4C9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C15 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| C2 | C16 | sing | 1.53Å | 1.67Å | |
| C2 | C17 | sing | 1.53Å | 1.62Å | |
| C4 | C15 | sing | 1.47Å | 1.43Å | |
| C4 | N5 | trip | 1.14Å | 1.19Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.41Å | |
| C7 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C9 | doub | 1.33Å | 1.39Å | Aromatic |
| N1 | C30 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C9 | sing | 1.38Å | 1.36Å | |
| C9 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C21 | sing | 1.46Å | 1.50Å | Aromatic |
| C11 | N3 | sing | 1.36Å | 1.43Å | Aromatic |
| C11 | N7 | sing | 1.33Å | 1.38Å | Aromatic |
| N3 | C12 | sing | 1.46Å | 1.48Å | |
| N3 | N6 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C20 | sing | 1.53Å | 1.55Å | |
| C13 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C14 | sing | 1.35Å | 1.37Å | |
| N4 | C18 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | O1 | doub | 1.21Å | 1.26Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| N6 | C21 | doub | 1.31Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.53Å | |
| C22 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | O2 | sing | 1.36Å | 1.40Å | |
| C23 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| N7 | C30 | doub | 1.32Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.85Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C15 | C4 | 124.7° | 109.5° |
| C1 | C15 | C14 | 98.1° | 109.5° |
| C15 | C1 | C2 | 128.7° | 109.5° |
| C15 | C1 | H1 | 104.5° | 109.5° |
| C1 | C15 | H34 | 104.5° | 109.5° |
| C15 | C1 | H35 | 104.5° | 109.4° |
| C3 | C2 | C16 | 110.5° | 109.5° |
| C3 | C2 | C17 | 109.9° | 109.5° |
| C3 | C2 | C1 | 110.0° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.4° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C16 | C2 | C17 | 109.0° | 109.5° |
| C16 | C2 | C1 | 107.9° | 109.4° |
| C2 | C16 | H15 | 109.5° | 109.5° |
| C2 | C16 | H16 | 109.5° | 109.4° |
| C2 | C16 | H17 | 109.4° | 109.5° |
| C17 | C2 | C1 | 109.5° | 109.5° |
| C2 | C17 | H18 | 109.5° | 109.5° |
| C2 | C17 | H19 | 109.5° | 109.5° |
| C2 | C17 | H20 | 109.5° | 109.5° |
| C15 | C4 | N5 | 178.5° | 179.9° |
| C4 | C15 | C14 | 117.4° | 109.5° |
| C4 | C15 | H34 | 105.6° | 109.5° |
| C6 | C5 | C22 | 124.8° | 119.9° |
| C5 | C6 | C23 | 123.3° | 120.1° |
| C6 | C5 | H6 | 117.6° | 120.0° |
| C5 | C6 | H7 | 118.3° | 120.0° |
| C5 | C22 | C21 | 128.7° | 120.1° |
| C5 | C22 | C29 | 110.9° | 119.9° |
| C22 | C5 | H6 | 117.6° | 120.1° |
| C6 | C23 | O2 | 119.1° | 119.9° |
| C6 | C23 | C28 | 114.4° | 120.2° |
| C23 | C6 | H7 | 118.4° | 120.0° |
| C8 | C7 | O2 | 118.6° | 120.0° |
| C8 | C7 | C24 | 117.5° | 119.9° |
| C7 | C8 | C27 | 121.8° | 119.9° |
| C7 | C8 | H8 | 119.1° | 120.1° |
| O2 | C7 | C24 | 123.9° | 120.1° |
| C7 | O2 | C23 | 120.8° | 118.0° |
| C7 | C24 | C25 | 119.5° | 119.9° |
| C7 | C24 | H27 | 120.2° | 120.0° |
| C8 | C27 | C26 | 120.7° | 120.1° |
| C27 | C8 | H8 | 119.1° | 120.0° |
| C8 | C27 | H30 | 119.7° | 120.0° |
| C9 | N1 | C30 | 118.3° | 121.1° |
| N1 | C9 | N2 | 114.4° | 120.8° |
| N1 | C9 | C10 | 121.9° | 118.3° |
| N1 | C30 | N7 | 126.3° | 122.7° |
| N1 | C30 | H33 | 116.9° | 118.7° |
| N2 | C9 | C10 | 123.7° | 120.8° |
| C9 | N2 | H9 | 109.5° | 120.1° |
| C9 | N2 | H10 | 109.5° | 120.0° |
| C9 | C10 | C11 | 112.9° | 118.5° |
| C9 | C10 | C21 | 140.0° | 135.0° |
| C11 | C10 | C21 | 107.1° | 106.5° |
| C10 | C11 | N3 | 106.5° | 106.9° |
| C10 | C11 | N7 | 126.7° | 118.7° |
| C10 | C21 | N6 | 106.4° | 107.4° |
| C10 | C21 | C22 | 131.7° | 126.3° |
| N3 | C11 | N7 | 126.7° | 134.4° |
| C11 | N3 | C12 | 126.8° | 125.3° |
| C11 | N3 | N6 | 109.3° | 109.4° |
| C11 | N7 | C30 | 113.9° | 120.6° |
| C12 | N3 | N6 | 123.4° | 125.2° |
| N3 | C12 | C13 | 111.1° | 109.5° |
| N3 | C12 | C20 | 110.1° | 109.5° |
| N3 | C12 | H11 | 110.3° | 109.5° |
| N3 | N6 | C21 | 110.7° | 109.9° |
| C13 | C12 | C20 | 106.4° | 109.3° |
| C12 | C13 | N4 | 114.1° | 108.8° |
| C13 | C12 | H11 | 109.4° | 109.5° |
| C12 | C13 | H12 | 108.3° | 109.6° |
| C12 | C13 | H13 | 108.3° | 109.6° |
| C12 | C20 | C19 | 108.8° | 109.5° |
| C20 | C12 | H11 | 109.4° | 109.5° |
| C12 | C20 | H25 | 109.6° | 109.5° |
| C12 | C20 | H26 | 109.6° | 109.5° |
| C13 | N4 | C14 | 124.5° | 120.6° |
| C13 | N4 | C18 | 111.9° | 118.8° |
| N4 | C13 | H12 | 108.3° | 109.6° |
| N4 | C13 | H13 | 108.3° | 109.6° |
| C14 | N4 | C18 | 123.6° | 120.6° |
| N4 | C14 | C15 | 131.4° | 120.0° |
| N4 | C14 | O1 | 117.1° | 120.0° |
| N4 | C18 | C19 | 112.0° | 108.8° |
| N4 | C18 | H21 | 108.8° | 109.6° |
| N4 | C18 | H22 | 108.8° | 109.6° |
| C15 | C14 | O1 | 111.5° | 120.0° |
| C14 | C15 | H34 | 104.4° | 109.4° |
| C18 | C19 | C20 | 107.8° | 109.3° |
| C19 | C18 | H21 | 108.8° | 109.6° |
| C19 | C18 | H22 | 108.9° | 109.6° |
| C18 | C19 | H23 | 109.9° | 109.5° |
| C18 | C19 | H24 | 109.9° | 109.5° |
| C20 | C19 | H23 | 109.9° | 109.5° |
| C20 | C19 | H24 | 109.9° | 109.5° |
| C19 | C20 | H25 | 109.6° | 109.5° |
| C19 | C20 | H26 | 109.6° | 109.4° |
| N6 | C21 | C22 | 122.0° | 126.4° |
| C21 | C22 | C29 | 120.3° | 120.0° |
| C22 | C29 | C28 | 125.2° | 119.9° |
| C22 | C29 | H32 | 117.4° | 120.0° |
| O2 | C23 | C28 | 126.6° | 119.9° |
| C23 | C28 | C29 | 121.4° | 120.0° |
| C23 | C28 | H31 | 119.3° | 119.9° |
| C24 | C25 | C26 | 122.9° | 120.0° |
| C25 | C24 | H27 | 120.3° | 120.0° |
| C24 | C25 | H28 | 118.5° | 119.9° |
| C25 | C26 | C27 | 117.6° | 120.1° |
| C26 | C25 | H28 | 118.6° | 120.0° |
| C25 | C26 | H29 | 121.2° | 119.9° |
| C27 | C26 | H29 | 121.2° | 120.0° |
| C26 | C27 | H30 | 119.7° | 119.9° |
| C29 | C28 | H31 | 119.3° | 120.0° |
| C28 | C29 | H32 | 117.4° | 120.0° |
| N7 | C30 | H33 | 116.9° | 118.6° |
| C2 | C1 | H1 | 104.5° | 109.5° |
| C2 | C1 | H35 | 104.5° | 109.5° |
| H1 | C1 | H35 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H9 | N2 | H10 | 109.5° | 119.9° |
| H12 | C13 | H13 | 109.4° | 109.7° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.4° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.4° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.7° |
| H23 | C19 | H24 | 109.4° | 109.6° |
| H25 | C20 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C1 | C2 | C3 | 52.5° | 65.2° |
| C15 | C1 | C2 | C16 | 68.1° | 174.8° |
| C15 | C1 | C2 | C17 | 173.4° | 54.8° |
| C1 | C15 | C4 | C14 | 123.6° | 120.0° |
| C1 | C15 | C4 | H34 | 120.6° | 120.0° |
| C1 | C15 | C4 | N5 | 19.2° | 176.0° |
| C1 | C15 | C14 | N4 | 70.2° | 180.0° |
| C1 | C15 | C14 | H34 | 107.3° | 120.0° |
| C1 | C15 | C14 | O1 | 106.6° | 0.0° |
| C15 | C1 | C2 | H1 | 122.5° | 120.0° |
| C15 | C1 | C2 | H35 | 122.5° | 120.0° |
| C15 | C1 | H1 | H35 | 111.4° | 120.0° |
| C3 | C2 | C16 | C17 | 120.9° | 120.0° |
| C3 | C2 | C16 | C1 | 120.3° | 120.0° |
| C3 | C2 | C17 | C1 | 120.9° | 120.0° |
| C3 | C2 | C1 | H1 | 70.0° | 174.7° |
| C2 | C3 | H3 | H4 | 120.0° | 120.0° |
| C2 | C3 | H3 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C2 | C16 | H15 | 180.0° | 180.0° |
| C3 | C2 | C16 | H16 | 60.0° | 60.0° |
| C3 | C2 | C16 | H17 | 60.0° | 59.9° |
| C3 | C2 | C17 | H18 | 180.0° | 60.0° |
| C3 | C2 | C17 | H19 | 60.0° | 60.0° |
| C3 | C2 | C17 | H20 | 60.0° | 180.0° |
| C3 | C2 | C1 | H35 | 175.0° | 54.7° |
| C16 | C2 | C17 | C1 | 117.8° | 120.0° |
| C16 | C2 | C1 | H1 | 169.4° | 54.8° |
| C16 | C2 | C3 | H3 | 180.0° | 73.9° |
| C16 | C2 | C3 | H4 | 60.0° | 46.1° |
| C16 | C2 | C3 | H5 | 60.0° | 166.1° |
| C2 | C16 | H15 | H16 | 120.0° | 120.0° |
| C2 | C16 | H15 | H17 | 120.0° | 120.0° |
| C2 | C16 | H16 | H17 | 120.0° | 120.0° |
| C16 | C2 | C17 | H18 | 58.7° | 180.0° |
| C16 | C2 | C17 | H19 | 61.3° | 60.0° |
| C16 | C2 | C17 | H20 | 178.7° | 60.0° |
| C16 | C2 | C1 | H35 | 54.4° | 65.3° |
| C17 | C2 | C1 | H1 | 50.9° | 65.2° |
| C17 | C2 | C3 | H3 | 59.6° | 166.1° |
| C17 | C2 | C3 | H4 | 60.4° | 73.9° |
| C17 | C2 | C3 | H5 | 179.6° | 46.1° |
| C17 | C2 | C16 | H15 | 59.1° | 60.0° |
| C17 | C2 | C16 | H16 | 179.1° | 60.0° |
| C17 | C2 | C16 | H17 | 60.9° | 180.0° |
| C2 | C17 | H18 | H19 | 120.0° | 120.1° |
| C2 | C17 | H18 | H20 | 120.0° | 120.0° |
| C2 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C2 | C1 | H35 | 64.1° | 174.7° |
| C4 | C15 | C14 | N4 | 153.6° | 60.0° |
| C4 | C15 | C14 | H34 | 116.5° | 120.0° |
| C4 | C15 | C14 | O1 | 29.6° | 120.0° |
| C4 | C15 | C1 | C2 | 62.2° | 67.7° |
| C4 | C15 | C1 | H1 | 60.3° | 172.2° |
| C4 | C15 | C1 | H35 | 175.3° | 52.3° |
| N5 | C4 | C15 | C14 | 142.8° | 56.0° |
| N5 | C4 | C15 | H34 | 101.4° | 63.9° |
| C6 | C5 | C22 | H6 | 180.0° | 179.7° |
| C5 | C6 | C23 | H7 | 180.0° | 179.9° |
| C6 | C5 | C22 | C21 | 178.8° | 180.0° |
| C6 | C5 | C22 | C29 | 1.1° | 0.0° |
| C5 | C6 | C23 | O2 | 179.7° | 180.0° |
| C5 | C6 | C23 | C28 | 0.1° | 0.0° |
| C22 | C5 | C6 | C23 | 0.6° | 0.0° |
| C5 | C22 | C21 | C10 | 55.4° | 45.1° |
| C5 | C22 | C21 | N6 | 124.0° | 134.9° |
| C5 | C22 | C21 | C29 | 177.5° | 180.0° |
| C5 | C22 | C29 | C28 | 1.1° | 0.0° |
| C22 | C5 | C6 | H7 | 179.4° | 179.9° |
| C5 | C22 | C29 | H32 | 178.9° | 179.9° |
| C6 | C23 | O2 | C7 | 140.4° | 101.6° |
| C6 | C23 | O2 | C28 | 179.5° | 179.9° |
| C6 | C23 | C28 | C29 | 0.1° | 0.0° |
| C23 | C6 | C5 | H6 | 179.4° | 179.8° |
| C6 | C23 | C28 | H31 | 179.9° | 179.9° |
| C8 | C7 | O2 | C24 | 179.5° | 179.7° |
| C7 | C8 | C27 | H8 | 180.0° | 179.9° |
| C8 | C7 | O2 | C23 | 136.3° | 176.6° |
| C8 | C7 | C24 | C25 | 0.1° | 0.0° |
| C7 | C8 | C27 | C26 | 0.0° | 0.4° |
| C8 | C7 | C24 | H27 | 179.9° | 179.9° |
| C7 | C8 | C27 | H30 | 180.0° | 180.0° |
| O2 | C7 | C8 | C27 | 179.6° | 179.9° |
| C7 | O2 | C23 | C28 | 40.0° | 78.5° |
| O2 | C7 | C24 | C25 | 179.6° | 179.7° |
| O2 | C7 | C8 | H8 | 0.4° | 0.1° |
| O2 | C7 | C24 | H27 | 0.3° | 0.4° |
| C24 | C7 | C8 | C27 | 0.1° | 0.2° |
| C24 | C7 | O2 | C23 | 44.2° | 3.2° |
| C7 | C24 | C25 | H27 | 180.0° | 179.9° |
| C7 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C7 | C8 | H8 | 179.9° | 179.7° |
| C7 | C24 | C25 | H28 | 179.9° | 180.0° |
| C8 | C27 | C26 | C25 | 0.1° | 0.5° |
| C8 | C27 | C26 | H30 | 180.0° | 179.5° |
| C8 | C27 | C26 | H29 | 179.9° | 179.8° |
| N1 | C9 | N2 | C10 | 179.9° | 180.0° |
| N1 | C9 | C10 | C11 | 0.1° | 0.0° |
| N1 | C9 | C10 | C21 | 179.8° | 180.0° |
| C9 | N1 | C30 | N7 | 0.0° | 0.1° |
| N1 | C9 | N2 | H9 | 0.0° | 11.3° |
| N1 | C9 | N2 | H10 | 120.0° | 168.7° |
| C9 | N1 | C30 | H33 | 180.0° | 179.9° |
| C30 | N1 | C9 | N2 | 179.8° | 180.0° |
| C30 | N1 | C9 | C10 | 0.0° | 0.0° |
| N1 | C30 | N7 | C11 | 0.0° | 0.1° |
| N1 | C30 | N7 | H33 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 179.8° | 179.9° |
| N2 | C9 | C10 | C21 | 0.0° | 0.0° |
| C9 | N2 | H9 | H10 | 120.0° | 180.0° |
| C9 | C10 | C11 | C21 | 179.8° | 180.0° |
| C9 | C10 | C11 | N3 | 178.0° | 180.0° |
| C9 | C10 | C11 | N7 | 0.1° | 0.0° |
| C9 | C10 | C21 | N6 | 180.0° | 180.0° |
| C9 | C10 | C21 | C22 | 0.5° | 0.0° |
| C10 | C9 | N2 | H9 | 179.9° | 168.6° |
| C10 | C9 | N2 | H10 | 60.1° | 11.4° |
| C10 | C11 | N3 | N7 | 177.9° | 180.0° |
| C10 | C11 | N3 | C12 | 175.5° | 179.9° |
| C10 | C11 | N3 | N6 | 3.3° | 0.0° |
| C11 | C10 | C21 | N6 | 0.3° | 0.0° |
| C11 | C10 | C21 | C22 | 179.7° | 180.0° |
| C10 | C11 | N7 | C30 | 0.0° | 0.1° |
| C21 | C10 | C11 | N3 | 2.2° | 0.0° |
| C21 | C10 | C11 | N7 | 179.9° | 180.0° |
| C10 | C21 | N6 | N3 | 1.8° | 0.0° |
| C10 | C21 | N6 | C22 | 179.5° | 180.0° |
| C10 | C21 | C22 | C29 | 127.1° | 134.9° |
| C11 | N3 | C12 | N6 | 171.1° | 180.0° |
| C11 | N3 | C12 | C13 | 74.8° | 120.0° |
| C11 | N3 | C12 | C20 | 167.6° | 120.1° |
| C11 | N3 | N6 | C21 | 3.3° | 0.0° |
| N3 | C11 | N7 | C30 | 177.6° | 179.9° |
| C11 | N3 | C12 | H11 | 46.7° | 0.1° |
| N7 | C11 | N3 | C12 | 6.6° | 0.0° |
| N7 | C11 | N3 | N6 | 178.7° | 180.0° |
| C11 | N7 | C30 | H33 | 180.0° | 180.0° |
| N3 | C12 | C13 | C20 | 119.9° | 120.0° |
| N3 | C12 | C13 | H11 | 122.0° | 120.1° |
| N3 | C12 | C20 | H11 | 121.4° | 120.0° |
| N3 | C12 | C13 | N4 | 173.9° | 174.6° |
| N3 | C12 | C20 | C19 | 177.7° | 178.7° |
| C12 | N3 | N6 | C21 | 175.8° | 180.0° |
| N3 | C12 | C13 | H12 | 65.4° | 65.6° |
| N3 | C12 | C13 | H13 | 53.1° | 54.8° |
| N3 | C12 | C20 | H25 | 62.4° | 61.3° |
| N3 | C12 | C20 | H26 | 57.8° | 58.6° |
| N6 | N3 | C12 | C13 | 96.3° | 59.9° |
| N6 | N3 | C12 | C20 | 21.3° | 59.9° |
| N3 | N6 | C21 | C22 | 177.7° | 180.0° |
| N6 | N3 | C12 | H11 | 142.1° | 180.0° |
| C13 | C12 | C20 | H11 | 118.1° | 119.9° |
| C12 | C13 | N4 | H12 | 120.7° | 119.8° |
| C12 | C13 | N4 | H13 | 120.7° | 119.8° |
| C12 | C13 | N4 | C14 | 131.5° | 126.4° |
| C12 | C13 | N4 | C18 | 50.2° | 53.6° |
| C13 | C12 | C20 | C19 | 61.8° | 61.3° |
| C12 | C13 | H12 | H13 | 117.9° | 120.3° |
| C13 | C12 | C20 | H25 | 58.1° | 58.7° |
| C13 | C12 | C20 | H26 | 178.3° | 178.6° |
| C20 | C12 | C13 | N4 | 54.0° | 54.6° |
| C12 | C20 | C19 | C18 | 66.3° | 61.4° |
| C12 | C20 | C19 | H25 | 119.9° | 120.0° |
| C12 | C20 | C19 | H26 | 119.9° | 120.0° |
| C20 | C12 | C13 | H12 | 174.7° | 174.5° |
| C20 | C12 | C13 | H13 | 66.7° | 65.2° |
| C12 | C20 | C19 | H23 | 53.5° | 58.6° |
| C12 | C20 | C19 | H24 | 174.0° | 178.7° |
| C12 | C20 | H25 | H26 | 120.3° | 120.0° |
| C13 | N4 | C14 | C18 | 178.1° | 180.0° |
| C13 | N4 | C14 | C15 | 175.6° | 180.0° |
| C13 | N4 | C14 | O1 | 1.0° | 0.0° |
| C13 | N4 | C18 | C19 | 52.6° | 53.6° |
| N4 | C13 | C12 | H11 | 64.1° | 65.3° |
| N4 | C13 | H12 | H13 | 117.9° | 120.3° |
| C13 | N4 | C18 | H21 | 173.0° | 173.4° |
| C13 | N4 | C18 | H22 | 67.8° | 66.2° |
| N4 | C14 | C15 | O1 | 176.8° | 180.0° |
| C14 | N4 | C18 | C19 | 129.1° | 126.4° |
| C14 | N4 | C13 | H12 | 10.8° | 6.6° |
| C14 | N4 | C13 | H13 | 107.8° | 113.8° |
| C14 | N4 | C18 | H21 | 8.7° | 6.6° |
| C14 | N4 | C18 | H22 | 110.5° | 113.8° |
| N4 | C14 | C15 | H34 | 37.1° | 60.0° |
| C18 | N4 | C14 | C15 | 2.5° | 0.1° |
| C18 | N4 | C14 | O1 | 179.1° | 180.0° |
| N4 | C18 | C19 | H21 | 120.4° | 119.8° |
| N4 | C18 | C19 | H22 | 120.4° | 119.8° |
| N4 | C18 | C19 | C20 | 61.0° | 54.6° |
| C18 | N4 | C13 | H12 | 170.9° | 173.4° |
| C18 | N4 | C13 | H13 | 70.5° | 66.2° |
| N4 | C18 | H21 | H22 | 118.8° | 120.3° |
| N4 | C18 | C19 | H23 | 58.7° | 65.3° |
| N4 | C18 | C19 | H24 | 179.2° | 174.5° |
| C14 | C15 | C1 | C2 | 166.1° | 172.3° |
| C14 | C15 | C1 | H1 | 71.3° | 52.2° |
| C14 | C15 | C1 | H35 | 43.6° | 67.7° |
| O1 | C14 | C15 | H34 | 146.1° | 120.0° |
| C18 | C19 | C20 | H23 | 119.7° | 119.9° |
| C18 | C19 | C20 | H24 | 119.8° | 119.9° |
| C19 | C18 | H21 | H22 | 118.9° | 120.4° |
| C18 | C19 | H23 | H24 | 120.8° | 120.1° |
| C18 | C19 | C20 | H25 | 53.7° | 58.7° |
| C18 | C19 | C20 | H26 | 173.9° | 178.6° |
| C19 | C20 | C12 | H11 | 56.3° | 58.6° |
| C20 | C19 | C18 | H21 | 178.6° | 174.4° |
| C20 | C19 | C18 | H22 | 59.3° | 65.1° |
| C20 | C19 | H23 | H24 | 120.8° | 120.1° |
| C19 | C20 | H25 | H26 | 120.3° | 119.9° |
| N6 | C21 | C22 | C29 | 53.5° | 45.0° |
| C21 | C22 | C29 | C28 | 179.0° | 180.0° |
| C21 | C22 | C5 | H6 | 1.2° | 0.3° |
| C21 | C22 | C29 | H32 | 1.0° | 0.0° |
| C22 | C29 | C28 | C23 | 0.5° | 0.0° |
| C22 | C29 | C28 | H32 | 180.0° | 180.0° |
| C29 | C22 | C5 | H6 | 178.9° | 179.7° |
| C22 | C29 | C28 | H31 | 179.5° | 180.0° |
| O2 | C23 | C28 | C29 | 179.7° | 179.9° |
| O2 | C23 | C6 | H7 | 0.3° | 0.1° |
| O2 | C23 | C28 | H31 | 0.3° | 0.0° |
| C23 | C28 | C29 | H31 | 180.0° | 180.0° |
| C28 | C23 | C6 | H7 | 179.9° | 180.0° |
| C23 | C28 | C29 | H32 | 179.5° | 180.0° |
| C24 | C25 | C26 | H28 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.0° | 0.3° |
| C24 | C25 | C26 | H29 | 180.0° | 180.0° |
| C25 | C26 | C27 | H29 | 180.0° | 179.7° |
| C26 | C25 | C24 | H27 | 179.9° | 180.0° |
| C25 | C26 | C27 | H30 | 180.0° | 180.0° |
| C26 | C27 | C8 | H8 | 180.0° | 179.4° |
| C27 | C26 | C25 | H28 | 180.0° | 179.8° |
| C2 | C1 | H1 | H35 | 111.4° | 120.0° |
| C1 | C2 | C3 | H3 | 61.0° | 46.1° |
| C1 | C2 | C3 | H4 | 179.0° | 166.1° |
| C1 | C2 | C3 | H5 | 59.0° | 73.9° |
| C1 | C2 | C16 | H15 | 59.7° | 60.0° |
| C1 | C2 | C16 | H16 | 60.3° | 180.0° |
| C1 | C2 | C16 | H17 | 179.7° | 60.0° |
| C1 | C2 | C17 | H18 | 59.1° | 60.0° |
| C1 | C2 | C17 | H19 | 179.1° | 180.0° |
| C1 | C2 | C17 | H20 | 60.9° | 60.0° |
| C2 | C1 | C15 | H34 | 58.9° | 52.3° |
| H1 | C1 | C15 | H34 | 178.6° | 67.7° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 0.6° | 0.3° |
| H8 | C8 | C27 | H30 | 0.0° | 0.1° |
| H11 | C12 | C13 | H12 | 56.6° | 54.5° |
| H11 | C12 | C13 | H13 | 175.2° | 174.9° |
| H11 | C12 | C20 | H25 | 176.2° | 178.6° |
| H11 | C12 | C20 | H26 | 63.6° | 61.4° |
| H15 | C16 | H16 | H17 | 120.0° | 120.0° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | C19 | H23 | 61.7° | 54.5° |
| H21 | C18 | C19 | H24 | 58.8° | 65.7° |
| H22 | C18 | C19 | H23 | 179.1° | 174.9° |
| H22 | C18 | C19 | H24 | 60.4° | 54.8° |
| H23 | C19 | C20 | H25 | 173.4° | 178.6° |
| H23 | C19 | C20 | H26 | 66.4° | 61.5° |
| H24 | C19 | C20 | H25 | 66.1° | 61.2° |
| H24 | C19 | C20 | H26 | 54.1° | 58.7° |
| H27 | C24 | C25 | H28 | 0.1° | 0.1° |
| H28 | C25 | C26 | H29 | 0.0° | 0.0° |
| H29 | C26 | C27 | H30 | 0.0° | 0.3° |
| H31 | C28 | C29 | H32 | 0.5° | 0.0° |
| H34 | C15 | C1 | H35 | 63.6° | 172.3° |
