9DO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N32 | C33 | sing | 1.49Å | 1.49Å | |
| N32 | C31 | sing | 1.49Å | 1.45Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| C31 | C29 | sing | 1.51Å | 1.52Å | |
| C31 | C35 | sing | 1.54Å | 1.50Å | |
| O30 | C29 | doub | 1.21Å | 1.25Å | |
| C29 | N28 | sing | 1.35Å | 1.32Å | |
| C35 | C34 | sing | 1.54Å | 1.50Å | |
| C34 | F36 | sing | 1.40Å | 1.38Å | |
| N28 | C14 | sing | 1.46Å | 1.43Å | |
| C14 | C13 | sing | 1.55Å | 1.51Å | |
| C14 | C15 | sing | 1.55Å | 1.50Å | |
| C13 | N12 | sing | 1.47Å | 1.45Å | |
| C15 | C11 | sing | 1.54Å | 1.53Å | |
| N12 | C11 | sing | 1.47Å | 1.46Å | |
| N12 | C16 | sing | 1.35Å | 1.34Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| O17 | C16 | doub | 1.21Å | 1.21Å | |
| C10 | N9 | sing | 1.47Å | 1.45Å | |
| C16 | C18 | sing | 1.51Å | 1.50Å | |
| N9 | C7 | sing | 1.35Å | 1.33Å | |
| O8 | C7 | doub | 1.22Å | 1.21Å | |
| C7 | C5 | sing | 1.48Å | 1.53Å | |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.37Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C8 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.43Å | 1.33Å | |
| C1 | C21 | trip | 1.17Å | 1.21Å | |
| C21 | C22 | sing | 1.43Å | 1.33Å | |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | O27 | sing | 1.43Å | 1.44Å | |
| O27 | C12 | sing | 1.43Å | 1.44Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C9 | sing | 1.51Å | 1.50Å | |
| O40 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | C12 | sing | 1.53Å | 1.54Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| N9 | H16 | sing | 0.97Å | 1.00Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| N28 | H26 | sing | 0.97Å | 1.00Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| N32 | H28 | sing | 1.01Å | 1.00Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| O40 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | N32 | C31 | 109.8° | 104.2° |
| N32 | C33 | C34 | 104.8° | 104.6° |
| C33 | N32 | H28 | 109.4° | 111.0° |
| N32 | C33 | H30 | 110.7° | 110.4° |
| N32 | C33 | H31 | 110.6° | 110.5° |
| N32 | C31 | C29 | 111.9° | 110.4° |
| N32 | C31 | C35 | 102.6° | 104.6° |
| N32 | C31 | H27 | 111.3° | 110.5° |
| C31 | N32 | H28 | 109.4° | 111.0° |
| C33 | C34 | C35 | 104.5° | 105.0° |
| C33 | C34 | F36 | 115.0° | 110.3° |
| C34 | C33 | H30 | 110.6° | 110.4° |
| C34 | C33 | H31 | 110.6° | 110.4° |
| C33 | C34 | H32 | 110.4° | 110.3° |
| C29 | C31 | C35 | 109.9° | 110.4° |
| C31 | C29 | O30 | 121.1° | 120.0° |
| C31 | C29 | N28 | 113.4° | 120.0° |
| C29 | C31 | H27 | 110.4° | 110.4° |
| C31 | C35 | C34 | 105.7° | 105.1° |
| C35 | C31 | H27 | 110.6° | 110.4° |
| C31 | C35 | H33 | 110.4° | 110.3° |
| C31 | C35 | H34 | 110.4° | 110.3° |
| O30 | C29 | N28 | 125.4° | 120.0° |
| C29 | N28 | C14 | 123.1° | 120.0° |
| C29 | N28 | H26 | 118.5° | 120.0° |
| C35 | C34 | F36 | 102.4° | 110.3° |
| C35 | C34 | H32 | 111.0° | 110.5° |
| C34 | C35 | H33 | 110.4° | 110.3° |
| C34 | C35 | H34 | 110.4° | 110.3° |
| F36 | C34 | H32 | 112.9° | 110.3° |
| N28 | C14 | C13 | 107.5° | 111.0° |
| N28 | C14 | C15 | 111.4° | 111.0° |
| N28 | C14 | H5 | 111.2° | 110.9° |
| C14 | N28 | H26 | 118.4° | 120.0° |
| C13 | C14 | C15 | 106.2° | 101.6° |
| C14 | C13 | N12 | 104.9° | 104.8° |
| C14 | C13 | H3 | 110.6° | 110.4° |
| C14 | C13 | H4 | 110.6° | 110.4° |
| C13 | C14 | H5 | 110.1° | 111.0° |
| C14 | C15 | C11 | 105.1° | 102.9° |
| C14 | C15 | H1 | 110.5° | 110.7° |
| C14 | C15 | H2 | 110.5° | 110.9° |
| C15 | C14 | H5 | 110.3° | 111.0° |
| C13 | N12 | C11 | 112.4° | 108.7° |
| C13 | N12 | C16 | 124.2° | 125.7° |
| N12 | C13 | H3 | 110.6° | 110.3° |
| N12 | C13 | H4 | 110.6° | 110.4° |
| C15 | C11 | N12 | 102.9° | 107.3° |
| C15 | C11 | C10 | 111.2° | 109.9° |
| C11 | C15 | H1 | 110.6° | 110.7° |
| C11 | C15 | H2 | 110.6° | 110.7° |
| C15 | C11 | H11 | 110.7° | 109.8° |
| C11 | N12 | C16 | 123.2° | 125.6° |
| N12 | C11 | C10 | 109.5° | 109.9° |
| N12 | C11 | H11 | 111.7° | 110.0° |
| N12 | C16 | O17 | 118.7° | 120.0° |
| N12 | C16 | C18 | 120.3° | 120.0° |
| C11 | C10 | N9 | 107.5° | 109.5° |
| C11 | C10 | H8 | 110.0° | 109.5° |
| C11 | C10 | H9 | 110.0° | 109.4° |
| C10 | C11 | H11 | 110.6° | 109.8° |
| O17 | C16 | C18 | 121.1° | 120.0° |
| C10 | N9 | C7 | 124.7° | 120.0° |
| N9 | C10 | H8 | 110.0° | 109.5° |
| N9 | C10 | H9 | 110.0° | 109.5° |
| C10 | N9 | H16 | 117.6° | 119.9° |
| C16 | C18 | C20 | 118.1° | 117.5° |
| C16 | C18 | C19 | 116.4° | 117.5° |
| C16 | C18 | H17 | 117.1° | 115.6° |
| N9 | C7 | O8 | 116.1° | 120.0° |
| N9 | C7 | C5 | 120.6° | 120.0° |
| C7 | N9 | H16 | 117.7° | 120.0° |
| O8 | C7 | C5 | 123.2° | 120.0° |
| C7 | C5 | C6 | 122.0° | 120.0° |
| C7 | C5 | C4 | 122.3° | 120.0° |
| C5 | C6 | C8 | 121.4° | 120.1° |
| C6 | C5 | C4 | 115.7° | 120.0° |
| C5 | C6 | H15 | 119.3° | 120.0° |
| C6 | C8 | C2 | 122.8° | 120.0° |
| C6 | C8 | H14 | 118.6° | 120.0° |
| C8 | C6 | H15 | 119.3° | 119.9° |
| C5 | C4 | C3 | 122.9° | 120.0° |
| C5 | C4 | H13 | 118.6° | 120.0° |
| C20 | C18 | C19 | 59.6° | 60.0° |
| C18 | C20 | C19 | 59.6° | 60.0° |
| C20 | C18 | H17 | 116.4° | 117.5° |
| C18 | C20 | H20 | 120.0° | 117.5° |
| C18 | C20 | H21 | 120.1° | 117.5° |
| C18 | C19 | C20 | 60.9° | 60.0° |
| C19 | C18 | H17 | 116.7° | 117.5° |
| C18 | C19 | H18 | 119.8° | 117.5° |
| C18 | C19 | H19 | 119.8° | 117.5° |
| C8 | C2 | C3 | 116.0° | 120.0° |
| C8 | C2 | C1 | 122.7° | 120.0° |
| C2 | C8 | H14 | 118.6° | 120.0° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C4 | C3 | H12 | 119.4° | 120.0° |
| C3 | C4 | H13 | 118.6° | 120.0° |
| C20 | C19 | H18 | 119.8° | 117.5° |
| C20 | C19 | H19 | 119.9° | 117.5° |
| C19 | C20 | H20 | 120.1° | 117.5° |
| C19 | C20 | H21 | 120.1° | 117.5° |
| C3 | C2 | C1 | 121.2° | 120.0° |
| C2 | C3 | H12 | 119.4° | 120.1° |
| C2 | C1 | C21 | 170.4° | 179.9° |
| C1 | C21 | C22 | 173.0° | 180.0° |
| C21 | C22 | C23 | 119.7° | 120.1° |
| C21 | C22 | C27 | 123.4° | 120.2° |
| C23 | C22 | C27 | 116.9° | 119.7° |
| C22 | C23 | C24 | 121.9° | 119.8° |
| C22 | C23 | H22 | 119.0° | 120.1° |
| C22 | C27 | C26 | 121.7° | 119.9° |
| C22 | C27 | H25 | 119.1° | 120.1° |
| C23 | C24 | C25 | 121.0° | 120.2° |
| C24 | C23 | H22 | 119.0° | 120.1° |
| C23 | C24 | H23 | 119.5° | 119.9° |
| C27 | C26 | C25 | 121.2° | 120.1° |
| C27 | C26 | H24 | 119.4° | 120.0° |
| C26 | C27 | H25 | 119.1° | 120.1° |
| C24 | C25 | C26 | 117.3° | 120.3° |
| C24 | C25 | C9 | 123.3° | 119.8° |
| C25 | C24 | H23 | 119.5° | 120.0° |
| C28 | O27 | C12 | 118.4° | 114.0° |
| O27 | C28 | H35 | 109.5° | 109.4° |
| O27 | C28 | H36 | 109.5° | 109.5° |
| O27 | C28 | H37 | 109.4° | 109.4° |
| O27 | C12 | C9 | 114.8° | 109.4° |
| O27 | C12 | H6 | 108.1° | 109.5° |
| O27 | C12 | H7 | 108.2° | 109.4° |
| C26 | C25 | C9 | 119.3° | 119.8° |
| C25 | C26 | H24 | 119.4° | 119.9° |
| C25 | C9 | O40 | 109.1° | 109.5° |
| C25 | C9 | C12 | 117.9° | 109.5° |
| C25 | C9 | H10 | 107.8° | 109.5° |
| O40 | C9 | C12 | 105.4° | 109.5° |
| O40 | C9 | H10 | 108.9° | 109.4° |
| C9 | O40 | H38 | 109.5° | 113.9° |
| C9 | C12 | H6 | 108.1° | 109.5° |
| C9 | C12 | H7 | 108.1° | 109.5° |
| C12 | C9 | H10 | 107.4° | 109.5° |
| H1 | C15 | H2 | 109.5° | 110.7° |
| H3 | C13 | H4 | 109.5° | 110.3° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 115.5° |
| H20 | C20 | H21 | 109.5° | 115.6° |
| H30 | C33 | H31 | 109.5° | 110.4° |
| H33 | C35 | H34 | 109.5° | 110.3° |
| H35 | C28 | H36 | 109.4° | 109.5° |
| H35 | C28 | H37 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | N32 | C31 | H28 | 120.1° | 119.5° |
| N32 | C33 | C34 | H30 | 119.3° | 118.8° |
| N32 | C33 | C34 | H31 | 119.2° | 118.8° |
| C33 | N32 | C31 | C29 | 87.8° | 158.2° |
| C33 | N32 | C31 | C35 | 29.9° | 39.5° |
| N32 | C33 | C34 | C35 | 10.5° | 23.8° |
| N32 | C33 | C34 | F36 | 100.9° | 95.0° |
| C33 | N32 | C31 | H27 | 148.2° | 79.4° |
| N32 | C33 | H30 | H31 | 122.2° | 122.4° |
| N32 | C33 | C34 | H32 | 129.9° | 142.9° |
| C31 | N32 | C33 | C34 | 12.4° | 39.5° |
| N32 | C31 | C29 | C35 | 113.2° | 115.2° |
| N32 | C31 | C29 | H27 | 124.6° | 122.5° |
| N32 | C31 | C35 | H27 | 118.8° | 118.9° |
| N32 | C31 | C29 | O30 | 15.3° | 15.2° |
| N32 | C31 | C29 | N28 | 168.3° | 164.8° |
| N32 | C31 | C35 | C34 | 36.1° | 23.9° |
| C31 | N32 | C33 | H30 | 131.6° | 79.3° |
| C31 | N32 | C33 | H31 | 106.9° | 158.3° |
| N32 | C31 | C35 | H33 | 155.5° | 95.1° |
| N32 | C31 | C35 | H34 | 83.3° | 142.8° |
| C33 | C34 | C35 | C31 | 28.8° | 0.0° |
| C33 | C34 | C35 | F36 | 120.2° | 118.8° |
| C33 | C34 | C35 | H32 | 119.0° | 118.9° |
| C33 | C34 | F36 | H32 | 127.9° | 122.1° |
| C34 | C33 | N32 | H28 | 132.4° | 80.1° |
| C34 | C33 | H30 | H31 | 122.2° | 122.4° |
| C33 | C34 | C35 | H33 | 148.2° | 118.9° |
| C33 | C34 | C35 | H34 | 90.6° | 118.9° |
| C29 | C31 | C35 | H27 | 122.1° | 122.3° |
| C31 | C29 | O30 | N28 | 175.9° | 180.0° |
| C29 | C31 | C35 | C34 | 83.0° | 142.6° |
| C31 | C29 | N28 | C14 | 177.9° | 180.0° |
| C31 | C29 | N28 | H26 | 2.1° | 0.0° |
| C29 | C31 | N32 | H28 | 32.3° | 38.7° |
| C29 | C31 | C35 | H33 | 36.4° | 23.7° |
| C29 | C31 | C35 | H34 | 157.6° | 98.5° |
| C35 | C31 | C29 | O30 | 97.9° | 100.0° |
| C35 | C31 | C29 | N28 | 78.4° | 80.0° |
| C31 | C35 | C34 | H33 | 119.4° | 118.9° |
| C31 | C35 | C34 | H34 | 119.4° | 118.9° |
| C31 | C35 | C34 | F36 | 91.4° | 118.9° |
| C35 | C31 | N32 | H28 | 150.0° | 80.0° |
| C31 | C35 | C34 | H32 | 147.9° | 118.9° |
| C31 | C35 | H33 | H34 | 121.7° | 122.1° |
| O30 | C29 | N28 | C14 | 5.9° | 0.0° |
| O30 | C29 | N28 | H26 | 174.1° | 180.0° |
| O30 | C29 | C31 | H27 | 139.9° | 137.7° |
| C29 | N28 | C14 | H26 | 180.0° | 180.0° |
| C29 | N28 | C14 | C13 | 173.2° | 86.5° |
| C29 | N28 | C14 | C15 | 70.8° | 161.3° |
| C29 | N28 | C14 | H5 | 52.6° | 37.4° |
| N28 | C29 | C31 | H27 | 43.8° | 42.3° |
| C35 | C34 | F36 | H32 | 119.4° | 122.3° |
| C34 | C35 | C31 | H27 | 154.9° | 95.0° |
| C35 | C34 | C33 | H30 | 108.8° | 95.0° |
| C35 | C34 | C33 | H31 | 129.7° | 142.7° |
| C34 | C35 | H33 | H34 | 121.8° | 122.2° |
| F36 | C34 | C33 | H30 | 139.8° | 146.2° |
| F36 | C34 | C33 | H31 | 18.3° | 23.8° |
| F36 | C34 | C35 | H33 | 28.0° | 0.1° |
| F36 | C34 | C35 | H34 | 149.2° | 122.2° |
| N28 | C14 | C13 | C15 | 119.3° | 118.1° |
| N28 | C14 | C13 | H5 | 121.3° | 123.8° |
| N28 | C14 | C15 | H5 | 124.0° | 123.9° |
| N28 | C14 | C13 | N12 | 102.3° | 155.1° |
| N28 | C14 | C15 | C11 | 88.6° | 153.5° |
| N28 | C14 | C15 | H1 | 30.7° | 35.2° |
| N28 | C14 | C15 | H2 | 152.1° | 88.0° |
| N28 | C14 | C13 | H3 | 138.4° | 86.1° |
| N28 | C14 | C13 | H4 | 16.9° | 36.2° |
| C13 | C14 | C15 | H5 | 119.2° | 118.1° |
| C14 | C13 | N12 | H3 | 119.3° | 118.8° |
| C14 | C13 | N12 | H4 | 119.3° | 119.0° |
| C13 | C14 | C15 | C11 | 28.2° | 35.5° |
| C14 | C13 | N12 | C11 | 1.3° | 24.2° |
| C14 | C13 | N12 | C16 | 173.5° | 155.9° |
| C13 | C14 | C15 | H1 | 147.5° | 82.9° |
| C13 | C14 | C15 | H2 | 91.1° | 153.9° |
| C14 | C13 | H3 | H4 | 122.1° | 122.3° |
| C13 | C14 | N28 | H26 | 6.8° | 93.6° |
| C15 | C14 | C13 | N12 | 17.0° | 37.0° |
| C14 | C15 | C11 | H1 | 119.3° | 118.3° |
| C14 | C15 | C11 | H2 | 119.3° | 118.5° |
| C14 | C15 | C11 | N12 | 28.1° | 22.2° |
| C14 | C15 | C11 | C10 | 89.1° | 141.7° |
| C14 | C15 | H1 | H2 | 122.0° | 123.3° |
| C15 | C14 | C13 | H3 | 102.3° | 155.8° |
| C15 | C14 | C13 | H4 | 136.3° | 81.9° |
| C14 | C15 | C11 | H11 | 147.5° | 97.4° |
| C15 | C14 | N28 | H26 | 109.2° | 18.6° |
| C13 | N12 | C11 | C15 | 18.3° | 1.1° |
| C13 | N12 | C11 | C16 | 174.8° | 179.9° |
| C13 | N12 | C11 | C10 | 100.1° | 118.3° |
| C13 | N12 | C16 | O17 | 5.7° | 175.0° |
| C13 | N12 | C16 | C18 | 173.2° | 5.0° |
| N12 | C13 | H3 | H4 | 122.1° | 122.3° |
| N12 | C13 | C14 | H5 | 136.4° | 81.0° |
| C13 | N12 | C11 | H11 | 137.0° | 120.6° |
| C15 | C11 | N12 | C10 | 118.4° | 119.4° |
| C15 | C11 | N12 | H11 | 118.7° | 119.5° |
| C15 | C11 | N12 | C16 | 156.5° | 179.0° |
| C15 | C11 | C10 | H11 | 123.4° | 120.9° |
| C15 | C11 | C10 | N9 | 73.1° | 65.2° |
| C11 | C15 | H1 | H2 | 122.1° | 123.2° |
| C11 | C15 | C14 | H5 | 147.4° | 82.6° |
| C15 | C11 | C10 | H8 | 167.2° | 174.7° |
| C15 | C11 | C10 | H9 | 46.6° | 54.8° |
| N12 | C11 | C10 | H11 | 123.5° | 121.2° |
| C11 | N12 | C16 | O17 | 168.4° | 4.9° |
| N12 | C11 | C10 | N9 | 173.9° | 176.9° |
| C11 | N12 | C16 | C18 | 12.6° | 175.1° |
| N12 | C11 | C15 | H1 | 147.3° | 96.1° |
| N12 | C11 | C15 | H2 | 91.2° | 140.7° |
| C11 | N12 | C13 | H3 | 120.5° | 143.0° |
| C11 | N12 | C13 | H4 | 118.0° | 94.8° |
| N12 | C11 | C10 | H8 | 54.2° | 56.8° |
| N12 | C11 | C10 | H9 | 66.4° | 63.1° |
| C16 | N12 | C11 | C10 | 85.1° | 61.5° |
| N12 | C16 | O17 | C18 | 178.9° | 180.0° |
| N12 | C16 | C18 | C20 | 145.3° | 180.0° |
| N12 | C16 | C18 | C19 | 146.7° | 111.4° |
| C16 | N12 | C13 | H3 | 54.2° | 37.1° |
| C16 | N12 | C13 | H4 | 67.2° | 85.1° |
| C16 | N12 | C11 | H11 | 37.7° | 59.5° |
| N12 | C16 | C18 | H17 | 1.8° | 34.3° |
| C11 | C10 | N9 | H8 | 119.7° | 120.1° |
| C11 | C10 | N9 | H9 | 119.7° | 120.0° |
| C11 | C10 | N9 | C7 | 179.3° | 175.0° |
| C10 | C11 | C15 | H1 | 30.2° | 23.3° |
| C10 | C11 | C15 | H2 | 151.6° | 99.8° |
| C11 | C10 | H8 | H9 | 120.9° | 119.9° |
| C11 | C10 | N9 | H16 | 0.7° | 5.0° |
| O17 | C16 | C18 | C20 | 33.6° | 0.0° |
| O17 | C16 | C18 | C19 | 34.3° | 68.6° |
| O17 | C16 | C18 | H17 | 179.3° | 145.7° |
| C10 | N9 | C7 | H16 | 180.0° | 180.0° |
| C10 | N9 | C7 | O8 | 4.9° | 0.0° |
| C10 | N9 | C7 | C5 | 170.6° | 180.0° |
| N9 | C10 | H8 | H9 | 120.9° | 120.0° |
| N9 | C10 | C11 | H11 | 50.4° | 55.7° |
| C16 | C18 | C20 | C19 | 105.8° | 107.5° |
| C16 | C18 | C20 | H17 | 147.3° | 145.1° |
| C16 | C18 | C19 | H17 | 145.1° | 145.0° |
| C16 | C18 | C19 | H18 | 141.7° | 145.0° |
| C16 | C18 | C19 | H19 | 1.2° | 0.1° |
| C16 | C18 | C20 | H20 | 3.6° | 0.0° |
| C16 | C18 | C20 | H21 | 144.9° | 145.0° |
| N9 | C7 | O8 | C5 | 175.4° | 180.0° |
| N9 | C7 | C5 | C6 | 27.4° | 0.3° |
| N9 | C7 | C5 | C4 | 151.0° | 180.0° |
| C7 | N9 | C10 | H8 | 59.6° | 65.0° |
| C7 | N9 | C10 | H9 | 61.0° | 55.0° |
| O8 | C7 | C5 | C6 | 157.5° | 179.7° |
| O8 | C7 | C5 | C4 | 24.1° | 0.1° |
| O8 | C7 | N9 | H16 | 175.1° | 180.0° |
| C7 | C5 | C6 | C4 | 178.5° | 179.6° |
| C7 | C5 | C6 | C8 | 177.9° | 179.7° |
| C7 | C5 | C4 | C3 | 176.8° | 179.9° |
| C7 | C5 | C4 | H13 | 3.1° | 0.1° |
| C7 | C5 | C6 | H15 | 2.1° | 0.3° |
| C5 | C7 | N9 | H16 | 9.4° | 0.1° |
| C5 | C6 | C8 | H15 | 180.0° | 180.0° |
| C5 | C6 | C8 | C2 | 0.1° | 0.6° |
| C6 | C5 | C4 | C3 | 1.6° | 0.3° |
| C6 | C5 | C4 | H13 | 178.4° | 179.7° |
| C5 | C6 | C8 | H14 | 179.9° | 179.7° |
| C8 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C8 | C2 | H14 | 180.0° | 179.2° |
| C6 | C8 | C2 | C3 | 0.3° | 0.9° |
| C6 | C8 | C2 | C1 | 176.3° | 179.3° |
| C5 | C4 | C3 | H13 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.1° | 0.0° |
| C5 | C4 | C3 | H12 | 177.9° | 179.4° |
| C4 | C5 | C6 | H15 | 179.4° | 180.0° |
| C20 | C18 | C19 | H17 | 106.3° | 107.5° |
| C18 | C20 | C19 | H20 | 109.3° | 107.5° |
| C18 | C20 | C19 | H21 | 109.4° | 107.5° |
| C20 | C18 | C19 | H18 | 109.7° | 107.5° |
| C20 | C18 | C19 | H19 | 109.7° | 107.6° |
| C18 | C20 | H20 | H21 | 145.0° | 145.7° |
| C18 | C19 | H18 | H19 | 144.3° | 145.6° |
| C8 | C2 | C3 | C4 | 1.4° | 0.6° |
| C8 | C2 | C3 | C1 | 176.0° | 179.8° |
| C8 | C2 | C1 | C21 | 98.7° | 88.0° |
| C8 | C2 | C3 | H12 | 178.6° | 180.0° |
| C2 | C8 | C6 | H15 | 180.0° | 179.5° |
| C4 | C3 | C2 | H12 | 180.0° | 179.4° |
| C4 | C3 | C2 | C1 | 177.4° | 179.5° |
| C20 | C19 | H18 | H19 | 144.3° | 145.8° |
| C19 | C20 | H20 | H21 | 145.0° | 145.7° |
| C3 | C2 | C1 | C21 | 77.1° | 92.1° |
| C2 | C3 | C4 | H13 | 177.9° | 179.9° |
| C3 | C2 | C8 | H14 | 179.7° | 180.0° |
| C2 | C1 | C21 | C22 | 2.7° | 146.6° |
| C1 | C2 | C3 | H12 | 2.6° | 0.1° |
| C1 | C2 | C8 | H14 | 3.7° | 0.1° |
| C1 | C21 | C22 | C23 | 87.3° | 125.4° |
| C1 | C21 | C22 | C27 | 90.5° | 54.3° |
| C21 | C22 | C23 | C27 | 178.0° | 179.7° |
| C21 | C22 | C23 | C24 | 178.3° | 180.0° |
| C21 | C22 | C27 | C26 | 177.3° | 179.7° |
| C21 | C22 | C23 | H22 | 1.7° | 0.1° |
| C21 | C22 | C27 | H25 | 2.7° | 0.0° |
| C22 | C23 | C24 | H22 | 180.0° | 179.9° |
| C23 | C22 | C27 | C26 | 0.6° | 0.6° |
| C22 | C23 | C24 | C25 | 0.8° | 0.0° |
| C22 | C23 | C24 | H23 | 179.2° | 180.0° |
| C23 | C22 | C27 | H25 | 179.4° | 179.7° |
| C27 | C22 | C23 | C24 | 0.4° | 0.3° |
| C22 | C27 | C26 | H25 | 180.0° | 179.7° |
| C22 | C27 | C26 | C25 | 1.1° | 0.6° |
| C27 | C22 | C23 | H22 | 179.6° | 179.8° |
| C22 | C27 | C26 | H24 | 178.8° | 179.6° |
| C23 | C24 | C25 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C23 | C24 | C25 | C9 | 179.2° | 180.0° |
| C27 | C26 | C25 | C24 | 0.7° | 0.3° |
| C27 | C26 | C25 | H24 | 180.0° | 179.8° |
| C27 | C26 | C25 | C9 | 179.8° | 179.7° |
| C24 | C25 | C26 | C9 | 179.5° | 180.0° |
| C24 | C25 | C9 | O40 | 0.9° | 140.0° |
| C24 | C25 | C9 | C12 | 119.2° | 100.0° |
| C24 | C25 | C9 | H10 | 119.1° | 20.0° |
| C25 | C24 | C23 | H22 | 179.2° | 179.9° |
| C24 | C25 | C26 | H24 | 179.3° | 179.9° |
| C28 | O27 | C12 | C9 | 130.4° | 180.0° |
| C28 | O27 | C12 | H6 | 108.8° | 60.0° |
| C28 | O27 | C12 | H7 | 9.7° | 60.0° |
| O27 | C28 | H35 | H36 | 120.0° | 120.0° |
| O27 | C28 | H35 | H37 | 120.0° | 119.9° |
| O27 | C28 | H36 | H37 | 120.0° | 120.0° |
| O27 | C12 | C9 | C25 | 25.4° | 175.0° |
| O27 | C12 | C9 | O40 | 96.7° | 65.0° |
| O27 | C12 | C9 | H6 | 120.8° | 120.0° |
| O27 | C12 | C9 | H7 | 120.8° | 120.0° |
| O27 | C12 | H6 | H7 | 117.6° | 120.0° |
| O27 | C12 | C9 | H10 | 147.3° | 55.0° |
| C12 | O27 | C28 | H35 | 180.0° | 180.0° |
| C12 | O27 | C28 | H36 | 60.0° | 60.0° |
| C12 | O27 | C28 | H37 | 60.0° | 60.0° |
| C26 | C25 | C9 | O40 | 178.5° | 40.0° |
| C26 | C25 | C9 | C12 | 61.3° | 80.0° |
| C26 | C25 | C9 | H10 | 60.4° | 160.0° |
| C26 | C25 | C24 | H23 | 179.7° | 180.0° |
| C25 | C26 | C27 | H25 | 178.9° | 179.7° |
| C25 | C9 | O40 | C12 | 127.6° | 120.0° |
| C25 | C9 | O40 | H10 | 117.5° | 120.0° |
| C25 | C9 | C12 | H10 | 122.0° | 120.0° |
| C25 | C9 | C12 | H6 | 95.4° | 55.0° |
| C25 | C9 | C12 | H7 | 146.2° | 65.0° |
| C9 | C25 | C24 | H23 | 0.8° | 0.0° |
| C9 | C25 | C26 | H24 | 0.2° | 0.1° |
| C25 | C9 | O40 | H38 | 180.0° | 60.0° |
| O40 | C9 | C12 | H10 | 116.0° | 120.0° |
| O40 | C9 | C12 | H6 | 142.5° | 175.0° |
| O40 | C9 | C12 | H7 | 24.1° | 55.0° |
| C9 | C12 | H6 | H7 | 117.5° | 120.1° |
| C12 | C9 | O40 | H38 | 52.4° | 60.0° |
| H1 | C15 | C14 | H5 | 93.3° | 159.1° |
| H1 | C15 | C11 | H11 | 93.2° | 144.2° |
| H2 | C15 | C14 | H5 | 28.1° | 35.9° |
| H2 | C15 | C11 | H11 | 28.2° | 21.1° |
| H3 | C13 | C14 | H5 | 17.1° | 37.8° |
| H4 | C13 | C14 | H5 | 104.4° | 160.0° |
| H5 | C14 | N28 | H26 | 127.4° | 142.6° |
| H6 | C12 | C9 | H10 | 26.5° | 65.0° |
| H7 | C12 | C9 | H10 | 91.9° | 175.0° |
| H8 | C10 | C11 | H11 | 69.3° | 64.4° |
| H8 | C10 | N9 | H16 | 120.4° | 115.0° |
| H9 | C10 | C11 | H11 | 170.1° | 175.7° |
| H9 | C10 | N9 | H16 | 119.0° | 125.0° |
| H10 | C9 | O40 | H38 | 62.5° | 180.0° |
| H12 | C3 | C4 | H13 | 2.1° | 0.5° |
| H14 | C8 | C6 | H15 | 0.0° | 0.3° |
| H17 | C18 | C19 | H18 | 3.4° | 0.0° |
| H17 | C18 | C19 | H19 | 144.0° | 144.9° |
| H17 | C18 | C20 | H20 | 143.7° | 145.0° |
| H17 | C18 | C20 | H21 | 2.5° | 0.0° |
| H18 | C19 | C20 | H20 | 141.0° | 145.0° |
| H18 | C19 | C20 | H21 | 0.3° | 0.0° |
| H19 | C19 | C20 | H20 | 0.4° | 0.1° |
| H19 | C19 | C20 | H21 | 140.9° | 145.1° |
| H22 | C23 | C24 | H23 | 0.8° | 0.1° |
| H24 | C26 | C27 | H25 | 1.1° | 0.0° |
| H27 | C31 | N32 | H28 | 91.8° | 161.1° |
| H27 | C31 | C35 | H33 | 85.7° | 146.0° |
| H27 | C31 | C35 | H34 | 35.5° | 23.9° |
| H28 | N32 | C33 | H30 | 108.3° | 161.1° |
| H28 | N32 | C33 | H31 | 13.1° | 38.7° |
| H30 | C33 | C34 | H32 | 10.6° | 24.1° |
| H31 | C33 | C34 | H32 | 110.8° | 98.3° |
| H32 | C34 | C35 | H33 | 92.7° | 122.2° |
| H32 | C34 | C35 | H34 | 28.5° | 0.0° |
| H35 | C28 | H36 | H37 | 120.0° | 120.1° |
