XBV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C5 | sing | 1.54Å | 1.54Å | |
| C1 | C6 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C3 | N4 | sing | 1.48Å | 1.50Å | |
| N4 | C5 | sing | 1.49Å | 1.48Å | |
| N4 | C33 | sing | 1.47Å | 1.47Å | |
| C6 | O10 | doub | 1.21Å | 1.22Å | |
| C6 | N11 | sing | 1.35Å | 1.35Å | |
| C7 | N8 | sing | 1.35Å | 1.31Å | |
| C7 | O9 | doub | 1.21Å | 1.22Å | |
| N8 | C19 | sing | 1.40Å | 1.41Å | |
| N11 | C12 | sing | 1.39Å | 1.39Å | |
| C12 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| N13 | C16 | sing | 1.32Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | CL1 | sing | 1.74Å | 1.74Å | |
| C15 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | N25 | sing | 1.40Å | 1.43Å | |
| C22 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | F32 | sing | 1.35Å | 1.34Å | |
| N25 | C26 | sing | 1.36Å | 1.40Å | |
| N25 | C30 | sing | 1.35Å | 1.40Å | |
| C26 | C29 | doub | 1.35Å | 1.36Å | |
| C27 | C28 | doub | 1.36Å | 1.38Å | |
| C27 | C29 | sing | 1.40Å | 1.40Å | |
| C28 | C30 | sing | 1.40Å | 1.44Å | |
| C30 | O31 | doub | 1.22Å | 1.24Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | F35 | sing | 1.40Å | 1.40Å | |
| C34 | F36 | sing | 1.40Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 107.0° | 105.0° |
| C2 | C1 | C6 | 112.5° | 110.3° |
| C1 | C2 | C3 | 104.5° | 105.1° |
| C1 | C2 | C7 | 110.1° | 110.3° |
| C2 | C1 | H1 | 110.7° | 110.3° |
| C1 | C2 | H2 | 112.9° | 110.3° |
| C5 | C1 | C6 | 113.7° | 110.3° |
| C1 | C5 | N4 | 104.0° | 104.6° |
| C5 | C1 | H1 | 109.4° | 110.3° |
| C1 | C5 | H51C | 111.3° | 110.4° |
| C1 | C5 | H52C | 112.5° | 110.4° |
| C1 | C6 | O10 | 122.3° | 120.0° |
| C1 | C6 | N11 | 115.5° | 120.0° |
| C6 | C1 | H1 | 103.5° | 110.4° |
| C3 | C2 | C7 | 111.3° | 110.3° |
| C2 | C3 | N4 | 101.9° | 104.6° |
| C3 | C2 | H2 | 111.7° | 110.3° |
| C2 | C3 | H31C | 112.1° | 110.5° |
| C2 | C3 | H32C | 113.7° | 110.4° |
| C2 | C7 | N8 | 114.4° | 120.0° |
| C2 | C7 | O9 | 123.0° | 120.0° |
| C7 | C2 | H2 | 106.3° | 110.3° |
| C3 | N4 | C5 | 107.6° | 104.3° |
| C3 | N4 | C33 | 111.0° | 111.0° |
| N4 | C3 | H31C | 112.1° | 110.5° |
| N4 | C3 | H32C | 113.7° | 110.4° |
| C5 | N4 | C33 | 110.3° | 111.0° |
| N4 | C5 | H51C | 111.3° | 110.4° |
| N4 | C5 | H52C | 112.5° | 110.5° |
| N4 | C33 | C34 | 111.5° | 109.5° |
| N4 | C33 | H331 | 108.8° | 109.5° |
| N4 | C33 | H332 | 108.3° | 109.5° |
| O10 | C6 | N11 | 121.9° | 120.0° |
| C6 | N11 | C12 | 128.7° | 120.0° |
| C6 | N11 | H11 | 115.7° | 120.0° |
| N8 | C7 | O9 | 122.5° | 120.0° |
| C7 | N8 | C19 | 125.8° | 120.0° |
| C7 | N8 | H8 | 117.1° | 120.0° |
| N8 | C19 | C20 | 124.2° | 120.0° |
| N8 | C19 | C24 | 113.4° | 120.0° |
| C19 | N8 | H8 | 117.1° | 120.0° |
| N11 | C12 | N13 | 119.3° | 119.6° |
| N11 | C12 | C17 | 119.5° | 119.7° |
| C12 | N11 | H11 | 115.6° | 120.0° |
| N13 | C12 | C17 | 120.2° | 120.6° |
| C12 | N13 | C16 | 121.9° | 121.6° |
| C12 | C17 | C15 | 119.6° | 119.1° |
| C12 | C17 | H17 | 120.2° | 120.4° |
| N13 | C16 | C14 | 120.1° | 120.8° |
| N13 | C16 | H16 | 120.0° | 119.5° |
| C15 | C14 | C16 | 118.9° | 119.3° |
| C15 | C14 | CL1 | 119.4° | 120.4° |
| C14 | C15 | C17 | 119.2° | 118.5° |
| C14 | C15 | H15 | 120.4° | 120.7° |
| C16 | C14 | CL1 | 121.6° | 120.3° |
| C14 | C16 | H16 | 120.0° | 119.7° |
| C15 | C17 | H17 | 120.2° | 120.5° |
| C17 | C15 | H15 | 120.4° | 120.8° |
| C20 | C19 | C24 | 122.3° | 120.0° |
| C19 | C20 | C23 | 118.3° | 120.0° |
| C19 | C20 | H20 | 120.9° | 120.0° |
| C19 | C24 | C22 | 120.5° | 119.9° |
| C19 | C24 | F32 | 120.5° | 120.0° |
| C20 | C23 | C21 | 119.1° | 120.1° |
| C23 | C20 | H20 | 120.9° | 120.0° |
| C20 | C23 | H23 | 120.5° | 120.0° |
| C22 | C21 | C23 | 122.2° | 120.0° |
| C22 | C21 | N25 | 115.8° | 120.0° |
| C21 | C22 | C24 | 117.4° | 120.0° |
| C21 | C22 | H22 | 121.3° | 120.0° |
| C23 | C21 | N25 | 122.0° | 120.0° |
| C21 | C23 | H23 | 120.4° | 120.0° |
| C21 | N25 | C26 | 119.8° | 119.7° |
| C21 | N25 | C30 | 119.3° | 119.6° |
| C22 | C24 | F32 | 118.8° | 120.0° |
| C24 | C22 | H22 | 121.3° | 120.0° |
| C26 | N25 | C30 | 120.9° | 120.7° |
| N25 | C26 | C29 | 120.7° | 120.7° |
| N25 | C26 | H26 | 119.7° | 119.6° |
| N25 | C30 | C28 | 117.0° | 120.1° |
| N25 | C30 | O31 | 120.5° | 120.0° |
| C26 | C29 | C27 | 120.5° | 120.0° |
| C29 | C26 | H26 | 119.6° | 119.7° |
| C26 | C29 | H29 | 119.8° | 120.0° |
| C28 | C27 | C29 | 119.8° | 119.3° |
| C27 | C28 | C30 | 121.1° | 119.3° |
| C28 | C27 | H27 | 120.1° | 120.4° |
| C27 | C28 | H28 | 119.5° | 120.3° |
| C27 | C29 | H29 | 119.7° | 120.0° |
| C29 | C27 | H27 | 120.1° | 120.3° |
| C28 | C30 | O31 | 122.5° | 119.9° |
| C30 | C28 | H28 | 119.4° | 120.4° |
| C33 | C34 | F35 | 112.6° | 109.5° |
| C33 | C34 | F36 | 106.9° | 109.5° |
| C34 | C33 | H331 | 108.8° | 109.4° |
| C34 | C33 | H332 | 108.3° | 109.4° |
| C33 | C34 | H34 | 107.9° | 109.5° |
| F35 | C34 | F36 | 105.3° | 109.5° |
| F35 | C34 | H34 | 109.4° | 109.5° |
| F36 | C34 | H34 | 114.9° | 109.4° |
| H51C | C5 | H52C | 105.4° | 110.4° |
| H31C | C3 | H32C | 103.7° | 110.4° |
| H331 | C33 | H332 | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | C6 | 124.8° | 118.9° |
| C2 | C1 | C5 | H1 | 120.0° | 118.9° |
| C2 | C1 | C6 | H1 | 119.6° | 122.2° |
| C1 | C2 | C3 | C7 | 118.8° | 118.9° |
| C1 | C2 | C3 | H2 | 122.5° | 118.9° |
| C1 | C2 | C7 | H2 | 122.6° | 122.2° |
| C1 | C2 | C3 | N4 | 32.6° | 23.8° |
| C2 | C1 | C5 | N4 | 8.8° | 23.8° |
| C2 | C1 | C6 | O10 | 33.3° | 0.0° |
| C2 | C1 | C6 | N11 | 152.2° | 180.0° |
| C1 | C2 | C7 | N8 | 91.8° | 180.0° |
| C1 | C2 | C7 | O9 | 84.9° | 0.0° |
| C2 | C1 | C5 | H51C | 111.2° | 94.9° |
| C2 | C1 | C5 | H52C | 130.8° | 142.7° |
| C1 | C2 | C3 | H31C | 152.6° | 142.7° |
| C1 | C2 | C3 | H32C | 90.2° | 94.9° |
| C5 | C1 | C6 | H1 | 118.7° | 122.2° |
| C5 | C1 | C2 | C3 | 14.9° | 0.0° |
| C5 | C1 | C2 | C7 | 134.6° | 118.9° |
| C1 | C5 | N4 | C3 | 30.6° | 39.5° |
| C1 | C5 | N4 | H51C | 120.0° | 118.8° |
| C1 | C5 | N4 | H52C | 122.0° | 118.8° |
| C1 | C5 | N4 | C33 | 151.9° | 159.1° |
| C5 | C1 | C6 | O10 | 88.5° | 115.6° |
| C5 | C1 | C6 | N11 | 86.0° | 64.4° |
| C5 | C1 | C2 | H2 | 106.7° | 118.9° |
| C1 | C5 | H51C | H52C | 122.2° | 122.4° |
| C6 | C1 | C2 | C3 | 140.5° | 118.9° |
| C6 | C1 | C2 | C7 | 99.9° | 122.2° |
| C6 | C1 | C5 | N4 | 116.0° | 95.0° |
| C1 | C6 | O10 | N11 | 174.1° | 180.0° |
| C1 | C6 | N11 | C12 | 171.2° | 174.8° |
| C6 | C1 | C2 | H2 | 18.8° | 0.0° |
| C6 | C1 | C5 | H51C | 124.0° | 146.2° |
| C6 | C1 | C5 | H52C | 6.0° | 23.8° |
| C1 | C6 | N11 | H11 | 8.8° | 5.2° |
| C3 | C2 | C7 | H2 | 121.9° | 122.1° |
| C2 | C3 | N4 | H31C | 120.0° | 118.8° |
| C2 | C3 | N4 | H32C | 122.7° | 118.7° |
| C2 | C3 | N4 | C5 | 39.9° | 39.4° |
| C2 | C3 | N4 | C33 | 160.7° | 159.0° |
| C3 | C2 | C7 | N8 | 152.7° | 64.3° |
| C3 | C2 | C7 | O9 | 30.5° | 115.7° |
| C3 | C2 | C1 | H1 | 104.2° | 118.9° |
| C2 | C3 | H31C | H32C | 123.1° | 122.4° |
| C7 | C2 | C3 | N4 | 151.4° | 142.7° |
| C2 | C7 | N8 | O9 | 176.8° | 180.0° |
| C2 | C7 | N8 | C19 | 177.1° | 174.2° |
| C7 | C2 | C1 | H1 | 15.4° | 0.0° |
| C7 | C2 | C3 | H31C | 88.6° | 98.4° |
| C7 | C2 | C3 | H32C | 28.6° | 24.0° |
| C2 | C7 | N8 | H8 | 2.9° | 5.9° |
| C3 | N4 | C5 | C33 | 121.3° | 119.6° |
| C3 | N4 | C33 | C34 | 161.3° | 170.0° |
| N4 | C3 | C2 | H2 | 89.9° | 95.1° |
| C3 | N4 | C5 | H51C | 89.4° | 79.3° |
| C3 | N4 | C5 | H52C | 152.6° | 158.3° |
| N4 | C3 | H31C | H32C | 123.1° | 122.4° |
| C3 | N4 | C33 | H331 | 41.3° | 50.0° |
| C3 | N4 | C33 | H332 | 79.6° | 70.1° |
| C5 | N4 | C33 | C34 | 79.5° | 74.5° |
| N4 | C5 | C1 | H1 | 128.8° | 142.7° |
| N4 | C5 | H51C | H52C | 122.2° | 122.4° |
| C5 | N4 | C3 | H31C | 159.9° | 158.3° |
| C5 | N4 | C3 | H32C | 82.9° | 79.3° |
| C5 | N4 | C33 | H331 | 160.5° | 165.5° |
| C5 | N4 | C33 | H332 | 39.6° | 45.4° |
| N4 | C33 | C34 | H331 | 120.0° | 120.0° |
| N4 | C33 | C34 | H332 | 119.1° | 120.0° |
| N4 | C33 | C34 | F35 | 52.9° | 60.0° |
| N4 | C33 | C34 | F36 | 62.2° | 60.0° |
| C33 | N4 | C5 | H51C | 31.9° | 40.3° |
| C33 | N4 | C5 | H52C | 86.2° | 82.1° |
| C33 | N4 | C3 | H31C | 79.3° | 82.1° |
| C33 | N4 | C3 | H32C | 38.0° | 40.3° |
| N4 | C33 | H331 | H332 | 119.2° | 120.1° |
| N4 | C33 | C34 | H34 | 173.7° | 180.0° |
| O10 | C6 | N11 | C12 | 14.3° | 5.2° |
| O10 | C6 | C1 | H1 | 152.8° | 122.2° |
| O10 | C6 | N11 | H11 | 165.7° | 174.7° |
| C6 | N11 | C12 | H11 | 180.0° | 180.0° |
| C6 | N11 | C12 | N13 | 21.7° | 5.0° |
| C6 | N11 | C12 | C17 | 169.6° | 174.8° |
| N11 | C6 | C1 | H1 | 32.7° | 57.8° |
| C7 | N8 | C19 | H8 | 180.0° | 179.9° |
| C7 | N8 | C19 | C20 | 46.2° | 33.9° |
| C7 | N8 | C19 | C24 | 135.5° | 146.5° |
| N8 | C7 | C2 | H2 | 30.8° | 57.8° |
| O9 | C7 | N8 | C19 | 6.1° | 5.8° |
| O9 | C7 | C2 | H2 | 152.4° | 122.2° |
| O9 | C7 | N8 | H8 | 173.9° | 174.1° |
| N8 | C19 | C20 | C24 | 178.1° | 179.6° |
| N8 | C19 | C20 | C23 | 177.6° | 180.0° |
| N8 | C19 | C24 | C22 | 174.6° | 180.0° |
| N8 | C19 | C24 | F32 | 0.2° | 0.1° |
| N8 | C19 | C20 | H20 | 2.4° | 0.1° |
| N11 | C12 | N13 | C17 | 168.7° | 179.8° |
| N11 | C12 | N13 | C16 | 171.7° | 180.0° |
| N11 | C12 | C17 | C15 | 171.5° | 180.0° |
| N11 | C12 | C17 | H17 | 8.5° | 0.1° |
| C12 | N13 | C16 | C14 | 2.2° | 0.0° |
| N13 | C12 | C17 | C15 | 2.9° | 0.3° |
| N13 | C12 | N11 | H11 | 158.3° | 175.0° |
| N13 | C12 | C17 | H17 | 177.1° | 179.7° |
| C12 | N13 | C16 | H16 | 177.8° | 180.0° |
| C17 | C12 | N13 | C16 | 3.1° | 0.2° |
| C12 | C17 | C15 | C14 | 1.8° | 0.0° |
| C12 | C17 | C15 | H17 | 180.0° | 180.0° |
| C17 | C12 | N11 | H11 | 10.4° | 5.2° |
| C12 | C17 | C15 | H15 | 178.2° | 179.7° |
| N13 | C16 | C14 | C15 | 1.1° | 0.3° |
| N13 | C16 | C14 | H16 | 180.0° | 180.0° |
| N13 | C16 | C14 | CL1 | 175.9° | 180.0° |
| C15 | C14 | C16 | CL1 | 177.0° | 179.8° |
| C14 | C15 | C17 | H15 | 180.0° | 179.7° |
| C14 | C15 | C17 | H17 | 178.2° | 179.9° |
| C15 | C14 | C16 | H16 | 178.9° | 179.7° |
| C16 | C14 | C15 | C17 | 1.0° | 0.2° |
| C16 | C14 | C15 | H15 | 179.0° | 180.0° |
| CL1 | C14 | C15 | C17 | 176.1° | 180.0° |
| CL1 | C14 | C16 | H16 | 4.0° | 0.0° |
| CL1 | C14 | C15 | H15 | 3.9° | 0.3° |
| C19 | C20 | C23 | H20 | 180.0° | 179.9° |
| C19 | C20 | C23 | C21 | 2.3° | 0.1° |
| C20 | C19 | C24 | C22 | 3.8° | 0.4° |
| C20 | C19 | C24 | F32 | 178.5° | 179.7° |
| C20 | C19 | N8 | H8 | 133.8° | 146.2° |
| C19 | C20 | C23 | H23 | 177.6° | 180.0° |
| C24 | C19 | C20 | C23 | 0.5° | 0.4° |
| C19 | C24 | C22 | C21 | 3.9° | 0.1° |
| C19 | C24 | C22 | F32 | 174.8° | 179.9° |
| C24 | C19 | N8 | H8 | 44.5° | 33.4° |
| C24 | C19 | C20 | H20 | 179.5° | 179.7° |
| C19 | C24 | C22 | H22 | 176.0° | 179.8° |
| C20 | C23 | C21 | C22 | 2.1° | 0.2° |
| C20 | C23 | C21 | H23 | 180.0° | 180.0° |
| C20 | C23 | C21 | N25 | 179.7° | 180.0° |
| C22 | C21 | C23 | N25 | 178.2° | 179.7° |
| C21 | C22 | C24 | H22 | 180.0° | 179.8° |
| C21 | C22 | C24 | F32 | 178.7° | 180.0° |
| C22 | C21 | N25 | C26 | 105.6° | 56.1° |
| C22 | C21 | N25 | C30 | 73.8° | 123.7° |
| C22 | C21 | C23 | H23 | 177.9° | 179.7° |
| C23 | C21 | C22 | C24 | 1.0° | 0.2° |
| C23 | C21 | N25 | C26 | 76.2° | 123.7° |
| C23 | C21 | N25 | C30 | 104.5° | 56.6° |
| C21 | C23 | C20 | H20 | 177.6° | 180.0° |
| C23 | C21 | C22 | H22 | 178.9° | 179.9° |
| N25 | C21 | C22 | C24 | 177.2° | 180.0° |
| C21 | N25 | C26 | C30 | 179.3° | 179.8° |
| C21 | N25 | C26 | C29 | 178.5° | 179.9° |
| C21 | N25 | C30 | C28 | 178.8° | 180.0° |
| C21 | N25 | C30 | O31 | 0.3° | 0.1° |
| N25 | C21 | C23 | H23 | 0.3° | 0.0° |
| N25 | C21 | C22 | H22 | 2.8° | 0.2° |
| C21 | N25 | C26 | H26 | 1.5° | 0.0° |
| F32 | C24 | C22 | H22 | 1.2° | 0.2° |
| N25 | C26 | C29 | H26 | 180.0° | 179.9° |
| N25 | C26 | C29 | C27 | 0.9° | 0.1° |
| C26 | N25 | C30 | C28 | 0.5° | 0.2° |
| C26 | N25 | C30 | O31 | 179.0° | 179.7° |
| N25 | C26 | C29 | H29 | 179.1° | 180.0° |
| C30 | N25 | C26 | C29 | 0.8° | 0.3° |
| N25 | C30 | C28 | C27 | 0.3° | 0.1° |
| N25 | C30 | C28 | O31 | 178.5° | 179.9° |
| C30 | N25 | C26 | H26 | 179.2° | 179.8° |
| N25 | C30 | C28 | H28 | 179.7° | 179.8° |
| C26 | C29 | C27 | C28 | 0.7° | 0.2° |
| C26 | C29 | C27 | H29 | 180.0° | 180.0° |
| C26 | C29 | C27 | H27 | 179.3° | 179.9° |
| C28 | C27 | C29 | H27 | 180.0° | 179.7° |
| C27 | C28 | C30 | H28 | 180.0° | 179.7° |
| C27 | C28 | C30 | O31 | 178.8° | 180.0° |
| C28 | C27 | C29 | H29 | 179.3° | 179.7° |
| C29 | C27 | C28 | C30 | 0.4° | 0.3° |
| C27 | C29 | C26 | H26 | 179.0° | 180.0° |
| C29 | C27 | C28 | H28 | 179.6° | 180.0° |
| C30 | C28 | C27 | H27 | 179.6° | 180.0° |
| O31 | C30 | C28 | H28 | 1.2° | 0.3° |
| C33 | C34 | F35 | F36 | 116.1° | 120.0° |
| C33 | C34 | F35 | H34 | 120.0° | 120.1° |
| C33 | C34 | F36 | H34 | 119.7° | 120.0° |
| C34 | C33 | H331 | H332 | 119.2° | 119.9° |
| F35 | C34 | F36 | H34 | 120.4° | 120.0° |
| F35 | C34 | C33 | H331 | 172.9° | 180.0° |
| F35 | C34 | C33 | H332 | 66.2° | 60.0° |
| F36 | C34 | C33 | H331 | 57.8° | 60.0° |
| F36 | C34 | C33 | H332 | 178.7° | 180.0° |
| H1 | C1 | C2 | H2 | 134.1° | 122.2° |
| H1 | C1 | C5 | H51C | 8.8° | 24.0° |
| H1 | C1 | C5 | H52C | 109.3° | 98.4° |
| H2 | C2 | C3 | H31C | 30.1° | 23.7° |
| H2 | C2 | C3 | H32C | 147.4° | 146.1° |
| H331 | C33 | C34 | H34 | 66.3° | 60.0° |
| H332 | C33 | C34 | H34 | 54.6° | 60.0° |
| H17 | C17 | C15 | H15 | 1.8° | 0.3° |
| H20 | C20 | C23 | H23 | 2.4° | 0.0° |
| H26 | C26 | C29 | H29 | 0.9° | 0.1° |
| H29 | C29 | C27 | H27 | 0.7° | 0.0° |
| H27 | C27 | C28 | H28 | 0.4° | 0.3° |
