D9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C1 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C10 | sing | 1.74Å | 1.72Å | |
| C2 | N3 | sing | 1.40Å | 1.49Å | |
| C2 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| N3 | C23 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | sing | 1.50Å | 1.56Å | |
| C4 | O22 | doub | 1.21Å | 1.20Å | |
| C5 | O6 | sing | 1.43Å | 1.44Å | |
| C5 | C28 | sing | 1.53Å | 1.53Å | |
| O6 | C7 | sing | 1.43Å | 1.47Å | |
| C7 | C12 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | O18 | sing | 1.36Å | 1.41Å | |
| C17 | O20 | sing | 1.36Å | 1.40Å | |
| O18 | C19 | sing | 1.43Å | 1.44Å | |
| O20 | C21 | sing | 1.43Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.59Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | N30 | sing | 1.35Å | 1.29Å | |
| C29 | O36 | doub | 1.21Å | 1.21Å | |
| N30 | C31 | sing | 1.46Å | 1.47Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | C38 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | O34 | sing | 1.34Å | 1.27Å | |
| C33 | O35 | doub | 1.21Å | 1.27Å | |
| C38 | O39 | doub | 1.21Å | 1.27Å | |
| C38 | O40 | sing | 1.34Å | 1.27Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| O40 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C7 | 119.9° | 119.5° |
| C2 | C1 | C11 | 120.7° | 119.9° |
| C1 | C2 | N3 | 120.1° | 119.1° |
| C1 | C2 | C8 | 119.1° | 120.2° |
| C7 | C1 | C11 | 119.3° | 120.5° |
| C1 | C7 | O6 | 112.3° | 110.0° |
| C1 | C7 | C12 | 116.5° | 109.4° |
| C1 | C7 | H7 | 101.6° | 109.4° |
| C1 | C11 | C10 | 118.0° | 119.8° |
| C1 | C11 | H11 | 121.0° | 120.1° |
| CL1 | C10 | C9 | 119.3° | 119.9° |
| CL1 | C10 | C11 | 117.7° | 119.9° |
| N3 | C2 | C8 | 120.8° | 120.7° |
| C2 | N3 | C4 | 117.2° | 118.2° |
| C2 | N3 | C23 | 122.3° | 120.9° |
| C2 | C8 | C9 | 119.5° | 119.7° |
| C2 | C8 | H8 | 120.3° | 120.2° |
| C4 | N3 | C23 | 117.3° | 120.9° |
| N3 | C4 | C5 | 122.3° | 119.8° |
| N3 | C4 | O22 | 119.6° | 120.1° |
| N3 | C23 | C24 | 109.0° | 109.5° |
| N3 | C23 | H23 | 109.6° | 109.5° |
| N3 | C23 | H23A | 109.6° | 109.5° |
| C5 | C4 | O22 | 118.1° | 120.1° |
| C4 | C5 | O6 | 115.7° | 110.6° |
| C4 | C5 | C28 | 117.2° | 109.2° |
| C4 | C5 | H5 | 98.0° | 109.2° |
| O6 | C5 | C28 | 107.5° | 109.3° |
| C5 | O6 | C7 | 116.0° | 114.0° |
| O6 | C5 | H5 | 109.8° | 109.3° |
| C5 | C28 | C29 | 108.0° | 109.5° |
| C28 | C5 | H5 | 108.0° | 109.2° |
| C5 | C28 | H28 | 109.9° | 109.5° |
| C5 | C28 | H28A | 109.9° | 109.5° |
| O6 | C7 | C12 | 107.6° | 109.4° |
| O6 | C7 | H7 | 111.7° | 109.3° |
| C7 | C12 | C13 | 121.0° | 120.0° |
| C7 | C12 | C17 | 118.5° | 120.0° |
| C12 | C7 | H7 | 106.9° | 109.2° |
| C8 | C9 | C10 | 119.6° | 120.0° |
| C9 | C8 | H8 | 120.3° | 120.1° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| C9 | C10 | C11 | 123.0° | 120.3° |
| C10 | C9 | H9 | 120.2° | 120.0° |
| C10 | C11 | H11 | 121.0° | 120.1° |
| C13 | C12 | C17 | 120.5° | 120.0° |
| C12 | C13 | C14 | 118.9° | 120.1° |
| C12 | C13 | H13 | 120.5° | 119.9° |
| C12 | C17 | C16 | 120.3° | 119.9° |
| C12 | C17 | O20 | 120.9° | 120.0° |
| C13 | C14 | C15 | 120.7° | 120.2° |
| C14 | C13 | H13 | 120.6° | 120.0° |
| C13 | C14 | H14 | 119.7° | 119.9° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | H14 | 119.7° | 119.9° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | C17 | 119.6° | 119.8° |
| C15 | C16 | O18 | 117.5° | 120.1° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C17 | C16 | O18 | 122.9° | 120.1° |
| C16 | C17 | O20 | 118.8° | 120.1° |
| C16 | O18 | C19 | 123.0° | 117.0° |
| C17 | O20 | C21 | 120.5° | 117.0° |
| O18 | C19 | H19 | 109.5° | 109.4° |
| O18 | C19 | H19A | 109.5° | 109.5° |
| O18 | C19 | H19B | 109.5° | 109.5° |
| O20 | C21 | H21 | 109.5° | 109.5° |
| O20 | C21 | H21A | 109.5° | 109.5° |
| O20 | C21 | H21B | 109.5° | 109.5° |
| C23 | C24 | C25 | 107.2° | 109.5° |
| C23 | C24 | C26 | 110.2° | 109.4° |
| C23 | C24 | C27 | 115.7° | 109.5° |
| C24 | C23 | H23 | 109.6° | 109.5° |
| C24 | C23 | H23A | 109.6° | 109.5° |
| C25 | C24 | C26 | 110.5° | 109.5° |
| C25 | C24 | C27 | 109.5° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.4° |
| C24 | C25 | H25A | 109.5° | 109.5° |
| C24 | C25 | H25B | 109.5° | 109.4° |
| C26 | C24 | C27 | 103.8° | 109.5° |
| C24 | C26 | H26 | 109.5° | 109.5° |
| C24 | C26 | H26A | 109.4° | 109.4° |
| C24 | C26 | H26B | 109.4° | 109.5° |
| C24 | C27 | H27 | 109.5° | 109.4° |
| C24 | C27 | H27A | 109.5° | 109.5° |
| C24 | C27 | H27B | 109.5° | 109.4° |
| C28 | C29 | N30 | 115.2° | 120.0° |
| C28 | C29 | O36 | 122.7° | 120.0° |
| C29 | C28 | H28 | 110.0° | 109.5° |
| C29 | C28 | H28A | 110.0° | 109.5° |
| N30 | C29 | O36 | 122.0° | 120.0° |
| C29 | N30 | C31 | 118.0° | 120.0° |
| C29 | N30 | HN30 | 121.0° | 120.0° |
| N30 | C31 | C32 | 109.0° | 109.5° |
| N30 | C31 | C38 | 109.0° | 109.4° |
| C31 | N30 | HN30 | 121.0° | 120.0° |
| N30 | C31 | H31 | 110.0° | 109.5° |
| C32 | C31 | C38 | 109.2° | 109.4° |
| C31 | C32 | C33 | 107.1° | 109.4° |
| C32 | C31 | H31 | 109.8° | 109.5° |
| C31 | C32 | H32 | 110.3° | 109.5° |
| C31 | C32 | H32A | 110.3° | 109.5° |
| C31 | C38 | O39 | 114.6° | 120.0° |
| C31 | C38 | O40 | 118.9° | 120.0° |
| C38 | C31 | H31 | 109.8° | 109.5° |
| C32 | C33 | O34 | 122.3° | 120.0° |
| C32 | C33 | O35 | 112.8° | 120.0° |
| C33 | C32 | H32 | 110.3° | 109.5° |
| C33 | C32 | H32A | 110.3° | 109.5° |
| O34 | C33 | O35 | 124.8° | 120.0° |
| C33 | O34 | H34 | 109.5° | 117.0° |
| O39 | C38 | O40 | 126.5° | 120.0° |
| C38 | O40 | H40 | 109.5° | 117.0° |
| H19 | C19 | H19A | 109.4° | 109.4° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.4° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.3° | 109.4° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.4° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.0° | 109.5° |
| H32 | C32 | H32A | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C7 | C11 | 176.3° | 179.7° |
| C1 | C2 | N3 | C8 | 179.8° | 179.9° |
| C1 | C2 | N3 | C4 | 53.3° | 48.1° |
| C1 | C2 | N3 | C23 | 147.5° | 131.9° |
| C2 | C1 | C7 | O6 | 71.2° | 75.0° |
| C2 | C1 | C7 | C12 | 164.0° | 164.8° |
| C1 | C2 | C8 | C9 | 0.4° | 0.3° |
| C2 | C1 | C11 | C10 | 1.7° | 0.2° |
| C2 | C1 | C7 | H7 | 48.3° | 45.1° |
| C1 | C2 | C8 | H8 | 179.6° | 179.7° |
| C2 | C1 | C11 | H11 | 178.4° | 179.7° |
| C7 | C1 | C2 | N3 | 1.4° | 0.9° |
| C7 | C1 | C2 | C8 | 178.8° | 179.3° |
| C1 | C7 | O6 | C5 | 42.7° | 42.9° |
| C1 | C7 | O6 | C12 | 129.6° | 120.2° |
| C1 | C7 | O6 | H7 | 113.4° | 120.2° |
| C1 | C7 | C12 | H7 | 112.8° | 119.8° |
| C7 | C1 | C11 | C10 | 178.0° | 179.5° |
| C1 | C7 | C12 | C13 | 98.1° | 95.0° |
| C1 | C7 | C12 | C17 | 83.8° | 85.3° |
| C7 | C1 | C11 | H11 | 2.0° | 0.6° |
| C1 | C11 | C10 | CL1 | 180.0° | 180.0° |
| C11 | C1 | C2 | N3 | 177.7° | 179.4° |
| C11 | C1 | C2 | C8 | 2.5° | 0.4° |
| C11 | C1 | C7 | O6 | 105.2° | 105.3° |
| C11 | C1 | C7 | C12 | 19.6° | 14.9° |
| C1 | C11 | C10 | C9 | 1.3° | 0.0° |
| C1 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C1 | C7 | H7 | 135.4° | 134.6° |
| CL1 | C10 | C9 | C8 | 178.0° | 179.9° |
| CL1 | C10 | C9 | C11 | 178.6° | 180.0° |
| CL1 | C10 | C9 | H9 | 2.0° | 0.1° |
| CL1 | C10 | C11 | H11 | 0.0° | 0.1° |
| C2 | N3 | C4 | C23 | 160.2° | 180.0° |
| C2 | N3 | C4 | C5 | 7.5° | 3.3° |
| C2 | N3 | C4 | O22 | 172.6° | 176.7° |
| N3 | C2 | C8 | C9 | 179.8° | 179.5° |
| C2 | N3 | C23 | C24 | 93.1° | 90.0° |
| N3 | C2 | C8 | H8 | 0.2° | 0.4° |
| C2 | N3 | C23 | H23 | 146.9° | 150.0° |
| C2 | N3 | C23 | H23A | 26.9° | 30.0° |
| C8 | C2 | N3 | C4 | 126.8° | 131.7° |
| C8 | C2 | N3 | C23 | 32.3° | 48.2° |
| C2 | C8 | C9 | H8 | 180.0° | 180.0° |
| C2 | C8 | C9 | C10 | 2.5° | 0.0° |
| C2 | C8 | C9 | H9 | 177.5° | 180.0° |
| N3 | C4 | C5 | O22 | 179.9° | 180.0° |
| N3 | C4 | C5 | O6 | 64.7° | 78.0° |
| N3 | C4 | C5 | C28 | 166.9° | 161.7° |
| C4 | N3 | C23 | C24 | 107.8° | 90.0° |
| N3 | C4 | C5 | H5 | 51.9° | 42.3° |
| C4 | N3 | C23 | H23 | 12.2° | 30.0° |
| C4 | N3 | C23 | H23A | 132.2° | 149.9° |
| C23 | N3 | C4 | C5 | 167.7° | 176.7° |
| C23 | N3 | C4 | O22 | 12.4° | 3.4° |
| N3 | C23 | C24 | H23 | 120.0° | 120.0° |
| N3 | C23 | C24 | H23A | 120.0° | 120.0° |
| N3 | C23 | C24 | C25 | 178.9° | 60.0° |
| N3 | C23 | C24 | C26 | 58.6° | 180.0° |
| N3 | C23 | C24 | C27 | 58.6° | 60.0° |
| N3 | C23 | H23 | H23A | 120.2° | 120.0° |
| C4 | C5 | O6 | C28 | 133.1° | 120.3° |
| C4 | C5 | O6 | H5 | 109.7° | 120.3° |
| C4 | C5 | C28 | H5 | 109.3° | 119.4° |
| C4 | C5 | O6 | C7 | 39.0° | 43.2° |
| C4 | C5 | C28 | C29 | 68.5° | 175.0° |
| C4 | C5 | C28 | H28 | 51.5° | 55.0° |
| C4 | C5 | C28 | H28A | 171.4° | 65.0° |
| O22 | C4 | C5 | O6 | 115.2° | 102.0° |
| O22 | C4 | C5 | C28 | 13.2° | 18.3° |
| O22 | C4 | C5 | H5 | 128.2° | 137.7° |
| O6 | C5 | C28 | H5 | 118.3° | 119.5° |
| C5 | O6 | C7 | C12 | 172.3° | 163.1° |
| O6 | C5 | C28 | C29 | 159.2° | 63.9° |
| C5 | O6 | C7 | H7 | 70.7° | 77.3° |
| O6 | C5 | C28 | H28 | 80.8° | 176.1° |
| O6 | C5 | C28 | H28A | 39.1° | 56.1° |
| C28 | C5 | O6 | C7 | 172.1° | 163.5° |
| C5 | C28 | C29 | H28 | 120.0° | 120.0° |
| C5 | C28 | C29 | H28A | 120.0° | 120.0° |
| C5 | C28 | C29 | N30 | 168.1° | 179.9° |
| C5 | C28 | C29 | O36 | 8.4° | 0.0° |
| C5 | C28 | H28 | H28A | 120.5° | 120.0° |
| O6 | C7 | C12 | H7 | 120.1° | 119.6° |
| O6 | C7 | C12 | C13 | 29.0° | 25.6° |
| O6 | C7 | C12 | C17 | 149.1° | 154.1° |
| C7 | O6 | C5 | H5 | 70.7° | 77.1° |
| C7 | C12 | C13 | C17 | 178.1° | 179.7° |
| C7 | C12 | C13 | C14 | 179.1° | 180.0° |
| C7 | C12 | C17 | C16 | 179.6° | 179.7° |
| C7 | C12 | C17 | O20 | 2.6° | 0.0° |
| C7 | C12 | C13 | H13 | 0.9° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 3.4° | 0.1° |
| C10 | C9 | C8 | H8 | 177.5° | 180.0° |
| C9 | C10 | C11 | H11 | 178.7° | 180.0° |
| C11 | C10 | C9 | H9 | 176.6° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.8° | 0.0° |
| C13 | C12 | C17 | C16 | 1.5° | 0.6° |
| C13 | C12 | C17 | O20 | 179.3° | 179.8° |
| C13 | C12 | C7 | H7 | 149.1° | 145.3° |
| C12 | C13 | C14 | H14 | 179.2° | 180.0° |
| C17 | C12 | C13 | C14 | 1.0° | 0.3° |
| C12 | C17 | C16 | C15 | 1.7° | 0.6° |
| C12 | C17 | C16 | O20 | 177.8° | 179.7° |
| C12 | C17 | C16 | O18 | 179.4° | 179.7° |
| C12 | C17 | O20 | C21 | 127.1° | 90.0° |
| C17 | C12 | C7 | H7 | 29.0° | 34.5° |
| C17 | C12 | C13 | H13 | 179.0° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.5° | 0.3° |
| C14 | C15 | C16 | O18 | 179.6° | 180.0° |
| C15 | C14 | C13 | H13 | 179.2° | 179.9° |
| C15 | C16 | C17 | O18 | 178.9° | 179.7° |
| C15 | C16 | C17 | O20 | 179.5° | 179.8° |
| C15 | C16 | O18 | C19 | 0.4° | 0.0° |
| C16 | C15 | C14 | H14 | 179.0° | 180.0° |
| C17 | C16 | O18 | C19 | 178.6° | 179.7° |
| C16 | C17 | O20 | C21 | 55.1° | 89.7° |
| C17 | C16 | C15 | H15 | 178.5° | 179.7° |
| O18 | C16 | C17 | O20 | 1.6° | 0.0° |
| O18 | C16 | C15 | H15 | 0.4° | 0.0° |
| C16 | O18 | C19 | H19 | 180.0° | 179.9° |
| C16 | O18 | C19 | H19A | 60.0° | 60.0° |
| C16 | O18 | C19 | H19B | 60.0° | 60.0° |
| C17 | O20 | C21 | H21 | 180.0° | 60.0° |
| C17 | O20 | C21 | H21A | 60.0° | 59.9° |
| C17 | O20 | C21 | H21B | 60.0° | 180.0° |
| O18 | C19 | H19 | H19A | 120.0° | 120.0° |
| O18 | C19 | H19 | H19B | 120.0° | 120.0° |
| O18 | C19 | H19A | H19B | 120.0° | 120.0° |
| O20 | C21 | H21 | H21A | 120.0° | 120.0° |
| O20 | C21 | H21 | H21B | 120.0° | 120.0° |
| O20 | C21 | H21A | H21B | 120.0° | 120.1° |
| C23 | C24 | C25 | C26 | 120.1° | 120.0° |
| C23 | C24 | C25 | C27 | 126.2° | 120.0° |
| C23 | C24 | C26 | C27 | 124.4° | 120.0° |
| C24 | C23 | H23 | H23A | 120.2° | 120.0° |
| C23 | C24 | C25 | H25 | 180.0° | 60.0° |
| C23 | C24 | C25 | H25A | 60.0° | 180.0° |
| C23 | C24 | C25 | H25B | 60.0° | 60.0° |
| C23 | C24 | C26 | H26 | 180.0° | 60.0° |
| C23 | C24 | C26 | H26A | 60.0° | 180.0° |
| C23 | C24 | C26 | H26B | 60.0° | 60.0° |
| C23 | C24 | C27 | H27 | 180.0° | 60.0° |
| C23 | C24 | C27 | H27A | 60.0° | 179.9° |
| C23 | C24 | C27 | H27B | 60.0° | 59.9° |
| C25 | C24 | C26 | C27 | 117.3° | 120.0° |
| C25 | C24 | C23 | H23 | 58.9° | 60.0° |
| C25 | C24 | C23 | H23A | 61.1° | 180.0° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25B | 120.0° | 119.9° |
| C24 | C25 | H25A | H25B | 120.0° | 120.0° |
| C25 | C24 | C26 | H26 | 61.7° | 180.0° |
| C25 | C24 | C26 | H26A | 178.3° | 60.0° |
| C25 | C24 | C26 | H26B | 58.3° | 60.0° |
| C25 | C24 | C27 | H27 | 58.8° | 60.1° |
| C25 | C24 | C27 | H27A | 61.2° | 60.0° |
| C25 | C24 | C27 | H27B | 178.8° | 180.0° |
| C26 | C24 | C23 | H23 | 61.4° | 60.0° |
| C26 | C24 | C23 | H23A | 178.6° | 60.0° |
| C26 | C24 | C25 | H25 | 59.9° | 60.0° |
| C26 | C24 | C25 | H25A | 60.1° | 60.0° |
| C26 | C24 | C25 | H25B | 179.9° | 180.0° |
| C24 | C26 | H26 | H26A | 120.0° | 120.0° |
| C24 | C26 | H26 | H26B | 120.0° | 120.0° |
| C24 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C24 | C27 | H27 | 59.2° | 180.0° |
| C26 | C24 | C27 | H27A | 179.2° | 60.0° |
| C26 | C24 | C27 | H27B | 60.8° | 60.0° |
| C27 | C24 | C23 | H23 | 178.6° | 180.0° |
| C27 | C24 | C23 | H23A | 61.4° | 60.0° |
| C27 | C24 | C25 | H25 | 53.8° | 180.0° |
| C27 | C24 | C25 | H25A | 173.8° | 59.9° |
| C27 | C24 | C25 | H25B | 66.2° | 60.1° |
| C27 | C24 | C26 | H26 | 55.6° | 60.0° |
| C27 | C24 | C26 | H26A | 64.4° | 60.0° |
| C27 | C24 | C26 | H26B | 175.6° | 180.0° |
| C24 | C27 | H27 | H27A | 120.0° | 120.0° |
| C24 | C27 | H27 | H27B | 120.0° | 119.9° |
| C24 | C27 | H27A | H27B | 120.0° | 120.0° |
| C28 | C29 | N30 | O36 | 176.5° | 179.9° |
| C28 | C29 | N30 | C31 | 150.6° | 180.0° |
| C29 | C28 | C5 | H5 | 40.8° | 55.6° |
| C29 | C28 | H28 | H28A | 120.6° | 120.0° |
| C28 | C29 | N30 | HN30 | 29.4° | 0.1° |
| C29 | N30 | C31 | HN30 | 180.0° | 179.9° |
| C29 | N30 | C31 | C32 | 131.7° | 155.0° |
| C29 | N30 | C31 | C38 | 109.2° | 85.1° |
| N30 | C29 | C28 | H28 | 48.1° | 60.0° |
| N30 | C29 | C28 | H28A | 71.9° | 60.0° |
| C29 | N30 | C31 | H31 | 11.2° | 34.9° |
| O36 | C29 | N30 | C31 | 25.9° | 0.1° |
| O36 | C29 | C28 | H28 | 128.4° | 120.0° |
| O36 | C29 | C28 | H28A | 111.6° | 120.0° |
| O36 | C29 | N30 | HN30 | 154.1° | 180.0° |
| N30 | C31 | C32 | C38 | 119.0° | 119.9° |
| N30 | C31 | C32 | H31 | 120.6° | 120.1° |
| N30 | C31 | C38 | H31 | 120.6° | 120.1° |
| N30 | C31 | C32 | C33 | 114.6° | 65.1° |
| N30 | C31 | C38 | O39 | 127.9° | 0.0° |
| N30 | C31 | C38 | O40 | 52.4° | 180.0° |
| N30 | C31 | C32 | H32 | 5.4° | 54.9° |
| N30 | C31 | C32 | H32A | 125.4° | 175.0° |
| C32 | C31 | C38 | H31 | 120.5° | 120.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.0° | 119.9° |
| C31 | C32 | C33 | O34 | 153.0° | 180.0° |
| C31 | C32 | C33 | O35 | 26.1° | 0.0° |
| C32 | C31 | C38 | O39 | 113.2° | 120.0° |
| C32 | C31 | C38 | O40 | 66.5° | 60.0° |
| C32 | C31 | N30 | HN30 | 48.3° | 24.9° |
| C31 | C32 | H32 | H32A | 120.9° | 120.0° |
| C38 | C31 | C32 | C33 | 126.4° | 175.0° |
| C31 | C38 | O39 | O40 | 179.7° | 180.0° |
| C38 | C31 | N30 | HN30 | 70.8° | 95.0° |
| C38 | C31 | C32 | H32 | 113.6° | 65.0° |
| C38 | C31 | C32 | H32A | 6.4° | 55.1° |
| C31 | C38 | O40 | H40 | 179.6° | 180.0° |
| C32 | C33 | O34 | O35 | 179.0° | 180.0° |
| C33 | C32 | C31 | H31 | 5.9° | 55.0° |
| C33 | C32 | H32 | H32A | 121.0° | 120.0° |
| C32 | C33 | O34 | H34 | 179.0° | 180.0° |
| O34 | C33 | C32 | H32 | 33.0° | 60.0° |
| O34 | C33 | C32 | H32A | 87.0° | 60.0° |
| O35 | C33 | C32 | H32 | 146.1° | 120.0° |
| O35 | C33 | C32 | H32A | 93.9° | 120.0° |
| O35 | C33 | O34 | H34 | 0.0° | 0.0° |
| O39 | C38 | C31 | H31 | 7.3° | 120.0° |
| O39 | C38 | O40 | H40 | 0.0° | 0.0° |
| O40 | C38 | C31 | H31 | 173.0° | 60.0° |
| H5 | C5 | C28 | H28 | 160.8° | 64.4° |
| H5 | C5 | C28 | H28A | 79.2° | 175.6° |
| H8 | C8 | C9 | H9 | 2.5° | 0.0° |
| H13 | C13 | C14 | H14 | 0.8° | 0.1° |
| H14 | C14 | C15 | H15 | 1.0° | 0.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 119.9° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| HN30 | N30 | C31 | H31 | 168.8° | 145.0° |
| H31 | C31 | C32 | H32 | 126.0° | 175.0° |
| H31 | C31 | C32 | H32A | 114.1° | 65.0° |
