R3Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| F16 | C14 | sing | 1.40Å | 1.40Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.55Å | 1.55Å | |
| C14 | C9 | sing | 1.55Å | 1.54Å | |
| O8 | C7 | sing | 1.36Å | 1.37Å | |
| O8 | C9 | sing | 1.43Å | 1.45Å | |
| C7 | C6 | doub | 1.40Å | 1.43Å | Aromatic |
| C4 | CL34 | sing | 1.74Å | 1.73Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N12 | sing | 1.48Å | 1.48Å | |
| C9 | C11 | sing | 1.54Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.49Å | |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C17 | sing | 1.48Å | 1.49Å | |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | S24 | sing | 1.76Å | 1.75Å | Aromatic |
| C25 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| S24 | C23 | sing | 1.75Å | 1.75Å | Aromatic |
| C19 | N20 | doub | 1.31Å | 1.33Å | Aromatic |
| O29 | C28 | doub | 1.21Å | 1.21Å | |
| C30 | C28 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C28 | N27 | sing | 1.34Å | 1.35Å | |
| C21 | N20 | sing | 1.35Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.45Å | 1.45Å | Aromatic |
| C23 | C22 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | C26 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| N27 | C26 | sing | 1.47Å | 1.48Å | |
| N27 | C32 | sing | 1.34Å | 1.35Å | |
| C32 | O33 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| N12 | H13 | sing | 1.01Å | 1.00Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 117.5° | 120.0° |
| C1 | C2 | C7 | 122.3° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| F16 | C14 | C13 | 108.0° | 111.0° |
| F16 | C14 | C9 | 113.9° | 111.0° |
| F16 | C14 | H17 | 112.7° | 110.9° |
| C3 | C2 | C7 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.4° |
| C2 | C3 | H4 | 119.7° | 119.8° |
| C2 | C7 | O8 | 119.1° | 120.1° |
| C2 | C7 | C6 | 118.5° | 119.8° |
| C3 | C4 | CL34 | 120.4° | 119.9° |
| C3 | C4 | C5 | 120.2° | 120.2° |
| C4 | C3 | H4 | 119.7° | 119.9° |
| C13 | C14 | C9 | 100.8° | 101.7° |
| C14 | C13 | N12 | 100.6° | 104.8° |
| C14 | C13 | H15 | 111.6° | 110.4° |
| C14 | C13 | H16 | 111.6° | 110.5° |
| C13 | C14 | H17 | 110.3° | 111.0° |
| C14 | C9 | O8 | 118.4° | 110.7° |
| C14 | C9 | C11 | 100.9° | 103.0° |
| C14 | C9 | H12 | 108.6° | 110.9° |
| C9 | C14 | H17 | 110.4° | 111.0° |
| C7 | O8 | C9 | 120.3° | 117.0° |
| O8 | C7 | C6 | 122.4° | 120.1° |
| O8 | C9 | C11 | 109.7° | 110.7° |
| O8 | C9 | H12 | 109.9° | 110.6° |
| C7 | C6 | C5 | 119.8° | 119.8° |
| C7 | C6 | C17 | 122.1° | 120.1° |
| CL34 | C4 | C5 | 119.4° | 119.8° |
| C4 | C5 | C6 | 120.8° | 119.9° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C13 | N12 | C11 | 112.5° | 108.6° |
| C13 | N12 | H13 | 108.7° | 111.0° |
| N12 | C13 | H15 | 111.6° | 110.3° |
| N12 | C13 | H16 | 111.6° | 110.4° |
| C9 | C11 | N12 | 101.0° | 107.2° |
| C9 | C11 | H6 | 111.5° | 109.9° |
| C9 | C11 | H7 | 111.5° | 110.0° |
| C11 | C9 | H12 | 108.7° | 110.7° |
| N12 | C11 | H6 | 111.6° | 109.8° |
| N12 | C11 | H7 | 111.5° | 109.9° |
| C11 | N12 | H13 | 108.7° | 111.0° |
| C5 | C6 | C17 | 118.1° | 120.1° |
| C6 | C5 | H5 | 119.6° | 120.1° |
| C6 | C17 | C18 | 118.7° | 120.8° |
| C6 | C17 | C25 | 122.8° | 120.8° |
| C18 | C17 | C25 | 118.5° | 118.4° |
| C17 | C18 | C19 | 119.3° | 119.0° |
| C17 | C18 | H8 | 120.4° | 120.5° |
| C17 | C25 | S24 | 131.4° | 130.8° |
| C17 | C25 | C21 | 119.1° | 119.3° |
| C18 | C19 | N20 | 121.3° | 121.5° |
| C19 | C18 | H8 | 120.3° | 120.5° |
| C18 | C19 | H9 | 119.3° | 119.2° |
| S24 | C25 | C21 | 109.5° | 109.9° |
| C25 | S24 | C23 | 92.5° | 92.1° |
| C25 | C21 | N20 | 119.4° | 119.3° |
| C25 | C21 | C22 | 111.7° | 111.7° |
| S24 | C23 | C22 | 111.2° | 111.3° |
| S24 | C23 | C26 | 124.6° | 124.4° |
| C19 | N20 | C21 | 122.4° | 122.4° |
| N20 | C19 | H9 | 119.4° | 119.2° |
| O29 | C28 | C30 | 123.4° | 125.4° |
| O29 | C28 | N27 | 126.6° | 125.4° |
| C28 | C30 | C31 | 103.8° | 103.6° |
| C30 | C28 | N27 | 109.9° | 109.2° |
| C28 | C30 | H10 | 110.9° | 110.6° |
| C28 | C30 | H14 | 110.9° | 110.6° |
| C30 | C31 | C32 | 103.3° | 103.6° |
| C31 | C30 | H10 | 110.8° | 110.6° |
| C30 | C31 | H11 | 111.0° | 110.6° |
| C31 | C30 | H14 | 110.8° | 110.6° |
| C30 | C31 | H21 | 111.0° | 110.7° |
| C28 | N27 | C26 | 122.9° | 122.7° |
| C28 | N27 | C32 | 112.8° | 114.5° |
| N20 | C21 | C22 | 128.8° | 129.0° |
| C21 | C22 | C23 | 115.0° | 115.0° |
| C21 | C22 | H18 | 122.5° | 122.6° |
| C22 | C23 | C26 | 124.2° | 124.3° |
| C23 | C22 | H18 | 122.5° | 122.5° |
| C23 | C26 | N27 | 108.7° | 109.5° |
| C23 | C26 | H19 | 109.7° | 109.5° |
| C23 | C26 | H20 | 109.6° | 109.5° |
| C31 | C32 | N27 | 110.1° | 109.2° |
| C31 | C32 | O33 | 123.2° | 125.4° |
| C32 | C31 | H11 | 111.0° | 110.6° |
| C32 | C31 | H21 | 111.0° | 110.5° |
| C26 | N27 | C32 | 124.2° | 122.8° |
| N27 | C26 | H19 | 109.7° | 109.4° |
| N27 | C26 | H20 | 109.7° | 109.5° |
| N27 | C32 | O33 | 126.7° | 125.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.9° |
| H10 | C30 | H14 | 109.5° | 110.6° |
| H11 | C31 | H21 | 109.5° | 110.7° |
| H15 | C13 | H16 | 109.5° | 110.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C7 | O8 | 0.2° | 0.0° |
| C1 | C2 | C7 | C6 | 179.5° | 179.7° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.0° | 0.1° |
| F16 | C14 | C13 | C9 | 119.7° | 118.1° |
| F16 | C14 | C13 | H17 | 123.6° | 123.8° |
| F16 | C14 | C9 | H17 | 128.0° | 123.8° |
| F16 | C14 | C9 | O8 | 53.5° | 35.9° |
| F16 | C14 | C13 | N12 | 80.6° | 81.0° |
| F16 | C14 | C9 | C11 | 66.1° | 82.5° |
| F16 | C14 | C9 | H12 | 179.7° | 159.0° |
| F16 | C14 | C13 | H15 | 160.8° | 37.7° |
| F16 | C14 | C13 | H16 | 38.0° | 160.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C7 | O8 | 179.8° | 179.7° |
| C3 | C2 | C7 | C6 | 0.4° | 0.6° |
| C2 | C3 | C4 | CL34 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 90.0° | 90.0° |
| C3 | C2 | C1 | H2 | 150.0° | 150.0° |
| C3 | C2 | C1 | H3 | 30.1° | 30.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | C7 | O8 | C6 | 179.7° | 179.7° |
| C2 | C7 | O8 | C9 | 112.1° | 95.8° |
| C2 | C7 | C6 | C5 | 0.7° | 0.5° |
| C2 | C7 | C6 | C17 | 179.4° | 179.7° |
| C7 | C2 | C1 | H1 | 90.0° | 90.3° |
| C7 | C2 | C1 | H2 | 30.1° | 29.7° |
| C7 | C2 | C1 | H3 | 150.0° | 149.7° |
| C7 | C2 | C3 | H4 | 179.9° | 179.8° |
| C3 | C4 | CL34 | C5 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C13 | C14 | C9 | H17 | 116.6° | 118.1° |
| C13 | C14 | C9 | O8 | 168.8° | 154.0° |
| C14 | C13 | N12 | H15 | 118.5° | 118.8° |
| C14 | C13 | N12 | H16 | 118.5° | 118.9° |
| C13 | C14 | C9 | C11 | 49.2° | 35.7° |
| C14 | C13 | N12 | C11 | 15.5° | 24.1° |
| C13 | C14 | C9 | H12 | 64.9° | 82.8° |
| C14 | C13 | N12 | H13 | 136.0° | 146.3° |
| C14 | C13 | H15 | H16 | 124.1° | 122.4° |
| C14 | C9 | O8 | C7 | 84.1° | 149.9° |
| C14 | C9 | O8 | C11 | 114.9° | 113.6° |
| C14 | C9 | O8 | H12 | 125.6° | 123.3° |
| C9 | C14 | C13 | N12 | 39.1° | 37.1° |
| C14 | C9 | C11 | H12 | 114.1° | 118.6° |
| C14 | C9 | C11 | N12 | 38.8° | 22.2° |
| C14 | C9 | C11 | H6 | 79.8° | 97.1° |
| C14 | C9 | C11 | H7 | 157.4° | 141.7° |
| C9 | C14 | C13 | H15 | 79.4° | 155.8° |
| C9 | C14 | C13 | H16 | 157.7° | 81.8° |
| C7 | O8 | C9 | C11 | 160.9° | 96.5° |
| O8 | C7 | C6 | C5 | 179.6° | 179.8° |
| O8 | C7 | C6 | C17 | 0.3° | 0.0° |
| C7 | O8 | C9 | H12 | 41.5° | 26.6° |
| C9 | O8 | C7 | C6 | 68.2° | 83.9° |
| O8 | C9 | C11 | H12 | 120.2° | 123.0° |
| O8 | C9 | C11 | N12 | 164.5° | 140.7° |
| O8 | C9 | C11 | H6 | 45.8° | 21.3° |
| O8 | C9 | C11 | H7 | 76.9° | 99.9° |
| O8 | C9 | C14 | H17 | 74.5° | 87.9° |
| C7 | C6 | C5 | C4 | 0.5° | 0.3° |
| C7 | C6 | C5 | C17 | 179.9° | 179.8° |
| C7 | C6 | C17 | C18 | 58.3° | 114.1° |
| C7 | C6 | C17 | C25 | 119.1° | 66.1° |
| C7 | C6 | C5 | H5 | 179.6° | 179.8° |
| CL34 | C4 | C5 | C6 | 179.9° | 180.0° |
| CL34 | C4 | C3 | H4 | 0.1° | 0.0° |
| CL34 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C17 | 179.6° | 180.0° |
| C5 | C4 | C3 | H4 | 179.7° | 180.0° |
| C13 | N12 | C11 | C9 | 14.7° | 1.0° |
| C13 | N12 | C11 | H13 | 120.5° | 122.3° |
| C13 | N12 | C11 | H6 | 103.9° | 120.4° |
| C13 | N12 | C11 | H7 | 133.3° | 118.6° |
| N12 | C13 | H15 | H16 | 124.2° | 122.3° |
| N12 | C13 | C14 | H17 | 155.8° | 155.2° |
| C9 | C11 | N12 | H6 | 118.6° | 119.4° |
| C9 | C11 | N12 | H7 | 118.6° | 119.6° |
| C9 | C11 | H6 | H7 | 124.0° | 121.3° |
| C9 | C11 | N12 | H13 | 105.8° | 123.3° |
| C11 | C9 | C14 | H17 | 165.9° | 153.7° |
| N12 | C11 | H6 | H7 | 123.9° | 121.0° |
| N12 | C11 | C9 | H12 | 75.3° | 96.3° |
| C11 | N12 | C13 | H15 | 103.1° | 142.9° |
| C11 | N12 | C13 | H16 | 134.0° | 94.8° |
| C5 | C6 | C17 | C18 | 121.8° | 66.1° |
| C5 | C6 | C17 | C25 | 60.8° | 113.6° |
| C6 | C17 | C18 | C25 | 177.5° | 179.8° |
| C6 | C17 | C18 | C19 | 178.4° | 180.0° |
| C6 | C17 | C25 | S24 | 2.2° | 0.0° |
| C6 | C17 | C25 | C21 | 178.2° | 179.7° |
| C17 | C6 | C5 | H5 | 0.4° | 0.0° |
| C6 | C17 | C18 | H8 | 1.6° | 0.0° |
| C17 | C18 | C19 | H8 | 180.0° | 180.0° |
| C18 | C17 | C25 | S24 | 179.6° | 179.7° |
| C18 | C17 | C25 | C21 | 0.8° | 0.5° |
| C17 | C18 | C19 | N20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H9 | 179.8° | 180.0° |
| C25 | C17 | C18 | C19 | 0.9° | 0.2° |
| C17 | C25 | S24 | C21 | 179.6° | 179.8° |
| C17 | C25 | S24 | C23 | 179.9° | 179.5° |
| C17 | C25 | C21 | N20 | 0.1° | 0.5° |
| C17 | C25 | C21 | C22 | 179.8° | 179.7° |
| C25 | C17 | C18 | H8 | 179.1° | 179.7° |
| C18 | C19 | N20 | H9 | 180.0° | 179.9° |
| C18 | C19 | N20 | C21 | 0.5° | 0.1° |
| S24 | C25 | C21 | N20 | 179.8° | 179.7° |
| S24 | C25 | C21 | C22 | 0.2° | 0.1° |
| C25 | S24 | C23 | C22 | 0.8° | 0.4° |
| C25 | S24 | C23 | C26 | 179.1° | 180.0° |
| C21 | C25 | S24 | C23 | 0.6° | 0.3° |
| C25 | C21 | N20 | C19 | 0.5° | 0.2° |
| C25 | C21 | N20 | C22 | 179.9° | 179.8° |
| C25 | C21 | C22 | C23 | 0.5° | 0.2° |
| C25 | C21 | C22 | H18 | 179.5° | 179.7° |
| S24 | C23 | C22 | C21 | 0.9° | 0.4° |
| S24 | C23 | C22 | C26 | 180.0° | 179.6° |
| S24 | C23 | C26 | N27 | 81.4° | 84.4° |
| S24 | C23 | C22 | H18 | 179.1° | 179.5° |
| S24 | C23 | C26 | H19 | 158.7° | 35.5° |
| S24 | C23 | C26 | H20 | 38.5° | 155.6° |
| C19 | N20 | C21 | C22 | 179.5° | 180.0° |
| N20 | C19 | C18 | H8 | 179.8° | 179.9° |
| O29 | C28 | C30 | N27 | 178.9° | 179.9° |
| O29 | C28 | C30 | C31 | 178.7° | 180.0° |
| O29 | C28 | N27 | C26 | 1.2° | 0.1° |
| O29 | C28 | N27 | C32 | 179.1° | 180.0° |
| O29 | C28 | C30 | H10 | 59.6° | 61.4° |
| O29 | C28 | C30 | H14 | 62.2° | 61.5° |
| C28 | C30 | C31 | H10 | 119.1° | 118.5° |
| C28 | C30 | C31 | H14 | 119.1° | 118.6° |
| C28 | C30 | C31 | C32 | 0.5° | 0.0° |
| C30 | C28 | N27 | C26 | 180.0° | 180.0° |
| C30 | C28 | N27 | C32 | 0.2° | 0.1° |
| C28 | C30 | H10 | H14 | 122.7° | 122.9° |
| C28 | C30 | C31 | H11 | 118.6° | 118.5° |
| C28 | C30 | C31 | H21 | 119.4° | 118.5° |
| C31 | C30 | C28 | N27 | 0.2° | 0.0° |
| C30 | C31 | C32 | H11 | 119.0° | 118.5° |
| C30 | C31 | C32 | H21 | 119.0° | 118.6° |
| C30 | C31 | C32 | N27 | 0.6° | 0.0° |
| C30 | C31 | C32 | O33 | 179.3° | 180.0° |
| C31 | C30 | H10 | H14 | 122.6° | 122.9° |
| C30 | C31 | H11 | H21 | 122.9° | 123.0° |
| C28 | N27 | C26 | C23 | 82.1° | 85.2° |
| C28 | N27 | C32 | C31 | 0.5° | 0.0° |
| C28 | N27 | C26 | C32 | 179.7° | 180.0° |
| C28 | N27 | C32 | O33 | 179.2° | 180.0° |
| N27 | C28 | C30 | H10 | 119.3° | 118.5° |
| C28 | N27 | C26 | H19 | 158.0° | 154.8° |
| C28 | N27 | C26 | H20 | 37.7° | 34.8° |
| N27 | C28 | C30 | H14 | 118.9° | 118.6° |
| N20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C21 | N20 | C19 | H9 | 179.5° | 180.0° |
| N20 | C21 | C22 | H18 | 0.4° | 0.0° |
| C21 | C22 | C23 | H18 | 180.0° | 180.0° |
| C21 | C22 | C23 | C26 | 179.1° | 180.0° |
| C22 | C23 | C26 | N27 | 98.6° | 95.2° |
| C22 | C23 | C26 | H19 | 21.3° | 144.9° |
| C22 | C23 | C26 | H20 | 141.5° | 24.9° |
| C23 | C26 | N27 | H19 | 119.9° | 120.0° |
| C23 | C26 | N27 | H20 | 119.9° | 120.0° |
| C23 | C26 | N27 | C32 | 97.6° | 94.8° |
| C26 | C23 | C22 | H18 | 0.9° | 0.1° |
| C23 | C26 | H19 | H20 | 120.3° | 120.0° |
| C31 | C32 | N27 | C26 | 179.7° | 180.0° |
| C31 | C32 | N27 | O33 | 178.7° | 180.0° |
| C32 | C31 | C30 | H10 | 119.5° | 118.5° |
| C32 | C31 | H11 | H21 | 122.9° | 122.8° |
| C32 | C31 | C30 | H14 | 118.6° | 118.6° |
| C26 | N27 | C32 | O33 | 1.1° | 0.0° |
| N27 | C26 | H19 | H20 | 120.4° | 120.0° |
| N27 | C32 | C31 | H11 | 118.4° | 118.5° |
| C32 | N27 | C26 | H19 | 22.3° | 25.1° |
| C32 | N27 | C26 | H20 | 142.5° | 145.1° |
| N27 | C32 | C31 | H21 | 119.6° | 118.5° |
| O33 | C32 | C31 | H11 | 60.3° | 61.5° |
| O33 | C32 | C31 | H21 | 61.7° | 61.5° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C11 | C9 | H12 | 166.1° | 144.3° |
| H6 | C11 | N12 | H13 | 135.6° | 117.3° |
| H7 | C11 | C9 | H12 | 43.3° | 23.1° |
| H7 | C11 | N12 | H13 | 12.8° | 3.7° |
| H8 | C18 | C19 | H9 | 0.2° | 0.0° |
| H10 | C30 | C31 | H11 | 0.5° | 123.0° |
| H10 | C30 | C31 | H21 | 121.5° | 0.0° |
| H11 | C31 | C30 | H14 | 122.4° | 0.1° |
| H12 | C9 | C14 | H17 | 51.7° | 35.3° |
| H13 | N12 | C13 | H15 | 17.4° | 94.8° |
| H13 | N12 | C13 | H16 | 105.5° | 27.4° |
| H15 | C13 | C14 | H17 | 37.2° | 86.1° |
| H16 | C13 | C14 | H17 | 85.6° | 36.3° |
| H14 | C30 | C31 | H21 | 0.4° | 122.9° |
