EEF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C8 | doub | 1.21Å | 1.18Å | |
| C8 | O6 | sing | 1.34Å | 1.39Å | |
| C8 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C14 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.35Å | 1.46Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C14 | C18 | sing | 1.51Å | 1.55Å | |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C31 | C18 | doub | 1.38Å | 1.51Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.53Å | |
| C30 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.44Å | Aromatic |
| C23 | C19 | sing | 1.39Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.46Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.53Å | |
| C9 | O1 | doub | 1.21Å | 1.20Å | |
| C9 | N2 | sing | 1.35Å | 1.45Å | |
| C22 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.49Å | Aromatic |
| N2 | C10 | sing | 1.46Å | 1.45Å | |
| O5 | C13 | doub | 1.21Å | 1.19Å | |
| C27 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| C13 | N3 | sing | 1.35Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C32 | sing | 1.51Å | 1.54Å | |
| O34 | C32 | doub | 1.21Å | 1.18Å | |
| C32 | O33 | sing | 1.34Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| O33 | H27 | sing | 0.97Å | 0.95Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C8 | O6 | 117.8° | 120.0° |
| O7 | C8 | C5 | 120.2° | 120.0° |
| O6 | C8 | C5 | 118.2° | 120.0° |
| C8 | O6 | H10 | 109.5° | 117.0° |
| C8 | C5 | C4 | 115.4° | 109.4° |
| C8 | C5 | H9 | 108.0° | 109.5° |
| C8 | C5 | H29 | 108.0° | 109.5° |
| C5 | C4 | C3 | 118.3° | 109.4° |
| C5 | C4 | H8 | 107.2° | 109.5° |
| C4 | C5 | H9 | 108.0° | 109.4° |
| C5 | C4 | H28 | 107.2° | 109.5° |
| C4 | C5 | H29 | 108.0° | 109.5° |
| C2 | C1 | C14 | 112.7° | 109.5° |
| C1 | C2 | N1 | 116.7° | 120.0° |
| C1 | C2 | O2 | 120.2° | 120.0° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.7° | 109.5° |
| C1 | C14 | C18 | 117.3° | 109.5° |
| C14 | C1 | H1 | 108.7° | 109.4° |
| C14 | C1 | H2 | 108.6° | 109.5° |
| C1 | C14 | H16 | 107.5° | 109.4° |
| C1 | C14 | H17 | 107.5° | 109.4° |
| N1 | C2 | O2 | 123.0° | 120.1° |
| C2 | N1 | C3 | 119.1° | 120.0° |
| C2 | N1 | H3 | 120.4° | 120.0° |
| C14 | C18 | C31 | 120.7° | 119.9° |
| C14 | C18 | C15 | 118.3° | 119.9° |
| C18 | C14 | H16 | 107.5° | 109.5° |
| C18 | C14 | H17 | 107.5° | 109.5° |
| N1 | C3 | C4 | 111.5° | 109.5° |
| N1 | C3 | C9 | 108.3° | 109.5° |
| C3 | N1 | H3 | 120.4° | 120.0° |
| N1 | C3 | H5 | 110.0° | 109.5° |
| C4 | C3 | C9 | 108.6° | 109.4° |
| C4 | C3 | H5 | 109.1° | 109.5° |
| C3 | C4 | H8 | 107.2° | 109.4° |
| C3 | C4 | H28 | 107.2° | 109.5° |
| C18 | C31 | C30 | 118.1° | 120.1° |
| C31 | C18 | C15 | 120.9° | 120.2° |
| C18 | C31 | H26 | 121.0° | 120.0° |
| C31 | C30 | C17 | 120.3° | 119.9° |
| C31 | C30 | H25 | 119.9° | 120.1° |
| C30 | C31 | H26 | 120.9° | 119.9° |
| C18 | C15 | C16 | 121.0° | 120.1° |
| C18 | C15 | H18 | 119.5° | 120.0° |
| C3 | C9 | O1 | 119.6° | 120.0° |
| C3 | C9 | N2 | 118.1° | 120.0° |
| C9 | C3 | H5 | 109.3° | 109.4° |
| C30 | C17 | C16 | 121.5° | 119.8° |
| C30 | C17 | C19 | 120.4° | 120.1° |
| C17 | C30 | H25 | 119.8° | 120.1° |
| C15 | C16 | C17 | 118.1° | 119.8° |
| C16 | C15 | H18 | 119.5° | 119.9° |
| C15 | C16 | H19 | 120.9° | 120.0° |
| C22 | C23 | C19 | 118.7° | 119.9° |
| C23 | C22 | C27 | 120.9° | 120.1° |
| C23 | C22 | H22 | 119.5° | 120.0° |
| C22 | C23 | H23 | 120.6° | 120.1° |
| C23 | C19 | C17 | 120.0° | 120.1° |
| C23 | C19 | C20 | 121.1° | 119.8° |
| C19 | C23 | H23 | 120.7° | 120.0° |
| C16 | C17 | C19 | 118.1° | 120.1° |
| C17 | C16 | H19 | 121.0° | 120.1° |
| C17 | C19 | C20 | 118.9° | 120.1° |
| O1 | C9 | N2 | 120.6° | 120.0° |
| C9 | N2 | C10 | 116.8° | 120.0° |
| C9 | N2 | H4 | 121.6° | 120.0° |
| C22 | C27 | C21 | 120.1° | 120.2° |
| C27 | C22 | H22 | 119.5° | 119.9° |
| C22 | C27 | H24 | 119.9° | 119.9° |
| C19 | C20 | C21 | 120.1° | 119.9° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| N2 | C10 | C13 | 110.7° | 109.5° |
| N2 | C10 | C11 | 115.2° | 109.5° |
| C10 | N2 | H4 | 121.6° | 120.0° |
| N2 | C10 | H11 | 106.9° | 109.5° |
| O5 | C13 | C10 | 120.6° | 119.9° |
| O5 | C13 | N3 | 122.5° | 120.0° |
| C27 | C21 | C20 | 119.0° | 120.2° |
| C27 | C21 | H21 | 120.5° | 119.9° |
| C21 | C27 | H24 | 119.9° | 119.9° |
| C21 | C20 | H20 | 119.9° | 120.1° |
| C20 | C21 | H21 | 120.5° | 119.9° |
| C10 | C13 | N3 | 116.9° | 120.0° |
| C13 | C10 | C11 | 111.3° | 109.4° |
| C13 | C10 | H11 | 106.1° | 109.4° |
| C13 | N3 | H6 | 120.0° | 119.9° |
| C13 | N3 | H7 | 120.0° | 120.0° |
| C10 | C11 | C12 | 116.8° | 109.5° |
| C11 | C10 | H11 | 106.0° | 109.4° |
| C10 | C11 | H12 | 107.6° | 109.4° |
| C10 | C11 | H13 | 107.6° | 109.5° |
| C11 | C12 | C32 | 120.4° | 109.5° |
| C12 | C11 | H12 | 107.6° | 109.4° |
| C12 | C11 | H13 | 107.6° | 109.5° |
| C11 | C12 | H14 | 106.7° | 109.4° |
| C11 | C12 | H15 | 106.7° | 109.5° |
| C12 | C32 | O34 | 119.9° | 120.0° |
| C12 | C32 | O33 | 119.9° | 120.0° |
| C32 | C12 | H14 | 106.7° | 109.5° |
| C32 | C12 | H15 | 106.7° | 109.5° |
| O34 | C32 | O33 | 118.9° | 120.0° |
| C32 | O33 | H27 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | N3 | H7 | 120.0° | 120.1° |
| H8 | C4 | H28 | 109.5° | 109.5° |
| H9 | C5 | H29 | 109.4° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C8 | O6 | C5 | 158.0° | 180.0° |
| O7 | C8 | C5 | C4 | 92.9° | 0.0° |
| O7 | C8 | C5 | H9 | 27.9° | 120.0° |
| O7 | C8 | O6 | H10 | 0.0° | 0.0° |
| O7 | C8 | C5 | H29 | 146.2° | 119.9° |
| O6 | C8 | C5 | C4 | 109.5° | 180.0° |
| O6 | C8 | C5 | H9 | 129.6° | 60.1° |
| O6 | C8 | C5 | H29 | 11.3° | 60.0° |
| C8 | C5 | C4 | H9 | 120.9° | 120.0° |
| C8 | C5 | C4 | H29 | 120.9° | 120.0° |
| C8 | C5 | C4 | C3 | 172.7° | 180.0° |
| C8 | C5 | C4 | H8 | 66.1° | 60.1° |
| C8 | C5 | H9 | H29 | 117.3° | 120.1° |
| C5 | C8 | O6 | H10 | 158.1° | 179.9° |
| C8 | C5 | C4 | H28 | 51.4° | 60.0° |
| C5 | C4 | C3 | N1 | 70.4° | 65.0° |
| C5 | C4 | C3 | H8 | 121.2° | 120.0° |
| C5 | C4 | C3 | H28 | 121.3° | 120.0° |
| C5 | C4 | C3 | C9 | 170.3° | 175.0° |
| C5 | C4 | C3 | H5 | 51.4° | 55.0° |
| C5 | C4 | H8 | H28 | 116.0° | 120.0° |
| C4 | C5 | H9 | H29 | 117.3° | 120.0° |
| C2 | C1 | C14 | H1 | 120.5° | 120.0° |
| C2 | C1 | C14 | H2 | 120.4° | 120.1° |
| C1 | C2 | N1 | O2 | 176.1° | 180.0° |
| C2 | C1 | C14 | C18 | 101.5° | 180.0° |
| C1 | C2 | N1 | C3 | 176.1° | 180.0° |
| C2 | C1 | H1 | H2 | 118.5° | 120.0° |
| C1 | C2 | N1 | H3 | 4.0° | 0.1° |
| C2 | C1 | C14 | H16 | 137.4° | 60.0° |
| C2 | C1 | C14 | H17 | 19.7° | 60.0° |
| C14 | C1 | C2 | N1 | 122.5° | 180.0° |
| C14 | C1 | C2 | O2 | 53.7° | 0.0° |
| C1 | C14 | C18 | H16 | 121.1° | 119.9° |
| C1 | C14 | C18 | H17 | 121.1° | 120.0° |
| C1 | C14 | C18 | C31 | 16.5° | 90.1° |
| C1 | C14 | C18 | C15 | 165.8° | 90.0° |
| C14 | C1 | H1 | H2 | 118.5° | 120.0° |
| C1 | C14 | H16 | H17 | 116.5° | 119.9° |
| C2 | N1 | C3 | H3 | 180.0° | 179.9° |
| C2 | N1 | C3 | C4 | 134.6° | 85.1° |
| C2 | N1 | C3 | C9 | 106.0° | 155.0° |
| N1 | C2 | C1 | H1 | 2.0° | 60.1° |
| N1 | C2 | C1 | H2 | 117.0° | 60.0° |
| C2 | N1 | C3 | H5 | 13.5° | 35.0° |
| O2 | C2 | N1 | C3 | 0.1° | 0.0° |
| O2 | C2 | C1 | H1 | 174.2° | 120.0° |
| O2 | C2 | C1 | H2 | 66.8° | 120.0° |
| O2 | C2 | N1 | H3 | 179.9° | 180.0° |
| C14 | C18 | C31 | C15 | 177.7° | 180.0° |
| C14 | C18 | C31 | C30 | 177.3° | 179.5° |
| C14 | C18 | C15 | C16 | 177.2° | 180.0° |
| C18 | C14 | C1 | H1 | 19.0° | 60.0° |
| C18 | C14 | C1 | H2 | 138.1° | 59.9° |
| C18 | C14 | H16 | H17 | 116.4° | 120.1° |
| C14 | C18 | C15 | H18 | 2.8° | 0.3° |
| C14 | C18 | C31 | H26 | 2.7° | 0.0° |
| N1 | C3 | C4 | C9 | 119.3° | 120.0° |
| N1 | C3 | C4 | H5 | 121.7° | 120.0° |
| N1 | C3 | C9 | H5 | 119.9° | 120.0° |
| N1 | C3 | C9 | O1 | 36.0° | 0.0° |
| N1 | C3 | C9 | N2 | 158.6° | 180.0° |
| N1 | C3 | C4 | H8 | 168.4° | 54.9° |
| N1 | C3 | C4 | H28 | 50.9° | 175.0° |
| C4 | C3 | C9 | H5 | 118.8° | 120.0° |
| C4 | C3 | C9 | O1 | 85.3° | 120.0° |
| C4 | C3 | C9 | N2 | 80.2° | 60.0° |
| C4 | C3 | N1 | H3 | 45.4° | 95.0° |
| C3 | C4 | H8 | H28 | 116.0° | 120.0° |
| C3 | C4 | C5 | H9 | 51.8° | 60.0° |
| C3 | C4 | C5 | H29 | 66.4° | 60.0° |
| C18 | C31 | C30 | H26 | 180.0° | 179.5° |
| C18 | C31 | C30 | C17 | 0.1° | 0.8° |
| C31 | C18 | C15 | C16 | 0.5° | 0.1° |
| C31 | C18 | C14 | H16 | 104.7° | 150.0° |
| C31 | C18 | C14 | H17 | 137.6° | 29.9° |
| C31 | C18 | C15 | H18 | 179.5° | 179.7° |
| C18 | C31 | C30 | H25 | 179.9° | 179.7° |
| C30 | C31 | C18 | C15 | 0.4° | 0.6° |
| C31 | C30 | C17 | H25 | 180.0° | 179.5° |
| C31 | C30 | C17 | C16 | 0.0° | 0.4° |
| C31 | C30 | C17 | C19 | 179.9° | 179.4° |
| C18 | C15 | C16 | H18 | 180.0° | 179.7° |
| C18 | C15 | C16 | C17 | 0.4° | 0.3° |
| C15 | C18 | C14 | H16 | 73.1° | 30.0° |
| C15 | C18 | C14 | H17 | 44.7° | 150.0° |
| C18 | C15 | C16 | H19 | 179.6° | 179.7° |
| C15 | C18 | C31 | H26 | 179.6° | 179.9° |
| C3 | C9 | O1 | N2 | 165.1° | 180.0° |
| C3 | C9 | N2 | C10 | 171.5° | 180.0° |
| C9 | C3 | N1 | H3 | 74.1° | 25.0° |
| C3 | C9 | N2 | H4 | 8.4° | 0.0° |
| C9 | C3 | C4 | H8 | 49.1° | 65.1° |
| C9 | C3 | C4 | H28 | 68.4° | 55.0° |
| C30 | C17 | C16 | C15 | 0.2° | 0.1° |
| C30 | C17 | C19 | C23 | 32.9° | 179.8° |
| C30 | C17 | C16 | C19 | 179.8° | 179.9° |
| C30 | C17 | C19 | C20 | 147.5° | 0.1° |
| C30 | C17 | C16 | H19 | 179.8° | 179.9° |
| C17 | C30 | C31 | H26 | 179.9° | 179.7° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C19 | 180.0° | 179.9° |
| C22 | C23 | C19 | H23 | 180.0° | 180.0° |
| C22 | C23 | C19 | C17 | 179.4° | 180.0° |
| C23 | C22 | C27 | H22 | 180.0° | 179.8° |
| C22 | C23 | C19 | C20 | 0.2° | 0.3° |
| C23 | C22 | C27 | C21 | 0.8° | 0.2° |
| C23 | C22 | C27 | H24 | 179.2° | 179.9° |
| C23 | C19 | C17 | C16 | 147.0° | 0.3° |
| C23 | C19 | C17 | C20 | 179.6° | 179.7° |
| C19 | C23 | C22 | C27 | 0.4° | 0.1° |
| C23 | C19 | C20 | C21 | 0.3° | 0.3° |
| C23 | C19 | C20 | H20 | 179.7° | 179.7° |
| C19 | C23 | C22 | H22 | 179.6° | 179.7° |
| C16 | C17 | C19 | C20 | 32.6° | 180.0° |
| C17 | C16 | C15 | H18 | 179.6° | 180.0° |
| C16 | C17 | C30 | H25 | 180.0° | 180.0° |
| C17 | C19 | C20 | C21 | 179.3° | 180.0° |
| C19 | C17 | C16 | H19 | 0.0° | 0.1° |
| C17 | C19 | C20 | H20 | 0.7° | 0.0° |
| C17 | C19 | C23 | H23 | 0.6° | 0.0° |
| C19 | C17 | C30 | H25 | 0.1° | 0.1° |
| O1 | C9 | N2 | C10 | 6.2° | 0.0° |
| O1 | C9 | N2 | H4 | 173.7° | 180.0° |
| O1 | C9 | C3 | H5 | 155.9° | 120.0° |
| C9 | N2 | C10 | H4 | 180.0° | 179.9° |
| C9 | N2 | C10 | C13 | 65.5° | 85.0° |
| C9 | N2 | C10 | C11 | 167.1° | 155.0° |
| N2 | C9 | C3 | H5 | 38.7° | 60.0° |
| C9 | N2 | C10 | H11 | 49.7° | 35.0° |
| C22 | C27 | C21 | H24 | 180.0° | 179.9° |
| C22 | C27 | C21 | C20 | 0.7° | 0.2° |
| C22 | C27 | C21 | H21 | 179.3° | 179.8° |
| C27 | C22 | C23 | H23 | 179.6° | 180.0° |
| C19 | C20 | C21 | C27 | 0.2° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| C20 | C19 | C23 | H23 | 179.8° | 179.7° |
| N2 | C10 | C13 | O5 | 38.7° | 0.0° |
| N2 | C10 | C13 | C11 | 129.5° | 120.0° |
| N2 | C10 | C13 | H11 | 115.6° | 120.0° |
| N2 | C10 | C13 | N3 | 144.0° | 180.0° |
| N2 | C10 | C11 | H11 | 118.0° | 120.0° |
| N2 | C10 | C11 | C12 | 120.5° | 65.0° |
| N2 | C10 | C11 | H12 | 0.6° | 55.0° |
| N2 | C10 | C11 | H13 | 118.5° | 175.0° |
| O5 | C13 | C10 | N3 | 177.3° | 180.0° |
| O5 | C13 | C10 | C11 | 90.8° | 120.0° |
| O5 | C13 | N3 | H6 | 0.0° | 180.0° |
| O5 | C13 | N3 | H7 | 180.0° | 0.0° |
| O5 | C13 | C10 | H11 | 154.3° | 120.0° |
| C27 | C21 | C20 | H21 | 180.0° | 180.0° |
| C27 | C21 | C20 | H20 | 179.8° | 180.0° |
| C21 | C27 | C22 | H22 | 179.2° | 180.0° |
| C20 | C21 | C27 | H24 | 179.3° | 179.9° |
| C13 | C10 | C11 | H11 | 114.9° | 119.9° |
| C13 | C10 | C11 | C12 | 112.4° | 175.0° |
| C13 | C10 | N2 | H4 | 114.5° | 94.9° |
| C10 | C13 | N3 | H6 | 177.2° | 0.0° |
| C10 | C13 | N3 | H7 | 2.8° | 180.0° |
| C13 | C10 | C11 | H12 | 126.5° | 65.1° |
| C13 | C10 | C11 | H13 | 8.6° | 55.0° |
| N3 | C13 | C10 | C11 | 86.4° | 60.0° |
| C13 | N3 | H6 | H7 | 180.0° | 180.0° |
| N3 | C13 | C10 | H11 | 28.4° | 60.0° |
| C10 | C11 | C12 | H12 | 121.1° | 119.9° |
| C10 | C11 | C12 | H13 | 121.1° | 120.0° |
| C10 | C11 | C12 | C32 | 77.0° | 180.0° |
| C11 | C10 | N2 | H4 | 12.9° | 25.1° |
| C10 | C11 | H12 | H13 | 116.6° | 120.0° |
| C10 | C11 | C12 | H14 | 44.6° | 60.0° |
| C10 | C11 | C12 | H15 | 161.5° | 60.0° |
| C11 | C12 | C32 | H14 | 121.5° | 120.0° |
| C11 | C12 | C32 | H15 | 121.5° | 120.0° |
| C11 | C12 | C32 | O34 | 13.6° | 0.0° |
| C11 | C12 | C32 | O33 | 179.6° | 180.0° |
| C12 | C11 | C10 | H11 | 2.5° | 55.1° |
| C12 | C11 | H12 | H13 | 116.7° | 120.0° |
| C11 | C12 | H14 | H15 | 115.0° | 120.0° |
| C12 | C32 | O34 | O33 | 166.9° | 180.0° |
| C32 | C12 | C11 | H12 | 162.0° | 60.0° |
| C32 | C12 | C11 | H13 | 44.1° | 60.0° |
| C32 | C12 | H14 | H15 | 115.1° | 120.0° |
| C12 | C32 | O33 | H27 | 166.9° | 180.0° |
| O34 | C32 | C12 | H14 | 135.2° | 120.0° |
| O34 | C32 | C12 | H15 | 107.9° | 120.0° |
| O34 | C32 | O33 | H27 | 0.0° | 0.0° |
| O33 | C32 | C12 | H14 | 58.0° | 60.0° |
| O33 | C32 | C12 | H15 | 58.9° | 60.0° |
| H1 | C1 | C14 | H16 | 102.1° | 180.0° |
| H1 | C1 | C14 | H17 | 140.1° | 60.0° |
| H2 | C1 | C14 | H16 | 17.0° | 60.0° |
| H2 | C1 | C14 | H17 | 100.8° | 180.0° |
| H3 | N1 | C3 | H5 | 166.5° | 145.0° |
| H4 | N2 | C10 | H11 | 130.4° | 145.0° |
| H5 | C3 | C4 | H8 | 69.9° | 175.0° |
| H5 | C3 | C4 | H28 | 172.6° | 65.0° |
| H8 | C4 | C5 | H9 | 173.0° | 180.0° |
| H8 | C4 | C5 | H29 | 54.8° | 59.9° |
| H9 | C5 | C4 | H28 | 69.5° | 60.0° |
| H11 | C10 | C11 | H12 | 118.6° | 175.0° |
| H11 | C10 | C11 | H13 | 123.6° | 64.9° |
| H12 | C11 | C12 | H14 | 76.5° | 179.9° |
| H12 | C11 | C12 | H15 | 40.4° | 60.0° |
| H13 | C11 | C12 | H14 | 165.6° | 60.0° |
| H13 | C11 | C12 | H15 | 77.4° | 180.0° |
| H18 | C15 | C16 | H19 | 0.4° | 0.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.0° |
| H21 | C21 | C27 | H24 | 0.7° | 0.1° |
| H22 | C22 | C23 | H23 | 0.4° | 0.3° |
| H22 | C22 | C27 | H24 | 0.8° | 0.2° |
| H25 | C30 | C31 | H26 | 0.1° | 0.2° |
| H28 | C4 | C5 | H29 | 172.3° | 180.0° |
