BWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| F39 | C36 | sing | 1.40Å | 1.33Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | N13 | sing | 1.47Å | 1.48Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C30 | sing | 1.48Å | 1.50Å | |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| O40 | C31 | sing | 1.36Å | 1.39Å | |
| O40 | C41 | sing | 1.43Å | 1.43Å | |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| F37 | C36 | sing | 1.40Å | 1.32Å | |
| F44 | C42 | sing | 1.40Å | 1.32Å | |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C36 | sing | 1.51Å | 1.49Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C36 | F38 | sing | 1.40Å | 1.32Å | |
| F43 | C42 | sing | 1.40Å | 1.34Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | F46 | sing | 1.40Å | 1.32Å | |
| N13 | C12 | sing | 1.35Å | 1.36Å | |
| N13 | C15 | sing | 1.46Å | 1.49Å | |
| C11 | C12 | sing | 1.42Å | 1.47Å | |
| C11 | C8 | doub | 1.34Å | 1.36Å | |
| C12 | O14 | doub | 1.22Å | 1.23Å | |
| O9 | C8 | sing | 1.35Å | 1.34Å | |
| C1 | O2 | doub | 1.22Å | 1.25Å | |
| C1 | N3 | sing | 1.35Å | 1.35Å | |
| C8 | C4 | sing | 1.51Å | 1.50Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| C16 | N17 | sing | 1.47Å | 1.52Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| N17 | C18 | sing | 1.47Å | 1.51Å | |
| N17 | C21 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.35Å | 1.51Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C24 | 119.7° | 120.1° |
| C29 | C28 | C27 | 120.7° | 119.9° |
| C29 | C28 | H30 | 119.6° | 120.0° |
| C28 | C29 | H31 | 120.2° | 120.0° |
| C29 | C24 | C23 | 122.3° | 119.9° |
| C29 | C24 | C25 | 118.8° | 120.2° |
| C24 | C29 | H31 | 120.2° | 119.9° |
| C28 | C27 | C30 | 122.1° | 120.1° |
| C28 | C27 | C26 | 119.1° | 119.7° |
| C27 | C28 | H30 | 119.7° | 120.1° |
| F39 | C36 | F37 | 109.7° | 109.5° |
| F39 | C36 | C33 | 106.7° | 109.5° |
| F39 | C36 | F38 | 113.3° | 109.4° |
| C24 | C23 | N13 | 111.3° | 109.5° |
| C23 | C24 | C25 | 118.9° | 119.8° |
| C24 | C23 | H26 | 109.0° | 109.5° |
| C24 | C23 | H27 | 109.0° | 109.5° |
| C23 | N13 | C12 | 121.2° | 120.0° |
| C23 | N13 | C15 | 115.8° | 120.0° |
| N13 | C23 | H26 | 109.0° | 109.5° |
| N13 | C23 | H27 | 109.0° | 109.5° |
| C24 | C25 | C26 | 121.3° | 120.1° |
| C24 | C25 | H28 | 119.3° | 120.0° |
| C30 | C27 | C26 | 118.8° | 120.1° |
| C27 | C30 | C35 | 118.9° | 120.1° |
| C27 | C30 | C31 | 121.0° | 120.1° |
| C27 | C26 | C25 | 120.4° | 119.9° |
| C27 | C26 | H29 | 119.8° | 120.0° |
| C35 | C30 | C31 | 120.1° | 119.7° |
| C30 | C35 | C34 | 119.6° | 119.9° |
| C30 | C35 | H34 | 120.2° | 120.1° |
| C30 | C31 | O40 | 120.8° | 120.1° |
| C30 | C31 | C32 | 119.8° | 119.7° |
| C31 | O40 | C41 | 125.5° | 117.0° |
| O40 | C31 | C32 | 119.4° | 120.1° |
| O40 | C41 | C42 | 108.9° | 109.5° |
| O40 | C41 | H35 | 109.6° | 109.5° |
| O40 | C41 | H36 | 109.6° | 109.5° |
| C35 | C34 | C33 | 120.1° | 120.2° |
| C35 | C34 | H33 | 120.0° | 119.8° |
| C34 | C35 | H34 | 120.2° | 120.0° |
| C31 | C32 | C33 | 119.4° | 120.1° |
| C31 | C32 | H32 | 120.3° | 120.0° |
| C34 | C33 | C32 | 121.0° | 120.3° |
| C34 | C33 | C36 | 119.9° | 119.9° |
| C33 | C34 | H33 | 120.0° | 119.9° |
| F37 | C36 | C33 | 110.7° | 109.5° |
| F37 | C36 | F38 | 108.3° | 109.5° |
| F44 | C42 | C41 | 109.0° | 109.5° |
| F44 | C42 | F43 | 113.8° | 109.5° |
| F44 | C42 | F46 | 104.8° | 109.5° |
| C32 | C33 | C36 | 119.1° | 119.8° |
| C33 | C32 | H32 | 120.3° | 119.9° |
| C33 | C36 | F38 | 108.3° | 109.5° |
| C41 | C42 | F43 | 107.4° | 109.5° |
| C41 | C42 | F46 | 111.2° | 109.5° |
| C42 | C41 | H35 | 109.6° | 109.4° |
| C42 | C41 | H36 | 109.6° | 109.5° |
| F43 | C42 | F46 | 110.7° | 109.5° |
| C26 | C25 | H28 | 119.4° | 119.9° |
| C25 | C26 | H29 | 119.8° | 120.1° |
| C12 | N13 | C15 | 123.0° | 120.0° |
| N13 | C12 | C11 | 117.2° | 120.0° |
| N13 | C12 | O14 | 124.3° | 120.0° |
| N13 | C15 | C16 | 112.2° | 109.5° |
| N13 | C15 | H11 | 108.8° | 109.5° |
| N13 | C15 | H12 | 108.8° | 109.5° |
| C12 | C11 | C8 | 123.8° | 120.0° |
| C11 | C12 | O14 | 118.6° | 120.0° |
| C12 | C11 | H10 | 118.1° | 120.0° |
| C11 | C8 | O9 | 118.6° | 120.0° |
| C11 | C8 | C4 | 124.8° | 120.0° |
| C8 | C11 | H10 | 118.1° | 120.0° |
| O9 | C8 | C4 | 116.5° | 120.0° |
| C8 | O9 | H9 | 109.5° | 117.0° |
| O2 | C1 | N3 | 118.5° | 120.0° |
| O2 | C1 | O1 | 125.4° | 120.0° |
| C1 | N3 | C4 | 125.1° | 125.6° |
| C1 | N3 | C7 | 125.4° | 125.7° |
| N3 | C1 | O1 | 116.0° | 120.0° |
| C8 | C4 | N3 | 116.9° | 109.9° |
| C8 | C4 | C5 | 98.3° | 109.9° |
| C8 | C4 | H2 | 113.0° | 110.0° |
| C4 | N3 | C7 | 109.5° | 108.7° |
| N3 | C4 | C5 | 100.5° | 107.3° |
| N3 | C4 | H2 | 113.6° | 109.9° |
| N3 | C7 | C6 | 104.1° | 104.9° |
| N3 | C7 | H7 | 110.8° | 110.4° |
| N3 | C7 | H8 | 110.8° | 110.4° |
| C15 | C16 | N17 | 120.4° | 109.5° |
| C16 | C15 | H11 | 108.8° | 109.5° |
| C16 | C15 | H12 | 108.8° | 109.5° |
| C15 | C16 | H13 | 106.7° | 109.5° |
| C15 | C16 | H14 | 106.7° | 109.5° |
| C4 | C5 | C6 | 104.4° | 102.9° |
| C5 | C4 | H2 | 112.7° | 109.9° |
| C4 | C5 | H3 | 110.7° | 110.8° |
| C4 | C5 | H4 | 110.7° | 110.7° |
| C7 | C6 | C5 | 105.4° | 101.7° |
| C7 | C6 | H5 | 110.5° | 111.1° |
| C7 | C6 | H6 | 110.5° | 110.9° |
| C6 | C7 | H7 | 110.8° | 110.4° |
| C6 | C7 | H8 | 110.8° | 110.2° |
| C16 | N17 | C18 | 117.7° | 111.0° |
| C16 | N17 | C21 | 110.6° | 111.0° |
| N17 | C16 | H13 | 106.7° | 109.5° |
| N17 | C16 | H14 | 106.7° | 109.5° |
| C6 | C5 | H3 | 110.7° | 110.7° |
| C6 | C5 | H4 | 110.7° | 110.7° |
| C5 | C6 | H5 | 110.5° | 111.0° |
| C5 | C6 | H6 | 110.5° | 111.0° |
| C19 | C18 | N17 | 118.4° | 109.4° |
| C19 | C18 | H16 | 107.2° | 109.5° |
| C19 | C18 | H17 | 107.2° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.4° |
| C18 | C19 | H20 | 109.4° | 109.5° |
| C18 | N17 | C21 | 114.4° | 111.0° |
| N17 | C18 | H16 | 107.2° | 109.5° |
| N17 | C18 | H17 | 107.2° | 109.5° |
| N17 | C21 | C22 | 116.1° | 109.5° |
| N17 | C21 | H21 | 107.8° | 109.4° |
| N17 | C21 | H22 | 107.8° | 109.5° |
| C22 | C21 | H21 | 107.8° | 109.4° |
| C22 | C21 | H22 | 107.8° | 109.5° |
| C21 | C22 | H23 | 109.5° | 109.4° |
| C21 | C22 | H24 | 109.5° | 109.5° |
| C21 | C22 | H25 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 110.8° |
| H5 | C6 | H6 | 109.5° | 110.9° |
| H7 | C7 | H8 | 109.5° | 110.4° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H23 | C22 | H25 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H35 | C41 | H36 | 109.5° | 109.5° |
| C1 | O1 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C24 | H31 | 180.0° | 179.5° |
| C29 | C28 | C27 | H30 | 180.0° | 179.8° |
| C28 | C29 | C24 | C23 | 178.9° | 179.8° |
| C28 | C29 | C24 | C25 | 0.3° | 0.5° |
| C29 | C28 | C27 | C30 | 179.0° | 179.8° |
| C29 | C28 | C27 | C26 | 0.9° | 0.3° |
| C24 | C29 | C28 | C27 | 0.4° | 0.5° |
| C29 | C24 | C23 | C25 | 179.1° | 179.7° |
| C29 | C24 | C23 | N13 | 149.5° | 90.3° |
| C29 | C24 | C25 | C26 | 0.4° | 0.2° |
| C29 | C24 | C23 | H26 | 90.2° | 149.7° |
| C29 | C24 | C23 | H27 | 29.3° | 29.7° |
| C29 | C24 | C25 | H28 | 179.6° | 179.8° |
| C24 | C29 | C28 | H30 | 179.6° | 179.7° |
| C28 | C27 | C30 | C26 | 178.1° | 180.0° |
| C28 | C27 | C30 | C35 | 47.0° | 130.0° |
| C28 | C27 | C30 | C31 | 131.3° | 49.8° |
| C28 | C27 | C26 | C25 | 0.7° | 0.0° |
| C28 | C27 | C26 | H29 | 179.2° | 180.0° |
| C27 | C28 | C29 | H31 | 179.6° | 180.0° |
| F39 | C36 | C33 | C34 | 50.5° | 30.0° |
| F39 | C36 | F37 | C33 | 117.4° | 120.0° |
| F39 | C36 | F37 | F38 | 124.1° | 120.0° |
| F39 | C36 | C33 | C32 | 129.0° | 150.0° |
| F39 | C36 | C33 | F38 | 122.3° | 120.0° |
| C24 | C23 | N13 | H26 | 120.3° | 120.0° |
| C24 | C23 | N13 | H27 | 120.3° | 120.0° |
| C23 | C24 | C25 | C26 | 178.8° | 180.0° |
| C24 | C23 | N13 | C12 | 107.1° | 90.0° |
| C24 | C23 | N13 | C15 | 72.1° | 90.0° |
| C24 | C23 | H26 | H27 | 119.1° | 120.0° |
| C23 | C24 | C25 | H28 | 1.2° | 0.0° |
| C23 | C24 | C29 | H31 | 1.1° | 0.3° |
| N13 | C23 | C24 | C25 | 29.6° | 90.0° |
| C23 | N13 | C12 | C15 | 179.2° | 180.0° |
| C23 | N13 | C12 | C11 | 95.0° | 180.0° |
| C23 | N13 | C12 | O14 | 86.0° | 0.0° |
| C23 | N13 | C15 | C16 | 128.0° | 90.0° |
| C23 | N13 | C15 | H11 | 111.6° | 30.0° |
| C23 | N13 | C15 | H12 | 7.6° | 150.0° |
| N13 | C23 | H26 | H27 | 119.2° | 120.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C24 | C25 | C26 | H28 | 180.0° | 180.0° |
| C25 | C24 | C23 | H26 | 90.7° | 30.0° |
| C25 | C24 | C23 | H27 | 149.9° | 150.0° |
| C24 | C25 | C26 | H29 | 179.9° | 180.0° |
| C25 | C24 | C29 | H31 | 179.8° | 180.0° |
| C27 | C30 | C35 | C31 | 178.3° | 179.8° |
| C27 | C30 | C31 | O40 | 0.9° | 0.1° |
| C27 | C30 | C35 | C34 | 178.7° | 179.7° |
| C27 | C30 | C31 | C32 | 178.4° | 180.0° |
| C30 | C27 | C26 | C25 | 178.9° | 179.9° |
| C30 | C27 | C26 | H29 | 1.1° | 0.0° |
| C30 | C27 | C28 | H30 | 1.0° | 0.0° |
| C27 | C30 | C35 | H34 | 1.3° | 0.1° |
| C26 | C27 | C30 | C35 | 134.9° | 50.0° |
| C26 | C27 | C30 | C31 | 46.8° | 130.2° |
| C27 | C26 | C25 | H29 | 180.0° | 179.9° |
| C27 | C26 | C25 | H28 | 179.9° | 180.0° |
| C26 | C27 | C28 | H30 | 179.1° | 180.0° |
| C35 | C30 | C31 | O40 | 179.1° | 179.7° |
| C30 | C35 | C34 | H34 | 180.0° | 179.8° |
| C35 | C30 | C31 | C32 | 0.2° | 0.2° |
| C30 | C35 | C34 | C33 | 0.2° | 0.5° |
| C30 | C35 | C34 | H33 | 179.8° | 179.7° |
| C30 | C31 | O40 | C32 | 179.3° | 179.9° |
| C30 | C31 | O40 | C41 | 168.8° | 180.0° |
| C31 | C30 | C35 | C34 | 0.4° | 0.5° |
| C30 | C31 | C32 | C33 | 0.3° | 0.1° |
| C30 | C31 | C32 | H32 | 179.7° | 180.0° |
| C31 | C30 | C35 | H34 | 179.6° | 179.8° |
| O40 | C31 | C32 | C33 | 179.6° | 180.0° |
| C31 | O40 | C41 | C42 | 155.8° | 180.0° |
| O40 | C31 | C32 | H32 | 0.4° | 0.1° |
| C31 | O40 | C41 | H35 | 35.9° | 60.1° |
| C31 | O40 | C41 | H36 | 84.3° | 59.9° |
| C41 | O40 | C31 | C32 | 11.9° | 0.1° |
| O40 | C41 | C42 | F44 | 27.6° | 60.0° |
| O40 | C41 | C42 | H35 | 119.9° | 120.0° |
| O40 | C41 | C42 | H36 | 119.9° | 120.1° |
| O40 | C41 | C42 | F43 | 151.3° | 180.0° |
| O40 | C41 | C42 | F46 | 87.5° | 60.0° |
| O40 | C41 | H35 | H36 | 120.3° | 120.1° |
| C35 | C34 | C33 | H33 | 180.0° | 179.8° |
| C35 | C34 | C33 | C32 | 0.3° | 0.2° |
| C35 | C34 | C33 | C36 | 179.8° | 179.8° |
| C31 | C32 | C33 | C34 | 0.6° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C36 | 179.9° | 179.9° |
| C34 | C33 | C36 | F37 | 169.8° | 150.0° |
| C34 | C33 | C32 | C36 | 179.5° | 180.0° |
| C34 | C33 | C36 | F38 | 71.7° | 90.0° |
| C34 | C33 | C32 | H32 | 179.4° | 180.0° |
| C33 | C34 | C35 | H34 | 179.8° | 179.7° |
| F37 | C36 | C33 | C32 | 9.7° | 30.0° |
| F37 | C36 | C33 | F38 | 118.5° | 120.0° |
| F44 | C42 | C41 | F43 | 123.7° | 120.0° |
| F44 | C42 | C41 | F46 | 115.1° | 120.0° |
| F44 | C42 | F43 | F46 | 117.7° | 120.0° |
| F44 | C42 | C41 | H35 | 147.5° | 180.0° |
| F44 | C42 | C41 | H36 | 92.3° | 60.0° |
| C32 | C33 | C36 | F38 | 108.8° | 90.0° |
| C32 | C33 | C34 | H33 | 179.7° | 180.0° |
| C36 | C33 | C32 | H32 | 0.1° | 0.0° |
| C36 | C33 | C34 | H33 | 0.2° | 0.0° |
| C41 | C42 | F43 | F46 | 121.6° | 120.0° |
| C42 | C41 | H35 | H36 | 120.3° | 120.0° |
| F43 | C42 | C41 | H35 | 88.8° | 60.0° |
| F43 | C42 | C41 | H36 | 31.4° | 59.9° |
| F46 | C42 | C41 | H35 | 32.4° | 60.0° |
| F46 | C42 | C41 | H36 | 152.7° | 180.0° |
| N13 | C12 | C11 | O14 | 179.1° | 180.0° |
| N13 | C12 | C11 | C8 | 172.2° | 172.4° |
| C12 | N13 | C15 | C16 | 51.2° | 90.0° |
| N13 | C12 | C11 | H10 | 7.8° | 7.6° |
| C12 | N13 | C15 | H11 | 69.2° | 150.0° |
| C12 | N13 | C15 | H12 | 171.6° | 30.0° |
| C12 | N13 | C23 | H26 | 13.2° | 150.0° |
| C12 | N13 | C23 | H27 | 132.7° | 30.0° |
| C15 | N13 | C12 | C11 | 85.9° | 0.0° |
| C15 | N13 | C12 | O14 | 93.2° | 180.0° |
| N13 | C15 | C16 | H11 | 120.4° | 120.0° |
| N13 | C15 | C16 | H12 | 120.4° | 120.0° |
| N13 | C15 | C16 | N17 | 149.1° | 180.0° |
| N13 | C15 | H11 | H12 | 118.8° | 120.0° |
| N13 | C15 | C16 | H13 | 89.3° | 60.0° |
| N13 | C15 | C16 | H14 | 27.6° | 60.0° |
| C15 | N13 | C23 | H26 | 167.6° | 30.0° |
| C15 | N13 | C23 | H27 | 48.1° | 150.0° |
| C12 | C11 | C8 | H10 | 180.0° | 180.0° |
| C12 | C11 | C8 | O9 | 177.8° | 167.5° |
| C12 | C11 | C8 | C4 | 1.4° | 12.5° |
| C8 | C11 | C12 | O14 | 6.9° | 7.6° |
| C11 | C8 | O9 | C4 | 176.7° | 180.0° |
| C11 | C8 | C4 | N3 | 158.2° | 146.6° |
| C11 | C8 | C4 | C5 | 95.5° | 95.7° |
| C11 | C8 | C4 | H2 | 23.6° | 25.4° |
| C11 | C8 | O9 | H9 | 180.0° | 0.0° |
| O14 | C12 | C11 | H10 | 173.1° | 172.4° |
| O9 | C8 | C4 | N3 | 25.3° | 33.4° |
| O9 | C8 | C4 | C5 | 81.0° | 84.3° |
| O9 | C8 | C4 | H2 | 160.0° | 154.6° |
| O9 | C8 | C11 | H10 | 2.2° | 12.4° |
| O2 | C1 | N3 | O1 | 177.5° | 179.8° |
| O2 | C1 | N3 | C4 | 65.7° | 0.0° |
| O2 | C1 | N3 | C7 | 112.9° | 179.7° |
| O2 | C1 | O1 | H1 | 0.0° | 0.1° |
| C1 | N3 | C4 | C8 | 115.8° | 61.7° |
| C1 | N3 | C4 | C7 | 178.8° | 179.7° |
| C1 | N3 | C4 | C5 | 139.3° | 178.9° |
| C1 | N3 | C7 | C6 | 153.7° | 155.9° |
| C1 | N3 | C4 | H2 | 18.7° | 59.4° |
| C1 | N3 | C7 | H7 | 34.6° | 37.0° |
| C1 | N3 | C7 | H8 | 87.1° | 85.3° |
| N3 | C1 | O1 | H1 | 177.3° | 179.7° |
| C8 | C4 | N3 | C5 | 104.9° | 119.4° |
| C8 | C4 | N3 | H2 | 134.4° | 121.2° |
| C8 | C4 | N3 | C7 | 65.4° | 118.6° |
| C8 | C4 | C5 | H2 | 119.3° | 121.2° |
| C8 | C4 | C5 | C6 | 82.0° | 141.6° |
| C8 | C4 | C5 | H3 | 37.2° | 23.3° |
| C8 | C4 | C5 | H4 | 158.8° | 100.1° |
| C4 | C8 | O9 | H9 | 3.3° | 180.0° |
| C4 | C8 | C11 | H10 | 178.6° | 167.6° |
| N3 | C4 | C5 | H2 | 121.2° | 119.5° |
| C4 | N3 | C7 | C6 | 25.1° | 23.8° |
| N3 | C4 | C5 | C6 | 37.5° | 22.2° |
| N3 | C4 | C5 | H3 | 156.7° | 96.1° |
| N3 | C4 | C5 | H4 | 81.7° | 140.6° |
| C4 | N3 | C7 | H7 | 144.2° | 142.7° |
| C4 | N3 | C7 | H8 | 94.1° | 95.0° |
| C4 | N3 | C1 | O1 | 116.8° | 179.7° |
| C7 | N3 | C4 | C5 | 39.5° | 0.8° |
| N3 | C7 | C6 | H7 | 119.1° | 118.9° |
| N3 | C7 | C6 | H8 | 119.1° | 118.8° |
| N3 | C7 | C6 | C5 | 0.0° | 36.7° |
| C7 | N3 | C4 | H2 | 160.2° | 120.3° |
| N3 | C7 | C6 | H5 | 119.4° | 154.9° |
| N3 | C7 | C6 | H6 | 119.3° | 81.4° |
| N3 | C7 | H7 | H8 | 122.5° | 122.3° |
| C7 | N3 | C1 | O1 | 64.6° | 0.1° |
| C15 | C16 | N17 | H13 | 121.5° | 120.0° |
| C15 | C16 | N17 | H14 | 121.5° | 120.0° |
| C15 | C16 | N17 | C18 | 36.7° | 66.1° |
| C15 | C16 | N17 | C21 | 170.7° | 170.0° |
| C16 | C15 | H11 | H12 | 118.8° | 120.0° |
| C15 | C16 | H13 | H14 | 115.1° | 120.0° |
| C4 | C5 | C6 | C7 | 23.5° | 35.4° |
| C4 | C5 | C6 | H3 | 119.2° | 118.4° |
| C4 | C5 | C6 | H4 | 119.2° | 118.3° |
| C4 | C5 | H3 | H4 | 122.3° | 123.3° |
| C4 | C5 | C6 | H5 | 142.9° | 153.6° |
| C4 | C5 | C6 | H6 | 95.8° | 82.6° |
| C7 | C6 | C5 | H5 | 119.4° | 118.2° |
| C7 | C6 | C5 | H6 | 119.4° | 118.0° |
| C7 | C6 | C5 | H3 | 142.7° | 83.0° |
| C7 | C6 | C5 | H4 | 95.7° | 153.7° |
| C7 | C6 | H5 | H6 | 121.9° | 123.7° |
| C6 | C7 | H7 | H8 | 122.5° | 122.1° |
| C16 | N17 | C18 | C19 | 51.3° | 163.9° |
| C16 | N17 | C18 | C21 | 132.3° | 123.9° |
| C16 | N17 | C21 | C22 | 122.6° | 75.4° |
| N17 | C16 | C15 | H11 | 28.8° | 60.0° |
| N17 | C16 | C15 | H12 | 90.4° | 60.0° |
| N17 | C16 | H13 | H14 | 115.1° | 120.0° |
| C16 | N17 | C18 | H16 | 172.6° | 43.9° |
| C16 | N17 | C18 | H17 | 70.0° | 76.1° |
| C16 | N17 | C21 | H21 | 116.4° | 164.6° |
| C16 | N17 | C21 | H22 | 1.6° | 44.7° |
| C6 | C5 | C4 | H2 | 158.7° | 97.2° |
| C6 | C5 | H3 | H4 | 122.3° | 123.2° |
| C5 | C6 | H5 | H6 | 121.9° | 123.9° |
| C5 | C6 | C7 | H7 | 119.1° | 155.6° |
| C5 | C6 | C7 | H8 | 119.2° | 82.1° |
| C19 | C18 | N17 | H16 | 121.3° | 120.0° |
| C19 | C18 | N17 | H17 | 121.3° | 120.0° |
| C19 | C18 | N17 | C21 | 81.1° | 72.2° |
| C19 | C18 | H16 | H17 | 115.9° | 120.0° |
| C18 | C19 | H18 | H19 | 120.0° | 119.9° |
| C18 | C19 | H18 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C18 | N17 | C21 | C22 | 13.1° | 160.7° |
| C18 | N17 | C16 | H13 | 158.2° | 54.0° |
| C18 | N17 | C16 | H14 | 84.8° | 173.9° |
| N17 | C18 | H16 | H17 | 116.0° | 120.1° |
| N17 | C18 | C19 | H18 | 180.0° | 178.6° |
| N17 | C18 | C19 | H19 | 60.0° | 58.6° |
| N17 | C18 | C19 | H20 | 60.0° | 61.4° |
| C18 | N17 | C21 | H21 | 107.9° | 40.8° |
| C18 | N17 | C21 | H22 | 134.0° | 79.2° |
| N17 | C21 | C22 | H21 | 121.0° | 119.9° |
| N17 | C21 | C22 | H22 | 121.0° | 120.1° |
| C21 | N17 | C16 | H13 | 67.7° | 69.9° |
| C21 | N17 | C16 | H14 | 49.2° | 50.0° |
| C21 | N17 | C18 | H16 | 40.2° | 167.8° |
| C21 | N17 | C18 | H17 | 157.7° | 47.8° |
| N17 | C21 | H21 | H22 | 117.0° | 120.0° |
| N17 | C21 | C22 | H23 | 180.0° | 55.7° |
| N17 | C21 | C22 | H24 | 60.0° | 64.3° |
| N17 | C21 | C22 | H25 | 60.0° | 175.7° |
| C22 | C21 | H21 | H22 | 117.0° | 120.0° |
| C21 | C22 | H23 | H24 | 120.0° | 120.0° |
| C21 | C22 | H23 | H25 | 120.0° | 120.0° |
| C21 | C22 | H24 | H25 | 120.0° | 120.0° |
| H2 | C4 | C5 | H3 | 82.1° | 144.4° |
| H2 | C4 | C5 | H4 | 39.5° | 21.1° |
| H3 | C5 | C6 | H5 | 97.9° | 35.2° |
| H3 | C5 | C6 | H6 | 23.4° | 159.0° |
| H4 | C5 | C6 | H5 | 23.7° | 88.1° |
| H4 | C5 | C6 | H6 | 145.0° | 35.7° |
| H5 | C6 | C7 | H7 | 0.3° | 86.2° |
| H5 | C6 | C7 | H8 | 121.4° | 36.1° |
| H6 | C6 | C7 | H7 | 121.6° | 37.5° |
| H6 | C6 | C7 | H8 | 0.2° | 159.8° |
| H11 | C15 | C16 | H13 | 150.3° | 180.0° |
| H11 | C15 | C16 | H14 | 92.8° | 60.0° |
| H12 | C15 | C16 | H13 | 31.1° | 60.0° |
| H12 | C15 | C16 | H14 | 148.0° | 180.0° |
| H16 | C18 | C19 | H18 | 58.7° | 61.4° |
| H16 | C18 | C19 | H19 | 61.3° | 178.6° |
| H16 | C18 | C19 | H20 | 178.7° | 58.6° |
| H17 | C18 | C19 | H18 | 58.7° | 58.6° |
| H17 | C18 | C19 | H19 | 178.7° | 61.4° |
| H17 | C18 | C19 | H20 | 61.3° | 178.6° |
| H18 | C19 | H19 | H20 | 120.0° | 120.1° |
| H21 | C21 | C22 | H23 | 59.0° | 175.6° |
| H21 | C21 | C22 | H24 | 179.0° | 55.6° |
| H21 | C21 | C22 | H25 | 61.0° | 64.4° |
| H22 | C21 | C22 | H23 | 59.0° | 64.4° |
| H22 | C21 | C22 | H24 | 61.0° | 175.6° |
| H22 | C21 | C22 | H25 | 179.0° | 55.6° |
| H23 | C22 | H24 | H25 | 120.0° | 120.0° |
| H28 | C25 | C26 | H29 | 0.1° | 0.0° |
| H30 | C28 | C29 | H31 | 0.4° | 0.2° |
| H33 | C34 | C35 | H34 | 0.2° | 0.1° |
