7E4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.47Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | trip | 1.17Å | 1.28Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.43Å | 1.29Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.48Å | |
| C19 | C18 | sing | 1.54Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C18 | N22 | sing | 1.47Å | 1.49Å | |
| N22 | C23 | sing | 1.38Å | 1.42Å | |
| N24 | C23 | doub | 1.32Å | 1.36Å | Aromatic |
| N24 | C25 | sing | 1.33Å | 1.36Å | Aromatic |
| N37 | C38 | doub | 1.32Å | 1.35Å | Aromatic |
| N37 | C36 | sing | 1.32Å | 1.35Å | Aromatic |
| C23 | C32 | sing | 1.42Å | 1.42Å | Aromatic |
| C38 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C25 | sing | 1.48Å | 1.49Å | |
| C33 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | N26 | doub | 1.32Å | 1.36Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| N26 | C27 | sing | 1.34Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | O2 | sing | 1.34Å | 1.34Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| N22 | H20 | sing | 0.97Å | 1.00Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| O2 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 114.0° | 109.5° |
| C9 | C10 | C11 | 105.3° | 109.5° |
| C10 | C9 | H27 | 108.3° | 109.5° |
| C10 | C9 | H28 | 108.3° | 109.5° |
| C9 | C10 | H29 | 110.5° | 109.4° |
| C9 | C10 | H30 | 110.5° | 109.5° |
| C9 | C8 | C7 | 113.3° | 109.5° |
| C9 | C8 | H11 | 108.5° | 109.5° |
| C9 | C8 | H12 | 108.5° | 109.4° |
| C8 | C9 | H27 | 108.3° | 109.5° |
| C8 | C9 | H28 | 108.3° | 109.4° |
| C10 | C11 | C12 | 178.9° | 179.9° |
| C11 | C10 | H29 | 110.5° | 109.5° |
| C11 | C10 | H30 | 110.5° | 109.4° |
| C7 | C6 | C5 | 115.8° | 109.5° |
| C6 | C7 | C8 | 113.1° | 109.5° |
| C7 | C6 | H7 | 107.9° | 109.4° |
| C7 | C6 | H8 | 107.9° | 109.4° |
| C6 | C7 | H9 | 108.6° | 109.5° |
| C6 | C7 | H10 | 108.6° | 109.5° |
| C6 | C5 | C4 | 114.5° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.4° |
| C6 | C5 | H6 | 108.2° | 109.5° |
| C5 | C6 | H7 | 107.9° | 109.5° |
| C5 | C6 | H8 | 107.9° | 109.5° |
| C8 | C7 | H9 | 108.6° | 109.5° |
| C8 | C7 | H10 | 108.5° | 109.4° |
| C7 | C8 | H11 | 108.5° | 109.5° |
| C7 | C8 | H12 | 108.5° | 109.5° |
| C11 | C12 | C13 | 164.6° | 180.0° |
| C5 | C4 | C3 | 113.4° | 109.5° |
| C5 | C4 | H3 | 108.5° | 109.5° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| C4 | C5 | H6 | 108.2° | 109.5° |
| C4 | C3 | C2 | 107.3° | 109.5° |
| C4 | C3 | H1 | 110.0° | 109.5° |
| C4 | C3 | H2 | 110.0° | 109.5° |
| C3 | C4 | H3 | 108.5° | 109.5° |
| C3 | C4 | H4 | 108.5° | 109.4° |
| C12 | C13 | C14 | 113.4° | 120.2° |
| C12 | C13 | C21 | 122.9° | 120.2° |
| C3 | C2 | O1 | 119.8° | 120.0° |
| C3 | C2 | O2 | 116.8° | 120.0° |
| C2 | C3 | H1 | 110.0° | 109.5° |
| C2 | C3 | H2 | 110.0° | 109.5° |
| C14 | C13 | C21 | 122.4° | 119.6° |
| C13 | C14 | C15 | 120.1° | 119.8° |
| C13 | C14 | H31 | 119.9° | 120.1° |
| C13 | C21 | C20 | 115.9° | 120.1° |
| C13 | C21 | H19 | 122.1° | 119.9° |
| C14 | C15 | C16 | 117.6° | 120.4° |
| C14 | C15 | H13 | 121.2° | 119.8° |
| C15 | C14 | H31 | 119.9° | 120.1° |
| O1 | C2 | O2 | 123.3° | 120.0° |
| C21 | C20 | C16 | 120.6° | 120.0° |
| C21 | C20 | C19 | 130.0° | 130.2° |
| C20 | C21 | H19 | 122.1° | 120.0° |
| C15 | C16 | C20 | 123.1° | 120.1° |
| C15 | C16 | C17 | 123.0° | 130.2° |
| C16 | C15 | H13 | 121.2° | 119.9° |
| C16 | C20 | C19 | 109.5° | 109.8° |
| C20 | C16 | C17 | 113.9° | 109.7° |
| C20 | C19 | C18 | 101.4° | 105.1° |
| C20 | C19 | H17 | 111.5° | 110.3° |
| C20 | C19 | H18 | 111.4° | 110.4° |
| C16 | C17 | C18 | 100.2° | 105.2° |
| C16 | C17 | H14 | 111.7° | 110.3° |
| C16 | C17 | H15 | 111.7° | 110.3° |
| C19 | C18 | C17 | 107.4° | 102.4° |
| C19 | C18 | N22 | 113.2° | 110.8° |
| C19 | C18 | H16 | 108.3° | 111.0° |
| C18 | C19 | H17 | 111.4° | 110.3° |
| C18 | C19 | H18 | 111.5° | 110.3° |
| C17 | C18 | N22 | 110.4° | 110.9° |
| C18 | C17 | H14 | 111.8° | 110.3° |
| C18 | C17 | H15 | 111.7° | 110.3° |
| C17 | C18 | H16 | 108.4° | 110.8° |
| C18 | N22 | C23 | 115.9° | 120.0° |
| N22 | C18 | H16 | 109.0° | 110.7° |
| C18 | N22 | H20 | 107.8° | 120.0° |
| N22 | C23 | N24 | 120.6° | 120.8° |
| N22 | C23 | C32 | 120.4° | 120.9° |
| C23 | N22 | H20 | 107.9° | 120.0° |
| C23 | N24 | C25 | 121.5° | 121.4° |
| N24 | C23 | C32 | 119.0° | 118.3° |
| N24 | C25 | C33 | 121.1° | 118.6° |
| N24 | C25 | N26 | 119.8° | 122.8° |
| C38 | N37 | C36 | 121.2° | 121.9° |
| N37 | C38 | C33 | 120.8° | 120.6° |
| N37 | C38 | H26 | 119.6° | 119.7° |
| N37 | C36 | C35 | 120.2° | 121.1° |
| N37 | C36 | H25 | 119.9° | 119.5° |
| C23 | C32 | C31 | 123.8° | 122.0° |
| C23 | C32 | C27 | 118.6° | 118.3° |
| C38 | C33 | C25 | 120.1° | 120.5° |
| C38 | C33 | C34 | 118.6° | 118.9° |
| C33 | C38 | H26 | 119.6° | 119.8° |
| C36 | C35 | C34 | 119.8° | 119.3° |
| C36 | C35 | H24 | 120.1° | 120.4° |
| C35 | C36 | H25 | 119.9° | 119.5° |
| C25 | C33 | C34 | 121.3° | 120.6° |
| C33 | C25 | N26 | 119.1° | 118.6° |
| C33 | C34 | C35 | 119.4° | 118.3° |
| C33 | C34 | H23 | 120.3° | 120.8° |
| C25 | N26 | C27 | 121.6° | 120.4° |
| C31 | C32 | C27 | 117.6° | 119.7° |
| C32 | C31 | C30 | 122.0° | 119.5° |
| C32 | C31 | H22 | 119.0° | 120.2° |
| C32 | C27 | N26 | 119.5° | 118.8° |
| C32 | C27 | C28 | 120.4° | 119.3° |
| C31 | C30 | C29 | 119.6° | 120.9° |
| C31 | C30 | H21 | 120.2° | 119.6° |
| C30 | C31 | H22 | 119.0° | 120.3° |
| C35 | C34 | H23 | 120.3° | 120.8° |
| C34 | C35 | H24 | 120.1° | 120.4° |
| N26 | C27 | C28 | 120.1° | 121.9° |
| C27 | C28 | C29 | 120.9° | 119.6° |
| C27 | C28 | H33 | 119.5° | 120.2° |
| C30 | C29 | C28 | 119.5° | 121.0° |
| C29 | C30 | H21 | 120.2° | 119.5° |
| C30 | C29 | H32 | 120.3° | 119.5° |
| C28 | C29 | H32 | 120.2° | 119.5° |
| C29 | C28 | H33 | 119.5° | 120.2° |
| C2 | O2 | H34 | 109.5° | 117.0° |
| H1 | C3 | H2 | 109.5° | 109.4° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 110.3° |
| H17 | C19 | H18 | 109.4° | 110.3° |
| H27 | C9 | H28 | 109.5° | 109.4° |
| H29 | C10 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H27 | 120.7° | 120.1° |
| C10 | C9 | C8 | H28 | 120.7° | 120.0° |
| C9 | C10 | C11 | H29 | 119.4° | 120.0° |
| C9 | C10 | C11 | H30 | 119.3° | 120.1° |
| C10 | C9 | C8 | C7 | 178.7° | 180.0° |
| C9 | C10 | C11 | C12 | 59.7° | 34.3° |
| C10 | C9 | C8 | H11 | 60.8° | 59.9° |
| C10 | C9 | C8 | H12 | 58.1° | 60.0° |
| C10 | C9 | H27 | H28 | 117.9° | 120.0° |
| C9 | C10 | H29 | H30 | 121.9° | 120.0° |
| C8 | C9 | C10 | C11 | 53.3° | 180.0° |
| C9 | C8 | C7 | C6 | 155.9° | 179.9° |
| C9 | C8 | C7 | H11 | 120.6° | 120.1° |
| C9 | C8 | C7 | H12 | 120.6° | 120.0° |
| C9 | C8 | C7 | H9 | 83.6° | 59.9° |
| C9 | C8 | C7 | H10 | 35.3° | 60.0° |
| C9 | C8 | H11 | H12 | 118.3° | 120.0° |
| C8 | C9 | H27 | H28 | 117.9° | 120.0° |
| C8 | C9 | C10 | H29 | 172.6° | 60.0° |
| C8 | C9 | C10 | H30 | 66.1° | 60.0° |
| C10 | C11 | C12 | C13 | 51.9° | 161.7° |
| C11 | C10 | C9 | H27 | 173.9° | 59.9° |
| C11 | C10 | C9 | H28 | 67.4° | 60.0° |
| C11 | C10 | H29 | H30 | 121.9° | 119.9° |
| C7 | C6 | C5 | H7 | 120.9° | 119.9° |
| C7 | C6 | C5 | H8 | 120.9° | 120.0° |
| C6 | C7 | C8 | H9 | 120.5° | 120.0° |
| C6 | C7 | C8 | H10 | 120.6° | 120.0° |
| C7 | C6 | C5 | C4 | 108.9° | 180.0° |
| C7 | C6 | C5 | H5 | 11.8° | 60.0° |
| C7 | C6 | C5 | H6 | 130.4° | 60.0° |
| C7 | C6 | H7 | H8 | 117.1° | 120.0° |
| C6 | C7 | H9 | H10 | 118.4° | 120.0° |
| C6 | C7 | C8 | H11 | 83.5° | 60.0° |
| C6 | C7 | C8 | H12 | 35.3° | 60.0° |
| C5 | C6 | C7 | C8 | 65.0° | 180.0° |
| C6 | C5 | C4 | H5 | 120.8° | 119.9° |
| C6 | C5 | C4 | H6 | 120.8° | 120.0° |
| C6 | C5 | C4 | C3 | 158.9° | 180.0° |
| C6 | C5 | C4 | H3 | 38.3° | 60.0° |
| C6 | C5 | C4 | H4 | 80.5° | 60.0° |
| C6 | C5 | H5 | H6 | 117.7° | 120.0° |
| C5 | C6 | H7 | H8 | 117.2° | 120.1° |
| C5 | C6 | C7 | H9 | 55.5° | 60.0° |
| C5 | C6 | C7 | H10 | 174.5° | 60.0° |
| C8 | C7 | C6 | H7 | 55.9° | 60.0° |
| C8 | C7 | C6 | H8 | 174.1° | 60.0° |
| C8 | C7 | H9 | H10 | 118.3° | 120.0° |
| C7 | C8 | H11 | H12 | 118.2° | 120.0° |
| C7 | C8 | C9 | H27 | 58.0° | 59.9° |
| C7 | C8 | C9 | H28 | 60.7° | 60.0° |
| C11 | C12 | C13 | C14 | 2.0° | 15.9° |
| C11 | C12 | C13 | C21 | 168.7° | 164.5° |
| C12 | C11 | C10 | H29 | 59.7° | 154.2° |
| C12 | C11 | C10 | H30 | 179.0° | 85.8° |
| C5 | C4 | C3 | H3 | 120.6° | 120.0° |
| C5 | C4 | C3 | H4 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 65.0° | 180.0° |
| C5 | C4 | C3 | H1 | 54.7° | 60.0° |
| C5 | C4 | C3 | H2 | 175.3° | 60.0° |
| C5 | C4 | H3 | H4 | 118.2° | 120.0° |
| C4 | C5 | H5 | H6 | 117.7° | 120.1° |
| C4 | C5 | C6 | H7 | 130.2° | 60.1° |
| C4 | C5 | C6 | H8 | 12.0° | 60.0° |
| C4 | C3 | C2 | H1 | 119.6° | 120.0° |
| C4 | C3 | C2 | H2 | 119.6° | 120.0° |
| C4 | C3 | C2 | O1 | 79.5° | 0.0° |
| C4 | C3 | C2 | O2 | 98.3° | 179.7° |
| C4 | C3 | H1 | H2 | 121.0° | 120.0° |
| C3 | C4 | H3 | H4 | 118.2° | 120.0° |
| C3 | C4 | C5 | H5 | 80.4° | 60.0° |
| C3 | C4 | C5 | H6 | 38.1° | 60.0° |
| C12 | C13 | C14 | C21 | 166.8° | 179.6° |
| C12 | C13 | C14 | C15 | 173.8° | 180.0° |
| C12 | C13 | C21 | C20 | 172.1° | 179.8° |
| C12 | C13 | C21 | H19 | 7.9° | 0.2° |
| C12 | C13 | C14 | H31 | 6.2° | 0.5° |
| C3 | C2 | O1 | O2 | 177.7° | 179.8° |
| C2 | C3 | H1 | H2 | 121.1° | 120.0° |
| C2 | C3 | C4 | H3 | 174.4° | 59.9° |
| C2 | C3 | C4 | H4 | 55.6° | 60.0° |
| C3 | C2 | O2 | H34 | 177.7° | 179.7° |
| C13 | C14 | C15 | H31 | 180.0° | 179.5° |
| C14 | C13 | C21 | C20 | 6.5° | 0.6° |
| C13 | C14 | C15 | C16 | 3.9° | 0.0° |
| C13 | C14 | C15 | H13 | 176.1° | 179.8° |
| C14 | C13 | C21 | H19 | 173.5° | 179.8° |
| C21 | C13 | C14 | C15 | 7.0° | 0.5° |
| C13 | C21 | C20 | H19 | 180.0° | 179.6° |
| C13 | C21 | C20 | C16 | 3.4° | 0.4° |
| C13 | C21 | C20 | C19 | 177.2° | 179.5° |
| C21 | C13 | C14 | H31 | 173.0° | 180.0° |
| C14 | C15 | C16 | H13 | 180.0° | 179.8° |
| C14 | C15 | C16 | C20 | 0.9° | 0.2° |
| C14 | C15 | C16 | C17 | 178.8° | 179.8° |
| O1 | C2 | C3 | H1 | 160.8° | 120.0° |
| O1 | C2 | C3 | H2 | 40.1° | 120.0° |
| O1 | C2 | O2 | H34 | 0.0° | 0.1° |
| C21 | C20 | C16 | C15 | 0.8° | 0.1° |
| C21 | C20 | C16 | C19 | 179.5° | 179.9° |
| C21 | C20 | C16 | C17 | 179.0° | 179.9° |
| C21 | C20 | C19 | C18 | 162.5° | 162.7° |
| C21 | C20 | C19 | H17 | 43.8° | 78.4° |
| C21 | C20 | C19 | H18 | 78.8° | 43.8° |
| C15 | C16 | C20 | C17 | 179.7° | 180.0° |
| C15 | C16 | C20 | C19 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 163.6° | 162.8° |
| C15 | C16 | C17 | H14 | 77.9° | 78.3° |
| C15 | C16 | C17 | H15 | 45.1° | 43.8° |
| C16 | C15 | C14 | H31 | 176.1° | 179.5° |
| C16 | C20 | C19 | C18 | 16.9° | 17.2° |
| C20 | C16 | C17 | C18 | 16.2° | 17.2° |
| C20 | C16 | C15 | H13 | 179.1° | 180.0° |
| C20 | C16 | C17 | H14 | 102.3° | 101.7° |
| C20 | C16 | C17 | H15 | 134.6° | 136.2° |
| C16 | C20 | C19 | H17 | 135.6° | 101.7° |
| C16 | C20 | C19 | H18 | 101.8° | 136.1° |
| C16 | C20 | C21 | H19 | 176.6° | 180.0° |
| C19 | C20 | C16 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | H17 | 118.7° | 118.9° |
| C20 | C19 | C18 | H18 | 118.7° | 119.0° |
| C20 | C19 | C18 | C17 | 26.9° | 26.4° |
| C20 | C19 | C18 | N22 | 149.1° | 144.7° |
| C20 | C19 | C18 | H16 | 89.9° | 91.9° |
| C20 | C19 | H17 | H18 | 123.7° | 122.3° |
| C19 | C20 | C21 | H19 | 2.8° | 0.0° |
| C16 | C17 | C18 | C19 | 26.2° | 26.4° |
| C16 | C17 | C18 | H14 | 118.5° | 118.9° |
| C16 | C17 | C18 | H15 | 118.5° | 119.0° |
| C16 | C17 | C18 | N22 | 150.1° | 144.6° |
| C17 | C16 | C15 | H13 | 1.2° | 0.0° |
| C16 | C17 | H14 | H15 | 124.3° | 122.2° |
| C16 | C17 | C18 | H16 | 90.5° | 92.0° |
| C19 | C18 | C17 | N22 | 123.9° | 118.3° |
| C19 | C18 | C17 | H16 | 116.8° | 118.4° |
| C19 | C18 | N22 | H16 | 120.6° | 123.6° |
| C19 | C18 | N22 | C23 | 143.7° | 160.5° |
| C19 | C18 | C17 | H14 | 92.3° | 92.5° |
| C19 | C18 | C17 | H15 | 144.7° | 145.4° |
| C18 | C19 | H17 | H18 | 123.8° | 122.1° |
| C19 | C18 | N22 | H20 | 22.8° | 19.5° |
| C17 | C18 | N22 | H16 | 119.0° | 123.4° |
| C17 | C18 | N22 | C23 | 95.9° | 86.4° |
| C18 | C17 | H14 | H15 | 124.3° | 122.1° |
| C17 | C18 | C19 | H17 | 145.6° | 92.5° |
| C17 | C18 | C19 | H18 | 91.8° | 145.4° |
| C17 | C18 | N22 | H20 | 143.2° | 93.5° |
| C18 | N22 | C23 | H20 | 120.9° | 179.9° |
| C18 | N22 | C23 | N24 | 3.4° | 0.3° |
| C18 | N22 | C23 | C32 | 174.4° | 180.0° |
| N22 | C18 | C17 | H14 | 31.6° | 25.8° |
| N22 | C18 | C17 | H15 | 91.4° | 96.4° |
| N22 | C18 | C19 | H17 | 92.2° | 25.8° |
| N22 | C18 | C19 | H18 | 30.4° | 96.3° |
| N22 | C23 | N24 | C32 | 177.8° | 179.7° |
| N22 | C23 | N24 | C25 | 178.0° | 180.0° |
| N22 | C23 | C32 | C31 | 1.8° | 0.1° |
| N22 | C23 | C32 | C27 | 178.6° | 180.0° |
| C23 | N22 | C18 | H16 | 23.1° | 37.0° |
| C23 | N24 | C25 | C33 | 178.9° | 179.7° |
| C23 | N24 | C25 | N26 | 0.1° | 0.0° |
| N24 | C23 | C32 | C31 | 179.6° | 179.7° |
| N24 | C23 | C32 | C27 | 0.9° | 0.3° |
| N24 | C23 | N22 | H20 | 124.3° | 179.7° |
| C25 | N24 | C23 | C32 | 0.2° | 0.3° |
| N24 | C25 | C33 | C38 | 35.6° | 0.6° |
| N24 | C25 | C33 | N26 | 179.0° | 179.7° |
| N24 | C25 | C33 | C34 | 144.7° | 179.7° |
| N24 | C25 | N26 | C27 | 0.8° | 0.3° |
| N37 | C38 | C33 | H26 | 180.0° | 179.8° |
| C38 | N37 | C36 | C35 | 0.9° | 0.3° |
| N37 | C38 | C33 | C25 | 179.7° | 179.8° |
| N37 | C38 | C33 | C34 | 0.0° | 0.5° |
| C38 | N37 | C36 | H25 | 179.1° | 179.8° |
| C36 | N37 | C38 | C33 | 0.6° | 0.5° |
| N37 | C36 | C35 | H25 | 180.0° | 179.9° |
| N37 | C36 | C35 | C34 | 0.6° | 0.0° |
| N37 | C36 | C35 | H24 | 179.4° | 180.0° |
| C36 | N37 | C38 | H26 | 179.4° | 179.7° |
| C23 | C32 | C31 | C27 | 179.6° | 179.9° |
| C23 | C32 | C31 | C30 | 179.6° | 180.0° |
| C23 | C32 | C27 | N26 | 1.5° | 0.0° |
| C23 | C32 | C27 | C28 | 179.9° | 180.0° |
| C32 | C23 | N22 | H20 | 53.4° | 0.0° |
| C23 | C32 | C31 | H22 | 0.4° | 0.1° |
| C38 | C33 | C25 | C34 | 179.7° | 179.7° |
| C38 | C33 | C25 | N26 | 143.4° | 179.7° |
| C38 | C33 | C34 | C35 | 0.3° | 0.2° |
| C38 | C33 | C34 | H23 | 179.7° | 179.8° |
| C36 | C35 | C34 | C33 | 0.0° | 0.0° |
| C36 | C35 | C34 | H24 | 180.0° | 180.0° |
| C36 | C35 | C34 | H23 | 180.0° | 180.0° |
| C25 | C33 | C34 | C35 | 179.4° | 179.9° |
| C33 | C25 | N26 | C27 | 178.2° | 180.0° |
| C25 | C33 | C34 | H23 | 0.6° | 0.1° |
| C25 | C33 | C38 | H26 | 0.3° | 0.0° |
| C34 | C33 | C25 | N26 | 36.3° | 0.0° |
| C33 | C34 | C35 | H23 | 180.0° | 180.0° |
| C33 | C34 | C35 | H24 | 180.0° | 180.0° |
| C34 | C33 | C38 | H26 | 180.0° | 179.7° |
| C25 | N26 | C27 | C32 | 1.5° | 0.2° |
| C25 | N26 | C27 | C28 | 179.9° | 179.7° |
| C32 | C31 | C30 | H22 | 180.0° | 179.9° |
| C31 | C32 | C27 | N26 | 178.9° | 179.9° |
| C31 | C32 | C27 | C28 | 0.5° | 0.0° |
| C32 | C31 | C30 | C29 | 0.3° | 0.1° |
| C32 | C31 | C30 | H21 | 179.7° | 180.0° |
| C27 | C32 | C31 | C30 | 0.0° | 0.1° |
| C32 | C27 | N26 | C28 | 178.4° | 180.0° |
| C32 | C27 | C28 | C29 | 0.6° | 0.0° |
| C27 | C32 | C31 | H22 | 180.0° | 180.0° |
| C32 | C27 | C28 | H33 | 179.4° | 179.9° |
| C31 | C30 | C29 | H21 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.1° | 0.1° |
| C31 | C30 | C29 | H32 | 179.9° | 180.0° |
| C34 | C35 | C36 | H25 | 179.5° | 180.0° |
| N26 | C27 | C28 | C29 | 179.1° | 179.9° |
| N26 | C27 | C28 | H33 | 0.9° | 0.0° |
| C27 | C28 | C29 | C30 | 0.3° | 0.0° |
| C27 | C28 | C29 | H33 | 180.0° | 179.9° |
| C27 | C28 | C29 | H32 | 179.6° | 180.0° |
| C30 | C29 | C28 | H32 | 180.0° | 180.0° |
| C29 | C30 | C31 | H22 | 179.7° | 180.0° |
| C30 | C29 | C28 | H33 | 179.7° | 180.0° |
| C28 | C29 | C30 | H21 | 179.9° | 180.0° |
| O2 | C2 | C3 | H1 | 21.3° | 60.2° |
| O2 | C2 | C3 | H2 | 142.1° | 59.7° |
| H1 | C3 | C4 | H3 | 65.9° | 180.0° |
| H1 | C3 | C4 | H4 | 175.2° | 60.0° |
| H2 | C3 | C4 | H3 | 54.8° | 60.1° |
| H2 | C3 | C4 | H4 | 64.1° | 180.0° |
| H3 | C4 | C5 | H5 | 159.1° | 179.9° |
| H3 | C4 | C5 | H6 | 82.4° | 60.0° |
| H4 | C4 | C5 | H5 | 40.2° | 60.0° |
| H4 | C4 | C5 | H6 | 158.7° | 180.0° |
| H5 | C5 | C6 | H7 | 109.1° | 180.0° |
| H5 | C5 | C6 | H8 | 132.8° | 60.0° |
| H6 | C5 | C6 | H7 | 9.5° | 60.0° |
| H6 | C5 | C6 | H8 | 108.7° | 180.0° |
| H7 | C6 | C7 | H9 | 176.5° | 179.9° |
| H7 | C6 | C7 | H10 | 64.6° | 60.0° |
| H8 | C6 | C7 | H9 | 65.4° | 60.0° |
| H8 | C6 | C7 | H10 | 53.5° | 180.0° |
| H9 | C7 | C8 | H11 | 37.0° | 180.0° |
| H9 | C7 | C8 | H12 | 155.9° | 60.0° |
| H10 | C7 | C8 | H11 | 155.9° | 60.0° |
| H10 | C7 | C8 | H12 | 85.2° | 180.0° |
| H11 | C8 | C9 | H27 | 178.5° | 180.0° |
| H11 | C8 | C9 | H28 | 59.9° | 60.0° |
| H12 | C8 | C9 | H27 | 62.6° | 60.0° |
| H12 | C8 | C9 | H28 | 178.8° | 180.0° |
| H13 | C15 | C14 | H31 | 3.9° | 0.2° |
| H14 | C17 | C18 | H16 | 151.0° | 149.1° |
| H15 | C17 | C18 | H16 | 27.9° | 27.0° |
| H16 | C18 | C19 | H17 | 28.8° | 149.2° |
| H16 | C18 | C19 | H18 | 151.4° | 27.1° |
| H16 | C18 | N22 | H20 | 97.9° | 143.1° |
| H21 | C30 | C31 | H22 | 0.3° | 0.1° |
| H21 | C30 | C29 | H32 | 0.1° | 0.1° |
| H23 | C34 | C35 | H24 | 0.0° | 0.0° |
| H24 | C35 | C36 | H25 | 0.6° | 0.0° |
| H27 | C9 | C10 | H29 | 66.7° | 60.0° |
| H27 | C9 | C10 | H30 | 54.6° | 179.9° |
| H28 | C9 | C10 | H29 | 51.9° | 180.0° |
| H28 | C9 | C10 | H30 | 173.2° | 60.0° |
| H32 | C29 | C28 | H33 | 0.3° | 0.1° |
