.3° | 179.9° |
| C32 | C33 | C28 | C29 | 0.9° | 0.0° |
| C33 | C32 | C31 | H36 | 178.6° | 180.0° |
| C33 | C26 | C27 | N7 | 0.7° | 0.0° |
| C26 | C33 | C28 | N7 | 0.9° | 0.1° |
| C26 | C33 | C28 | C29 | 179.0° | 180.0° |
| C33 | C26 | C25 | H30 | 58.7° | 154.9° |
| C33 | C26 | C25 | H31 | 177.1° | 35.0° |
| C33 | C26 | C27 | H32 | 179.3° | 180.0° |
| C26 | C33 | C32 | H37 | 1.6° | 0.1° |
| C27 | C26 | C33 | C28 | 1.0° | 0.0° |
| C26 | C27 | N7 | H32 | 180.0° | 180.0° |
| C26 | C27 | N7 | C28 | 0.2° | 0.0° |
| C27 | C26 | C25 | H30 | 124.5° | 25.3° |
| C27 | C26 | C25 | H31 | 6.0° | 145.3° |
| C26 | C27 | N7 | H33 | 179.8° | 180.0° |
| C31 | C30 | C29 | H35 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.4° | 0.0° |
| C31 | C30 | C29 | H34 | 179.6° | 180.0° |
| C30 | C31 | C32 | H37 | 178.6° | 180.0° |
| C33 | C28 | N7 | C27 | 0.4° | 0.1° |
| C33 | C28 | C29 | C30 | 0.4° | 0.0° |
| C33 | C28 | N7 | C29 | 179.8° | 179.9° |
| C33 | C28 | N7 | H33 | 179.6° | 180.0° |
| C33 | C28 | C29 | H34 | 179.6° | 179.9° |
| C28 | C33 | C32 | H37 | 178.6° | 179.9° |
| C27 | N7 | C28 | H33 | 180.0° | 179.9° |
| C27 | N7 | C28 | C29 | 179.4° | 180.0° |
| C30 | C29 | C28 | N7 | 179.8° | 180.0° |
| C30 | C29 | C28 | H34 | 180.0° | 180.0° |
| C29 | C30 | C31 | H36 | 179.1° | 180.0° |
| C28 | N7 | C27 | H32 | 179.8° | 180.0° |
| N7 | C28 | C29 | H34 | 0.2° | 0.0° |
| C29 | C28 | N7 | H33 | 0.6° | 0.1° |
| C28 | C29 | C30 | H35 | 179.6° | 180.0° |
| H1 | N1 | C5 | H5 | 134.1° | 145.0° |
| H3 | C4 | C5 | H5 | 90.2° | 64.9° |
| H3 | C4 | C3 | H18 | 118.8° | 180.0° |
| H3 | C4 | C3 | H19 | 121.6° | 60.0° |
| H4 | C4 | C5 | H5 | 151.2° | 175.0° |
| H4 | C4 | C3 | H18 | 0.2° | 60.0° |
| H4 | C4 | C3 | H19 | 119.9° | 180.0° |
| H6 | C8 | C9 | H20 | 1.1° | 0.1° |
| H7 | C15 | C14 | H24 | 9.5° | 175.0° |
| H8 | C15 | C14 | H24 | 128.2° | 65.0° |
| H9 | C17 | N5 | H25 | 108.0° | 145.0° |
| H9 | C17 | C18 | H26 | 65.4° | 175.0° |
| H9 | C17 | C18 | H27 | 176.6° | 65.0° |
| H10 | C20 | C21 | H11 | 1.4° | 0.2° |
| H12 | C22 | C23 | H28 | 0.3° | 0.5° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
| H13 | C1 | C2 | H16 | 59.7° | 60.1° |
| H13 | C1 | C2 | H17 | 59.7° | 180.0° |
| H14 | C1 | C2 | H16 | 179.7° | 179.9° |
| H14 | C1 | C2 | H17 | 60.3° | 60.1° |
| H15 | C1 | C2 | H16 | 60.3° | 60.0° |
| H15 | C1 | C2 | H17 | 179.7° | 60.0° |
| H16 | C2 | C3 | H18 | 173.9° | 60.0° |
| H16 | C2 | C3 | H19 | 54.2° | 180.0° |
| H17 | C2 | C3 | H18 | 66.7° | 180.0° |
| H17 | C2 | C3 | H19 | 173.6° | 60.0° |
| H23 | N4 | C14 | H24 | 152.9° | 145.1° |
| H24 | C14 | C25 | H30 | 43.2° | 175.0° |
| H24 | C14 | C25 | H31 | 161.7° | 65.0° |
| H32 | C27 | N7 | H33 | 0.2° | 0.0° |
| H34 | C29 | C30 | H35 | 0.4° | 0.0° |
| H35 | C30 | C31 | H36 | 0.9° | 0.0° |
| H36 | C31 | C32 | H37 | 1.4° | 0.1° |
