QQM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F36 | C07 | sing | 1.35Å | 1.40Å | |
| C31 | O06 | sing | 1.43Å | 1.50Å | |
| N08 | C25 | doub | 1.32Å | 1.49Å | Aromatic |
| N08 | C21 | sing | 1.33Å | 1.50Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.52Å | Aromatic |
| O06 | C28 | sing | 1.36Å | 1.44Å | |
| C10 | C07 | doub | 1.39Å | 1.53Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.53Å | Aromatic |
| C07 | C04 | sing | 1.39Å | 1.54Å | Aromatic |
| N11 | C21 | sing | 1.39Å | 1.53Å | |
| N11 | C29 | sing | 1.40Å | 1.45Å | |
| C21 | C22 | doub | 1.39Å | 1.52Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.50Å | Aromatic |
| C12 | C14 | doub | 1.39Å | 1.53Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.55Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.54Å | Aromatic |
| C04 | C01 | doub | 1.38Å | 1.53Å | Aromatic |
| C29 | C32 | sing | 1.39Å | 1.51Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.49Å | Aromatic |
| C23 | C16 | sing | 1.48Å | 1.56Å | |
| C27 | C26 | doub | 1.38Å | 1.56Å | Aromatic |
| C14 | C01 | sing | 1.39Å | 1.54Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.58Å | |
| C32 | C30 | doub | 1.39Å | 1.55Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | N02 | sing | 1.38Å | 1.35Å | Aromatic |
| C15 | N05 | sing | 1.35Å | 1.33Å | Aromatic |
| C26 | C30 | sing | 1.39Å | 1.52Å | Aromatic |
| C30 | N13 | sing | 1.40Å | 1.50Å | |
| N02 | C17 | sing | 1.35Å | 1.35Å | Aromatic |
| N05 | C17 | doub | 1.30Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| O09 | C33 | doub | 1.21Å | 1.21Å | |
| N13 | C33 | sing | 1.35Å | 1.46Å | |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C34 | C35 | sing | 1.53Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | O03 | sing | 1.43Å | 1.42Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| N02 | H25 | sing | 0.97Å | 1.00Å | |
| N11 | H27 | sing | 0.97Å | 1.00Å | |
| N13 | H28 | sing | 0.97Å | 1.00Å | |
| O03 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F36 | C07 | C10 | 119.4° | 119.9° |
| F36 | C07 | C04 | 120.3° | 119.9° |
| C31 | O06 | C28 | 114.8° | 117.0° |
| O06 | C31 | H16 | 109.5° | 109.5° |
| O06 | C31 | H17 | 109.5° | 109.4° |
| O06 | C31 | H18 | 109.5° | 109.4° |
| C25 | N08 | C21 | 121.3° | 122.0° |
| N08 | C25 | C24 | 120.3° | 121.1° |
| N08 | C25 | H13 | 119.9° | 119.5° |
| N08 | C21 | N11 | 119.5° | 119.6° |
| N08 | C21 | C22 | 118.1° | 120.7° |
| C25 | C24 | C23 | 118.9° | 119.1° |
| C25 | C24 | H12 | 120.6° | 120.4° |
| C24 | C25 | H13 | 119.9° | 119.5° |
| O06 | C28 | C29 | 119.2° | 120.0° |
| O06 | C28 | C27 | 121.2° | 120.0° |
| C07 | C10 | C12 | 119.5° | 120.1° |
| C10 | C07 | C04 | 120.4° | 120.2° |
| C07 | C10 | H1 | 120.2° | 120.0° |
| C10 | C12 | C14 | 120.2° | 119.9° |
| C12 | C10 | H1 | 120.3° | 119.9° |
| C10 | C12 | H4 | 119.9° | 120.0° |
| C07 | C04 | C01 | 120.1° | 120.1° |
| C07 | C04 | H3 | 119.9° | 120.0° |
| C21 | N11 | C29 | 125.5° | 120.0° |
| N11 | C21 | C22 | 122.3° | 119.7° |
| C21 | N11 | H27 | 117.2° | 120.0° |
| N11 | C29 | C28 | 117.8° | 120.0° |
| N11 | C29 | C32 | 123.0° | 120.0° |
| C29 | N11 | H27 | 117.3° | 120.0° |
| C21 | C22 | C23 | 121.3° | 118.9° |
| C21 | C22 | H11 | 119.3° | 120.5° |
| C24 | C23 | C22 | 120.2° | 118.2° |
| C24 | C23 | C16 | 123.8° | 120.9° |
| C23 | C24 | H12 | 120.5° | 120.5° |
| C12 | C14 | C01 | 120.3° | 119.8° |
| C12 | C14 | C15 | 119.3° | 120.1° |
| C14 | C12 | H4 | 119.9° | 120.1° |
| C29 | C28 | C27 | 119.7° | 119.9° |
| C28 | C29 | C32 | 119.1° | 119.9° |
| C28 | C27 | C26 | 120.1° | 120.1° |
| C28 | C27 | H15 | 119.9° | 119.9° |
| C04 | C01 | C14 | 119.5° | 119.9° |
| C04 | C01 | H2 | 120.3° | 120.0° |
| C01 | C04 | H3 | 119.9° | 120.0° |
| C29 | C32 | C30 | 122.4° | 119.9° |
| C29 | C32 | H19 | 118.8° | 120.1° |
| C22 | C23 | C16 | 116.0° | 120.9° |
| C23 | C22 | H11 | 119.4° | 120.6° |
| C23 | C16 | C15 | 129.7° | 126.9° |
| C23 | C16 | N02 | 122.1° | 126.9° |
| C27 | C26 | C30 | 120.3° | 120.2° |
| C27 | C26 | H14 | 119.8° | 119.9° |
| C26 | C27 | H15 | 119.9° | 120.0° |
| C01 | C14 | C15 | 120.4° | 120.1° |
| C14 | C01 | H2 | 120.2° | 120.1° |
| C14 | C15 | C16 | 127.1° | 126.4° |
| C14 | C15 | N05 | 125.7° | 126.3° |
| C32 | C30 | C26 | 118.3° | 120.0° |
| C32 | C30 | N13 | 122.0° | 120.0° |
| C30 | C32 | H19 | 118.8° | 120.0° |
| C15 | C16 | N02 | 108.3° | 106.2° |
| C16 | C15 | N05 | 107.2° | 107.3° |
| C16 | N02 | C17 | 108.4° | 107.3° |
| C16 | N02 | H25 | 125.8° | 126.3° |
| C15 | N05 | C17 | 108.5° | 109.5° |
| C26 | C30 | N13 | 119.7° | 120.0° |
| C30 | C26 | H14 | 119.8° | 120.0° |
| C30 | N13 | C33 | 124.1° | 120.0° |
| C30 | N13 | H28 | 117.9° | 120.0° |
| N02 | C17 | N05 | 107.6° | 109.6° |
| N02 | C17 | C18 | 125.0° | 125.2° |
| C17 | N02 | H25 | 125.8° | 126.3° |
| N05 | C17 | C18 | 127.4° | 125.2° |
| C17 | C18 | C19 | 111.7° | 109.5° |
| C17 | C18 | H5 | 108.9° | 109.4° |
| C17 | C18 | H6 | 108.9° | 109.5° |
| O09 | C33 | N13 | 121.2° | 120.0° |
| O09 | C33 | C34 | 118.3° | 120.0° |
| N13 | C33 | C34 | 120.4° | 120.0° |
| C33 | N13 | H28 | 117.9° | 120.0° |
| C33 | C34 | C35 | 112.1° | 109.5° |
| C33 | C34 | H20 | 108.8° | 109.5° |
| C33 | C34 | H21 | 108.8° | 109.4° |
| C18 | C19 | C20 | 107.7° | 109.5° |
| C19 | C18 | H5 | 108.9° | 109.5° |
| C19 | C18 | H6 | 108.9° | 109.5° |
| C18 | C19 | H7 | 109.9° | 109.5° |
| C18 | C19 | H8 | 109.9° | 109.5° |
| C35 | C34 | H20 | 108.8° | 109.5° |
| C35 | C34 | H21 | 108.8° | 109.5° |
| C34 | C35 | H22 | 109.5° | 109.5° |
| C34 | C35 | H23 | 109.5° | 109.4° |
| C34 | C35 | H24 | 109.5° | 109.5° |
| C19 | C20 | O03 | 109.5° | 109.4° |
| C20 | C19 | H7 | 109.9° | 109.5° |
| C20 | C19 | H8 | 109.9° | 109.5° |
| C19 | C20 | H9 | 109.4° | 109.5° |
| C19 | C20 | H10 | 109.4° | 109.5° |
| O03 | C20 | H9 | 109.4° | 109.5° |
| O03 | C20 | H10 | 109.5° | 109.5° |
| C20 | O03 | H29 | 109.5° | 113.9° |
| H5 | C18 | H6 | 109.4° | 109.4° |
| H7 | C19 | H8 | 109.4° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H16 | C31 | H18 | 109.5° | 109.5° |
| H17 | C31 | H18 | 109.4° | 109.5° |
| H20 | C34 | H21 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F36 | C07 | C10 | C04 | 179.8° | 180.0° |
| F36 | C07 | C10 | C12 | 179.7° | 180.0° |
| F36 | C07 | C04 | C01 | 179.4° | 179.9° |
| F36 | C07 | C10 | H1 | 0.2° | 0.2° |
| F36 | C07 | C04 | H3 | 0.6° | 0.0° |
| C31 | O06 | C28 | C29 | 173.3° | 180.0° |
| C31 | O06 | C28 | C27 | 7.2° | 0.1° |
| O06 | C31 | H16 | H17 | 120.0° | 120.0° |
| O06 | C31 | H16 | H18 | 120.0° | 120.0° |
| O06 | C31 | H17 | H18 | 120.0° | 120.0° |
| N08 | C25 | C24 | H13 | 180.0° | 180.0° |
| C25 | N08 | C21 | N11 | 179.7° | 179.7° |
| C25 | N08 | C21 | C22 | 0.7° | 0.0° |
| N08 | C25 | C24 | C23 | 0.6° | 0.0° |
| N08 | C25 | C24 | H12 | 179.4° | 180.0° |
| C21 | N08 | C25 | C24 | 0.7° | 0.0° |
| N08 | C21 | N11 | C22 | 179.5° | 179.7° |
| N08 | C21 | N11 | C29 | 179.6° | 6.6° |
| N08 | C21 | C22 | C23 | 0.8° | 0.0° |
| N08 | C21 | C22 | H11 | 179.2° | 180.0° |
| C21 | N08 | C25 | H13 | 179.3° | 180.0° |
| N08 | C21 | N11 | H27 | 0.4° | 173.4° |
| C25 | C24 | C23 | H12 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.6° | 0.0° |
| C25 | C24 | C23 | C16 | 179.4° | 180.0° |
| O06 | C28 | C29 | N11 | 0.7° | 0.0° |
| O06 | C28 | C29 | C27 | 179.5° | 179.9° |
| O06 | C28 | C29 | C32 | 179.5° | 180.0° |
| O06 | C28 | C27 | C26 | 179.9° | 180.0° |
| O06 | C28 | C27 | H15 | 0.0° | 0.1° |
| C28 | O06 | C31 | H16 | 180.0° | 180.0° |
| C28 | O06 | C31 | H17 | 60.0° | 60.0° |
| C28 | O06 | C31 | H18 | 60.0° | 60.0° |
| C07 | C10 | C12 | H1 | 180.0° | 179.8° |
| C07 | C10 | C12 | C14 | 0.7° | 0.0° |
| C10 | C07 | C04 | C01 | 0.3° | 0.0° |
| C10 | C07 | C04 | H3 | 179.7° | 179.9° |
| C07 | C10 | C12 | H4 | 179.3° | 180.0° |
| C12 | C10 | C07 | C04 | 0.0° | 0.0° |
| C10 | C12 | C14 | H4 | 180.0° | 179.9° |
| C10 | C12 | C14 | C01 | 1.2° | 0.0° |
| C10 | C12 | C14 | C15 | 179.6° | 179.9° |
| C07 | C04 | C01 | H3 | 180.0° | 179.9° |
| C07 | C04 | C01 | C14 | 0.1° | 0.1° |
| C04 | C07 | C10 | H1 | 180.0° | 179.7° |
| C07 | C04 | C01 | H2 | 179.9° | 179.9° |
| C21 | N11 | C29 | H27 | 180.0° | 180.0° |
| C21 | N11 | C29 | C28 | 152.5° | 155.3° |
| C21 | N11 | C29 | C32 | 28.8° | 24.7° |
| N11 | C21 | C22 | C23 | 179.7° | 179.7° |
| N11 | C21 | C22 | H11 | 0.3° | 0.3° |
| C29 | N11 | C21 | C22 | 0.8° | 173.7° |
| N11 | C29 | C28 | C32 | 178.8° | 180.0° |
| N11 | C29 | C28 | C27 | 179.8° | 180.0° |
| N11 | C29 | C32 | C30 | 179.7° | 180.0° |
| N11 | C29 | C32 | H19 | 0.3° | 0.1° |
| C21 | C22 | C23 | C24 | 0.7° | 0.0° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | C16 | 179.3° | 180.0° |
| C22 | C21 | N11 | H27 | 179.2° | 6.3° |
| C24 | C23 | C22 | C16 | 180.0° | 179.9° |
| C24 | C23 | C16 | C15 | 26.3° | 45.1° |
| C24 | C23 | C16 | N02 | 152.7° | 135.0° |
| C24 | C23 | C22 | H11 | 179.3° | 180.0° |
| C23 | C24 | C25 | H13 | 179.4° | 180.0° |
| C12 | C14 | C01 | C04 | 0.9° | 0.0° |
| C12 | C14 | C01 | C15 | 178.5° | 179.9° |
| C12 | C14 | C15 | C16 | 51.8° | 34.7° |
| C12 | C14 | C15 | N05 | 128.3° | 145.0° |
| C14 | C12 | C10 | H1 | 179.3° | 179.7° |
| C12 | C14 | C01 | H2 | 179.1° | 179.9° |
| C29 | C28 | C27 | C26 | 0.4° | 0.1° |
| C28 | C29 | C32 | C30 | 0.9° | 0.0° |
| C29 | C28 | C27 | H15 | 179.6° | 180.0° |
| C28 | C29 | C32 | H19 | 179.1° | 179.9° |
| C28 | C29 | N11 | H27 | 27.5° | 24.7° |
| C27 | C28 | C29 | C32 | 0.9° | 0.0° |
| C28 | C27 | C26 | H15 | 180.0° | 179.9° |
| C28 | C27 | C26 | C30 | 0.2° | 0.1° |
| C28 | C27 | C26 | H14 | 179.8° | 179.7° |
| C04 | C01 | C14 | H2 | 180.0° | 180.0° |
| C04 | C01 | C14 | C15 | 179.3° | 180.0° |
| C29 | C32 | C30 | H19 | 180.0° | 179.9° |
| C29 | C32 | C30 | C26 | 0.3° | 0.0° |
| C29 | C32 | C30 | N13 | 178.9° | 179.7° |
| C32 | C29 | N11 | H27 | 151.3° | 155.3° |
| C22 | C23 | C16 | C15 | 153.7° | 135.0° |
| C22 | C23 | C16 | N02 | 27.3° | 45.0° |
| C22 | C23 | C24 | H12 | 179.4° | 180.0° |
| C23 | C16 | C15 | C14 | 0.7° | 0.1° |
| C23 | C16 | C15 | N02 | 179.2° | 180.0° |
| C23 | C16 | C15 | N05 | 179.2° | 179.7° |
| C23 | C16 | N02 | C17 | 179.6° | 180.0° |
| C16 | C23 | C22 | H11 | 0.7° | 0.0° |
| C16 | C23 | C24 | H12 | 0.6° | 0.1° |
| C23 | C16 | N02 | H25 | 0.4° | 0.1° |
| C27 | C26 | C30 | C32 | 0.3° | 0.0° |
| C27 | C26 | C30 | H14 | 180.0° | 179.8° |
| C27 | C26 | C30 | N13 | 179.5° | 179.7° |
| C01 | C14 | C15 | C16 | 129.7° | 145.2° |
| C01 | C14 | C15 | N05 | 50.2° | 35.0° |
| C14 | C01 | C04 | H3 | 179.9° | 180.0° |
| C01 | C14 | C12 | H4 | 178.8° | 179.9° |
| C14 | C15 | C16 | N05 | 179.9° | 179.8° |
| C14 | C15 | C16 | N02 | 179.9° | 180.0° |
| C14 | C15 | N05 | C17 | 179.8° | 179.8° |
| C15 | C14 | C01 | H2 | 0.7° | 0.0° |
| C15 | C14 | C12 | H4 | 0.3° | 0.0° |
| C32 | C30 | C26 | N13 | 179.2° | 179.7° |
| C32 | C30 | N13 | C33 | 18.5° | 145.2° |
| C32 | C30 | C26 | H14 | 179.7° | 179.7° |
| C32 | C30 | N13 | H28 | 161.5° | 34.9° |
| C15 | C16 | N02 | C17 | 0.4° | 0.0° |
| C16 | C15 | N05 | C17 | 0.4° | 0.4° |
| C15 | C16 | N02 | H25 | 179.7° | 180.0° |
| N02 | C16 | C15 | N05 | 0.0° | 0.2° |
| C16 | N02 | C17 | H25 | 180.0° | 180.0° |
| C16 | N02 | C17 | N05 | 0.6° | 0.3° |
| C16 | N02 | C17 | C18 | 179.1° | 180.0° |
| C15 | N05 | C17 | N02 | 0.6° | 0.5° |
| C15 | N05 | C17 | C18 | 179.1° | 179.8° |
| C26 | C30 | N13 | C33 | 160.6° | 35.1° |
| C30 | C26 | C27 | H15 | 179.8° | 180.0° |
| C26 | C30 | C32 | H19 | 179.7° | 179.9° |
| C26 | C30 | N13 | H28 | 19.4° | 144.8° |
| C30 | N13 | C33 | O09 | 0.8° | 4.5° |
| C30 | N13 | C33 | H28 | 180.0° | 180.0° |
| C30 | N13 | C33 | C34 | 178.4° | 175.5° |
| N13 | C30 | C26 | H14 | 0.6° | 0.0° |
| N13 | C30 | C32 | H19 | 1.1° | 0.2° |
| N02 | C17 | N05 | C18 | 179.7° | 179.7° |
| N02 | C17 | C18 | C19 | 91.3° | 125.0° |
| N02 | C17 | C18 | H5 | 148.3° | 115.0° |
| N02 | C17 | C18 | H6 | 29.0° | 4.9° |
| N05 | C17 | C18 | C19 | 89.0° | 54.7° |
| N05 | C17 | C18 | H5 | 31.4° | 65.3° |
| N05 | C17 | C18 | H6 | 150.6° | 174.7° |
| N05 | C17 | N02 | H25 | 179.4° | 179.7° |
| C17 | C18 | C19 | H5 | 120.3° | 120.0° |
| C17 | C18 | C19 | H6 | 120.4° | 120.1° |
| C17 | C18 | C19 | C20 | 173.9° | 180.0° |
| C17 | C18 | H5 | H6 | 119.0° | 120.0° |
| C17 | C18 | C19 | H7 | 66.4° | 60.0° |
| C17 | C18 | C19 | H8 | 54.1° | 59.9° |
| C18 | C17 | N02 | H25 | 0.8° | 0.0° |
| O09 | C33 | N13 | C34 | 179.3° | 180.0° |
| O09 | C33 | C34 | C35 | 120.2° | 0.0° |
| O09 | C33 | C34 | H20 | 0.1° | 120.0° |
| O09 | C33 | C34 | H21 | 119.4° | 120.0° |
| O09 | C33 | N13 | H28 | 179.2° | 175.5° |
| N13 | C33 | C34 | C35 | 60.5° | 180.0° |
| N13 | C33 | C34 | H20 | 179.1° | 60.0° |
| N13 | C33 | C34 | H21 | 59.9° | 60.0° |
| C33 | C34 | C35 | H20 | 120.4° | 120.0° |
| C33 | C34 | C35 | H21 | 120.4° | 120.0° |
| C33 | C34 | H20 | H21 | 118.8° | 120.0° |
| C33 | C34 | C35 | H22 | 180.0° | 60.0° |
| C33 | C34 | C35 | H23 | 60.0° | 60.0° |
| C33 | C34 | C35 | H24 | 60.0° | 180.0° |
| C34 | C33 | N13 | H28 | 1.5° | 4.5° |
| C18 | C19 | C20 | H7 | 119.7° | 120.0° |
| C18 | C19 | C20 | H8 | 119.8° | 120.0° |
| C18 | C19 | C20 | O03 | 102.5° | 180.0° |
| C19 | C18 | H5 | H6 | 119.0° | 120.0° |
| C18 | C19 | H7 | H8 | 120.8° | 120.0° |
| C18 | C19 | C20 | H9 | 17.5° | 60.0° |
| C18 | C19 | C20 | H10 | 137.4° | 60.0° |
| C35 | C34 | H20 | H21 | 118.8° | 120.0° |
| C34 | C35 | H22 | H23 | 120.0° | 119.9° |
| C34 | C35 | H22 | H24 | 120.0° | 120.0° |
| C34 | C35 | H23 | H24 | 120.0° | 120.0° |
| C19 | C20 | O03 | H9 | 120.0° | 120.0° |
| C19 | C20 | O03 | H10 | 120.0° | 120.0° |
| C20 | C19 | C18 | H5 | 53.5° | 60.0° |
| C20 | C19 | C18 | H6 | 65.8° | 59.9° |
| C20 | C19 | H7 | H8 | 120.8° | 120.0° |
| C19 | C20 | H9 | H10 | 119.9° | 120.0° |
| C19 | C20 | O03 | H29 | 180.0° | 180.0° |
| O03 | C20 | C19 | H7 | 137.7° | 60.0° |
| O03 | C20 | C19 | H8 | 17.2° | 60.0° |
| O03 | C20 | H9 | H10 | 120.0° | 120.0° |
| H1 | C10 | C12 | H4 | 0.8° | 0.2° |
| H2 | C01 | C04 | H3 | 0.1° | 0.0° |
| H5 | C18 | C19 | H7 | 173.3° | NaN° |
| H5 | C18 | C19 | H8 | 66.2° | 60.0° |
| H6 | C18 | C19 | H7 | 53.9° | 60.0° |
| H6 | C18 | C19 | H8 | 174.4° | 180.0° |
| H7 | C19 | C20 | H9 | 102.3° | 180.0° |
| H7 | C19 | C20 | H10 | 17.7° | 60.0° |
| H8 | C19 | C20 | H9 | 137.2° | 60.0° |
| H8 | C19 | C20 | H10 | 102.8° | 179.9° |
| H9 | C20 | O03 | H29 | 60.0° | 60.0° |
| H10 | C20 | O03 | H29 | 60.0° | 60.0° |
| H12 | C24 | C25 | H13 | 0.6° | 0.0° |
| H14 | C26 | C27 | H15 | 0.2° | 0.2° |
| H16 | C31 | H17 | H18 | 120.0° | 120.1° |
| H20 | C34 | C35 | H22 | 59.6° | 180.0° |
| H20 | C34 | C35 | H23 | 179.6° | 60.0° |
| H20 | C34 | C35 | H24 | 60.4° | 59.9° |
| H21 | C34 | C35 | H22 | 59.6° | 60.0° |
| H21 | C34 | C35 | H23 | 60.4° | 180.0° |
| H21 | C34 | C35 | H24 | 179.6° | 60.0° |
| H22 | C35 | H23 | H24 | 120.0° | 120.0° |
