BGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.21Å | 1.26Å | |
| C1 | C17 | sing | 1.51Å | 1.55Å | |
| C1 | N18 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | C17 | sing | 1.53Å | 1.57Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | H41A | sing | 1.09Å | 1.11Å | |
| C4 | H42A | sing | 1.09Å | 1.11Å | |
| C5 | O6 | doub | 1.21Å | 1.25Å | |
| C5 | O7 | sing | 1.34Å | 1.28Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| C8 | O9 | doub | 1.22Å | 1.26Å | |
| C8 | C10 | sing | 1.48Å | 1.51Å | |
| C8 | N16 | sing | 1.35Å | 1.38Å | |
| C10 | C11 | doub | 1.40Å | 1.49Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.48Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.47Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C14 | doub | 1.38Å | 1.47Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C15 | doub | 1.38Å | 1.47Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.47Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| N16 | C17 | sing | 1.47Å | 1.52Å | |
| N16 | H16 | sing | 0.97Å | 1.02Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| N18 | C19 | sing | 1.46Å | 1.47Å | |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C22 | sing | 1.53Å | 1.56Å | |
| C19 | H19 | sing | 1.09Å | 1.12Å | |
| C20 | O21 | doub | 1.21Å | 1.23Å | |
| C20 | N36 | sing | 1.35Å | 1.33Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | doub | 1.38Å | 1.45Å | Aromatic |
| C23 | C26 | sing | 1.38Å | 1.48Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.45Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C28 | doub | 1.38Å | 1.48Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.45Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.48Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.60Å | |
| C29 | F30 | sing | 1.40Å | 1.41Å | |
| C29 | F31 | sing | 1.40Å | 1.43Å | |
| C29 | P32 | sing | 1.82Å | 1.61Å | |
| P32 | O33 | doub | 1.48Å | 1.59Å | |
| P32 | O34 | sing | 1.61Å | 1.58Å | |
| P32 | O35 | sing | 1.61Å | 1.59Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| N36 | C37 | sing | 1.46Å | 1.48Å | |
| N36 | H36 | sing | 0.97Å | 1.02Å | |
| C37 | C38 | sing | 1.53Å | 1.58Å | |
| C37 | C52 | sing | 1.51Å | 1.57Å | |
| C37 | H37 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C42 | sing | 1.38Å | 1.47Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.46Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C44 | doub | 1.38Å | 1.46Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | C43 | doub | 1.38Å | 1.48Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | sing | 1.38Å | 1.48Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.51Å | 1.59Å | |
| C45 | F46 | sing | 1.40Å | 1.41Å | |
| C45 | F47 | sing | 1.40Å | 1.38Å | |
| C45 | P48 | sing | 1.82Å | 1.60Å | |
| P48 | O49 | doub | 1.48Å | 1.57Å | |
| P48 | O50 | sing | 1.61Å | 1.57Å | |
| P48 | O51 | sing | 1.61Å | 1.54Å | |
| O50 | H50 | sing | 0.97Å | 0.95Å | |
| O51 | H51 | sing | 0.97Å | 0.95Å | |
| C52 | O53 | doub | 1.21Å | 1.26Å | |
| C52 | N54 | sing | 1.35Å | 1.25Å | |
| N54 | H541 | sing | 0.97Å | 1.02Å | |
| N54 | H542 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C17 | 121.7° | 120.0° |
| O2 | C1 | N18 | 124.3° | 120.0° |
| C17 | C1 | N18 | 114.0° | 120.0° |
| C1 | C17 | C3 | 108.6° | 109.5° |
| C1 | C17 | N16 | 111.5° | 109.4° |
| C1 | C17 | H17 | 108.4° | 109.5° |
| C1 | N18 | C19 | 126.7° | 120.0° |
| C1 | N18 | H18 | 111.1° | 120.0° |
| C4 | C3 | C17 | 114.1° | 109.5° |
| C4 | C3 | H31 | 110.5° | 109.5° |
| C4 | C3 | H32 | 110.5° | 109.4° |
| C3 | C4 | C5 | 112.8° | 109.5° |
| C3 | C4 | H41A | 111.0° | 109.5° |
| C3 | C4 | H42A | 111.0° | 109.4° |
| C17 | C3 | H31 | 110.5° | 109.5° |
| C17 | C3 | H32 | 110.5° | 109.5° |
| C3 | C17 | N16 | 108.7° | 109.5° |
| C3 | C17 | H17 | 111.3° | 109.5° |
| H31 | C3 | H32 | 99.8° | 109.5° |
| C5 | C4 | H41A | 111.0° | 109.5° |
| C5 | C4 | H42A | 111.0° | 109.5° |
| C4 | C5 | O6 | 118.8° | 120.0° |
| C4 | C5 | O7 | 121.9° | 120.0° |
| H41A | C4 | H42A | 99.4° | 109.5° |
| O6 | C5 | O7 | 119.3° | 120.0° |
| C5 | O7 | H7 | 121.9° | 119.9° |
| O9 | C8 | C10 | 119.0° | 120.0° |
| O9 | C8 | N16 | 119.2° | 120.0° |
| C10 | C8 | N16 | 121.8° | 120.0° |
| C8 | C10 | C11 | 121.1° | 120.2° |
| C8 | C10 | C12 | 121.0° | 120.1° |
| C8 | N16 | C17 | 123.5° | 120.0° |
| C8 | N16 | H16 | 113.2° | 120.1° |
| C11 | C10 | C12 | 117.8° | 119.7° |
| C10 | C11 | C13 | 121.5° | 119.9° |
| C10 | C11 | H11 | 119.7° | 120.1° |
| C10 | C12 | C14 | 120.2° | 119.9° |
| C10 | C12 | H12 | 120.3° | 120.1° |
| C13 | C11 | H11 | 118.8° | 120.0° |
| C11 | C13 | C15 | 120.0° | 120.1° |
| C11 | C13 | H13 | 120.3° | 119.9° |
| C14 | C12 | H12 | 119.5° | 120.0° |
| C12 | C14 | C15 | 121.5° | 120.1° |
| C12 | C14 | H14 | 119.2° | 120.0° |
| C15 | C13 | H13 | 119.7° | 119.9° |
| C13 | C15 | C14 | 119.1° | 120.3° |
| C13 | C15 | H15 | 120.3° | 119.9° |
| C15 | C14 | H14 | 119.3° | 119.9° |
| C14 | C15 | H15 | 120.6° | 119.8° |
| C17 | N16 | H16 | 123.4° | 120.0° |
| N16 | C17 | H17 | 108.3° | 109.4° |
| C19 | N18 | H18 | 122.2° | 120.0° |
| N18 | C19 | C20 | 103.8° | 109.4° |
| N18 | C19 | C22 | 112.6° | 109.5° |
| N18 | C19 | H19 | 110.5° | 109.5° |
| C20 | C19 | C22 | 107.1° | 109.5° |
| C20 | C19 | H19 | 115.6° | 109.4° |
| C19 | C20 | O21 | 118.5° | 120.0° |
| C19 | C20 | N36 | 119.7° | 120.0° |
| C22 | C19 | H19 | 107.3° | 109.5° |
| C19 | C22 | C23 | 117.9° | 109.5° |
| C19 | C22 | H221 | 109.2° | 109.4° |
| C19 | C22 | H222 | 109.1° | 109.5° |
| O21 | C20 | N36 | 121.9° | 120.0° |
| C20 | N36 | C37 | 121.0° | 120.0° |
| C20 | N36 | H36 | 114.1° | 120.0° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| C23 | C22 | H222 | 109.2° | 109.5° |
| C22 | C23 | C24 | 118.6° | 120.0° |
| C22 | C23 | C26 | 122.3° | 120.0° |
| H221 | C22 | H222 | 100.9° | 109.5° |
| C24 | C23 | C26 | 119.0° | 120.0° |
| C23 | C24 | C25 | 121.4° | 120.0° |
| C23 | C24 | H24 | 119.4° | 120.0° |
| C23 | C26 | C27 | 119.8° | 120.0° |
| C23 | C26 | H26 | 120.9° | 120.0° |
| C25 | C24 | H24 | 119.2° | 120.0° |
| C24 | C25 | C28 | 120.6° | 120.0° |
| C24 | C25 | H25 | 118.7° | 120.0° |
| C28 | C25 | H25 | 120.7° | 120.0° |
| C25 | C28 | C27 | 117.7° | 120.0° |
| C25 | C28 | C29 | 120.1° | 120.0° |
| C27 | C26 | H26 | 119.3° | 120.0° |
| C26 | C27 | C28 | 121.5° | 120.0° |
| C26 | C27 | H27 | 118.2° | 120.0° |
| C28 | C27 | H27 | 120.3° | 120.0° |
| C27 | C28 | C29 | 122.3° | 120.0° |
| C28 | C29 | F30 | 105.8° | 109.5° |
| C28 | C29 | F31 | 109.2° | 109.5° |
| C28 | C29 | P32 | 121.1° | 109.5° |
| F30 | C29 | F31 | 107.0° | 109.5° |
| F30 | C29 | P32 | 106.3° | 109.5° |
| F31 | C29 | P32 | 106.7° | 109.4° |
| C29 | P32 | O33 | 108.9° | 109.5° |
| C29 | P32 | O34 | 111.7° | 109.5° |
| C29 | P32 | O35 | 111.5° | 109.4° |
| O33 | P32 | O34 | 107.1° | 109.5° |
| O33 | P32 | O35 | 108.8° | 109.5° |
| O34 | P32 | O35 | 108.7° | 109.5° |
| P32 | O34 | H34 | 111.7° | 106.8° |
| P32 | O35 | H35 | 111.5° | 106.8° |
| C37 | N36 | H36 | 124.9° | 120.0° |
| N36 | C37 | C38 | 105.0° | 109.5° |
| N36 | C37 | C52 | 112.1° | 109.5° |
| N36 | C37 | H37 | 111.7° | 109.5° |
| C38 | C37 | C52 | 112.2° | 109.4° |
| C38 | C37 | H37 | 111.6° | 109.5° |
| C37 | C38 | C39 | 120.6° | 109.5° |
| C37 | C38 | H381 | 108.2° | 109.5° |
| C37 | C38 | H382 | 108.2° | 109.5° |
| C52 | C37 | H37 | 104.4° | 109.4° |
| C37 | C52 | O53 | 119.1° | 119.9° |
| C37 | C52 | N54 | 119.0° | 120.0° |
| C39 | C38 | H381 | 108.2° | 109.5° |
| C39 | C38 | H382 | 108.2° | 109.5° |
| C38 | C39 | C40 | 117.4° | 120.0° |
| C38 | C39 | C42 | 123.6° | 120.0° |
| H381 | C38 | H382 | 101.7° | 109.5° |
| C40 | C39 | C42 | 119.0° | 120.0° |
| C39 | C40 | C41 | 121.9° | 120.0° |
| C39 | C40 | H40 | 117.8° | 120.0° |
| C39 | C42 | C43 | 120.0° | 120.0° |
| C39 | C42 | H42 | 119.7° | 120.0° |
| C41 | C40 | H40 | 120.4° | 120.0° |
| C40 | C41 | C44 | 121.6° | 120.0° |
| C40 | C41 | H41 | 118.9° | 120.0° |
| C44 | C41 | H41 | 119.5° | 120.1° |
| C41 | C44 | C43 | 117.0° | 120.0° |
| C41 | C44 | C45 | 119.4° | 120.0° |
| C43 | C42 | H42 | 120.3° | 120.0° |
| C42 | C43 | C44 | 120.6° | 120.0° |
| C42 | C43 | H43 | 119.6° | 120.0° |
| C44 | C43 | H43 | 119.8° | 120.0° |
| C43 | C44 | C45 | 123.6° | 120.0° |
| C44 | C45 | F46 | 111.3° | 109.5° |
| C44 | C45 | F47 | 109.5° | 109.5° |
| C44 | C45 | P48 | 114.7° | 109.4° |
| F46 | C45 | F47 | 105.2° | 109.5° |
| F46 | C45 | P48 | 105.4° | 109.4° |
| F47 | C45 | P48 | 110.2° | 109.5° |
| C45 | P48 | O49 | 112.5° | 109.5° |
| C45 | P48 | O50 | 110.5° | 109.4° |
| C45 | P48 | O51 | 108.6° | 109.5° |
| O49 | P48 | O50 | 106.8° | 109.4° |
| O49 | P48 | O51 | 108.9° | 109.5° |
| O50 | P48 | O51 | 109.5° | 109.5° |
| P48 | O50 | H50 | 110.5° | 106.8° |
| P48 | O51 | H51 | 108.6° | 106.8° |
| O53 | C52 | N54 | 121.9° | 120.0° |
| C52 | N54 | H541 | 119.0° | 120.0° |
| C52 | N54 | H542 | 121.9° | 120.0° |
| H541 | N54 | H542 | 119.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C17 | N18 | 178.9° | 180.0° |
| O2 | C1 | C17 | C3 | 125.7° | 120.0° |
| O2 | C1 | C17 | N16 | 114.6° | 0.0° |
| O2 | C1 | C17 | H17 | 4.6° | 120.0° |
| O2 | C1 | N18 | C19 | 0.2° | 0.0° |
| O2 | C1 | N18 | H18 | 179.8° | 180.0° |
| C1 | C17 | C3 | C4 | 57.3° | 175.0° |
| C1 | C17 | C3 | N16 | 121.5° | 120.0° |
| C1 | C17 | C3 | H17 | 119.3° | 120.1° |
| C1 | C17 | C3 | H31 | 177.4° | 65.0° |
| C1 | C17 | C3 | H32 | 67.9° | 55.0° |
| C1 | C17 | N16 | C8 | 94.2° | 155.0° |
| C1 | C17 | N16 | H17 | 119.3° | 120.0° |
| C1 | C17 | N16 | H16 | 85.8° | 25.0° |
| C17 | C1 | N18 | C19 | 178.7° | 180.0° |
| C17 | C1 | N18 | H18 | 1.3° | 0.0° |
| N18 | C1 | C17 | C3 | 55.5° | 60.0° |
| N18 | C1 | C17 | N16 | 64.3° | 180.0° |
| N18 | C1 | C17 | H17 | 176.6° | 60.0° |
| C1 | N18 | C19 | H18 | 180.0° | 180.0° |
| C1 | N18 | C19 | C20 | 132.5° | 155.0° |
| C1 | N18 | C19 | C22 | 112.1° | 85.0° |
| C1 | N18 | C19 | H19 | 7.9° | 35.0° |
| C4 | C3 | C17 | H31 | 125.3° | 120.0° |
| C4 | C3 | C17 | H32 | 125.2° | 120.0° |
| C4 | C3 | H31 | H32 | 116.4° | 120.0° |
| C3 | C4 | C5 | H41A | 125.3° | 120.0° |
| C3 | C4 | C5 | H42A | 125.2° | 119.9° |
| C3 | C4 | H41A | H42A | 116.8° | 120.0° |
| C3 | C4 | C5 | O6 | 121.5° | 0.0° |
| C3 | C4 | C5 | O7 | 59.8° | 180.0° |
| C4 | C3 | C17 | N16 | 178.8° | 65.0° |
| C4 | C3 | C17 | H17 | 62.0° | 55.0° |
| C17 | C3 | H31 | H32 | 116.4° | 120.0° |
| C17 | C3 | C4 | C5 | 70.4° | 180.0° |
| C17 | C3 | C4 | H41A | 54.8° | 60.0° |
| C17 | C3 | C4 | H42A | 164.3° | 60.0° |
| C3 | C17 | N16 | C8 | 146.1° | 85.0° |
| C3 | C17 | N16 | H17 | 121.1° | 120.0° |
| C3 | C17 | N16 | H16 | 33.9° | 95.0° |
| H31 | C3 | C4 | C5 | 54.8° | 60.0° |
| H31 | C3 | C4 | H41A | 179.9° | 180.0° |
| H31 | C3 | C4 | H42A | 70.4° | 60.0° |
| H31 | C3 | C17 | N16 | 55.9° | 55.0° |
| H31 | C3 | C17 | H17 | 63.3° | 175.0° |
| H32 | C3 | C4 | C5 | 164.3° | 60.0° |
| H32 | C3 | C4 | H41A | 70.4° | 60.0° |
| H32 | C3 | C4 | H42A | 39.1° | 180.0° |
| H32 | C3 | C17 | N16 | 53.6° | 175.0° |
| H32 | C3 | C17 | H17 | 172.8° | 65.0° |
| C5 | C4 | H41A | H42A | 116.9° | 120.0° |
| C4 | C5 | O6 | O7 | 178.7° | 180.0° |
| C4 | C5 | O7 | H7 | 180.0° | 180.0° |
| H41A | C4 | C5 | O6 | 113.2° | 120.0° |
| H41A | C4 | C5 | O7 | 65.4° | 59.9° |
| H42A | C4 | C5 | O6 | 3.7° | 120.0° |
| H42A | C4 | C5 | O7 | 174.9° | 60.1° |
| O6 | C5 | O7 | H7 | 1.3° | 0.1° |
| O9 | C8 | C10 | N16 | 179.2° | 179.9° |
| O9 | C8 | C10 | C11 | 0.1° | 0.0° |
| O9 | C8 | C10 | C12 | 179.6° | 179.8° |
| O9 | C8 | N16 | C17 | 1.2° | 0.0° |
| O9 | C8 | N16 | H16 | 178.8° | 180.0° |
| C8 | C10 | C11 | C12 | 179.7° | 179.7° |
| C8 | C10 | C11 | C13 | 179.5° | 180.0° |
| C8 | C10 | C11 | H11 | 0.5° | 0.1° |
| C8 | C10 | C12 | C14 | 179.5° | 179.8° |
| C8 | C10 | C12 | H12 | 0.4° | 0.3° |
| C10 | C8 | N16 | C17 | 178.0° | 180.0° |
| C10 | C8 | N16 | H16 | 2.0° | 0.1° |
| N16 | C8 | C10 | C11 | 179.3° | 180.0° |
| N16 | C8 | C10 | C12 | 0.3° | 0.3° |
| C8 | N16 | C17 | H16 | 180.0° | 180.0° |
| C8 | N16 | C17 | H17 | 25.1° | 35.0° |
| C10 | C11 | C13 | H11 | 180.0° | 179.9° |
| C11 | C10 | C12 | C14 | 0.1° | 0.5° |
| C11 | C10 | C12 | H12 | 179.9° | 180.0° |
| C10 | C11 | C13 | C15 | 0.1° | 0.0° |
| C10 | C11 | C13 | H13 | 179.8° | 180.0° |
| C12 | C10 | C11 | C13 | 0.2° | 0.3° |
| C12 | C10 | C11 | H11 | 179.8° | 179.8° |
| C10 | C12 | C14 | H12 | 180.0° | 179.5° |
| C10 | C12 | C14 | C15 | 0.0° | 0.5° |
| C10 | C12 | C14 | H14 | 180.0° | 179.8° |
| C11 | C13 | C15 | H13 | 180.0° | 179.9° |
| C11 | C13 | C15 | C14 | 0.0° | 0.0° |
| C11 | C13 | C15 | H15 | 180.0° | 180.0° |
| H11 | C11 | C13 | C15 | 179.9° | 179.9° |
| H11 | C11 | C13 | H13 | 0.1° | 0.1° |
| C12 | C14 | C15 | C13 | 0.1° | 0.3° |
| C12 | C14 | C15 | H14 | 180.0° | 179.7° |
| C12 | C14 | C15 | H15 | 179.9° | 179.8° |
| H12 | C12 | C14 | C15 | 180.0° | 180.0° |
| H12 | C12 | C14 | H14 | 0.0° | 0.3° |
| C13 | C15 | C14 | H15 | 180.0° | 180.0° |
| C13 | C15 | C14 | H14 | 179.9° | 180.0° |
| H13 | C13 | C15 | C14 | 180.0° | 180.0° |
| H13 | C13 | C15 | H15 | 0.0° | 0.1° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H16 | N16 | C17 | H17 | 154.9° | 145.0° |
| N18 | C19 | C20 | C22 | 119.3° | 120.0° |
| N18 | C19 | C20 | H19 | 121.2° | 120.0° |
| N18 | C19 | C22 | H19 | 121.8° | 120.1° |
| N18 | C19 | C20 | O21 | 36.9° | 0.0° |
| N18 | C19 | C20 | N36 | 142.6° | 180.0° |
| N18 | C19 | C22 | C23 | 70.2° | 65.0° |
| N18 | C19 | C22 | H221 | 164.5° | 55.0° |
| N18 | C19 | C22 | H222 | 55.1° | 175.0° |
| H18 | N18 | C19 | C20 | 47.6° | 25.0° |
| H18 | N18 | C19 | C22 | 67.9° | 95.0° |
| H18 | N18 | C19 | H19 | 172.1° | 145.0° |
| C20 | C19 | C22 | H19 | 124.8° | 119.9° |
| C19 | C20 | O21 | N36 | 179.5° | 179.9° |
| C20 | C19 | C22 | C23 | 176.4° | 175.0° |
| C20 | C19 | C22 | H221 | 51.1° | 65.0° |
| C20 | C19 | C22 | H222 | 58.3° | 55.0° |
| C19 | C20 | N36 | C37 | 179.2° | 180.0° |
| C19 | C20 | N36 | H36 | 0.8° | 0.1° |
| C22 | C19 | C20 | O21 | 82.4° | 120.0° |
| C22 | C19 | C20 | N36 | 98.1° | 59.9° |
| C19 | C22 | C23 | H221 | 125.3° | 120.0° |
| C19 | C22 | C23 | H222 | 125.3° | 120.0° |
| C19 | C22 | H221 | H222 | 114.9° | 120.0° |
| C19 | C22 | C23 | C24 | 157.7° | 90.0° |
| C19 | C22 | C23 | C26 | 22.3° | 90.3° |
| H19 | C19 | C20 | O21 | 158.0° | 120.0° |
| H19 | C19 | C20 | N36 | 21.5° | 60.1° |
| H19 | C19 | C22 | C23 | 51.6° | 55.1° |
| H19 | C19 | C22 | H221 | 73.7° | 175.0° |
| H19 | C19 | C22 | H222 | 176.9° | 64.9° |
| O21 | C20 | N36 | C37 | 0.3° | 0.0° |
| O21 | C20 | N36 | H36 | 179.7° | 180.0° |
| C20 | N36 | C37 | H36 | 180.0° | 180.0° |
| C20 | N36 | C37 | C38 | 134.7° | 155.0° |
| C20 | N36 | C37 | C52 | 103.2° | 85.1° |
| C20 | N36 | C37 | H37 | 13.6° | 35.0° |
| C23 | C22 | H221 | H222 | 114.9° | 120.0° |
| C22 | C23 | C24 | C26 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 179.9° | 180.0° |
| C22 | C23 | C24 | H24 | 0.1° | 0.1° |
| C22 | C23 | C26 | C27 | 180.0° | 179.8° |
| C22 | C23 | C26 | H26 | 0.0° | 0.2° |
| H221 | C22 | C23 | C24 | 77.0° | 30.0° |
| H221 | C22 | C23 | C26 | 103.0° | 149.7° |
| H222 | C22 | C23 | C24 | 32.5° | 150.0° |
| H222 | C22 | C23 | C26 | 147.6° | 29.7° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C28 | 0.0° | 0.1° |
| C23 | C24 | C25 | H25 | 180.0° | 179.9° |
| C24 | C23 | C26 | C27 | 0.0° | 0.5° |
| C24 | C23 | C26 | H26 | 180.0° | 179.9° |
| C26 | C23 | C24 | C25 | 0.0° | 0.3° |
| C26 | C23 | C24 | H24 | 179.9° | 179.8° |
| C23 | C26 | C27 | H26 | 180.0° | 179.5° |
| C23 | C26 | C27 | C28 | 0.1° | 0.5° |
| C23 | C26 | C27 | H27 | 179.9° | 179.7° |
| C24 | C25 | C28 | H25 | 180.0° | 180.0° |
| C24 | C25 | C28 | C27 | 0.1° | NaN° |
| C24 | C25 | C28 | C29 | 179.8° | 180.0° |
| H24 | C24 | C25 | C28 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| C25 | C28 | C27 | C26 | 0.2° | 0.2° |
| C25 | C28 | C27 | C29 | 179.6° | 180.0° |
| C25 | C28 | C27 | H27 | 179.8° | 180.0° |
| C25 | C28 | C29 | F30 | 113.9° | 146.9° |
| C25 | C28 | C29 | F31 | 0.9° | 26.9° |
| C25 | C28 | C29 | P32 | 125.3° | 93.1° |
| H25 | C25 | C28 | C27 | 179.9° | 180.0° |
| H25 | C25 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 179.8° | 179.8° |
| H26 | C26 | C27 | C28 | 179.9° | 180.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.2° |
| C27 | C28 | C29 | F30 | 65.7° | 33.1° |
| C27 | C28 | C29 | F31 | 179.4° | 153.1° |
| C27 | C28 | C29 | P32 | 55.1° | 87.0° |
| H27 | C27 | C28 | C29 | 0.2° | 0.0° |
| C28 | C29 | F30 | F31 | 116.4° | 120.0° |
| C28 | C29 | F30 | P32 | 129.9° | 120.0° |
| C28 | C29 | F31 | P32 | 132.5° | 120.0° |
| C28 | C29 | P32 | O33 | 174.3° | 176.5° |
| C28 | C29 | P32 | O34 | 67.6° | 63.5° |
| C28 | C29 | P32 | O35 | 54.2° | 56.5° |
| F30 | C29 | F31 | P32 | 113.4° | 120.0° |
| F30 | C29 | P32 | O33 | 53.8° | 56.4° |
| F30 | C29 | P32 | O34 | 171.8° | 176.5° |
| F30 | C29 | P32 | O35 | 66.3° | 63.5° |
| F31 | C29 | P32 | O33 | 60.1° | 63.6° |
| F31 | C29 | P32 | O34 | 57.9° | 56.5° |
| F31 | C29 | P32 | O35 | 179.8° | 176.5° |
| C29 | P32 | O33 | O34 | 120.9° | 120.0° |
| C29 | P32 | O33 | O35 | 121.8° | 119.9° |
| C29 | P32 | O34 | O35 | 123.5° | 120.0° |
| C29 | P32 | O34 | H34 | 180.0° | 60.0° |
| C29 | P32 | O35 | H35 | 180.0° | 180.0° |
| O33 | P32 | O34 | O35 | 117.4° | 120.0° |
| O33 | P32 | O34 | H34 | 60.8° | 180.0° |
| O33 | P32 | O35 | H35 | 59.8° | 60.0° |
| O34 | P32 | O35 | H35 | 56.4° | 60.1° |
| O35 | P32 | O34 | H34 | 56.5° | 60.0° |
| N36 | C37 | C38 | C52 | 122.0° | 120.0° |
| N36 | C37 | C38 | H37 | 121.2° | 120.0° |
| N36 | C37 | C52 | H37 | 121.1° | 120.0° |
| N36 | C37 | C38 | C39 | 178.7° | 65.0° |
| N36 | C37 | C38 | H381 | 56.0° | 55.0° |
| N36 | C37 | C38 | H382 | 53.5° | 175.0° |
| N36 | C37 | C52 | O53 | 170.1° | 0.1° |
| N36 | C37 | C52 | N54 | 9.3° | 180.0° |
| H36 | N36 | C37 | C38 | 45.3° | 25.0° |
| H36 | N36 | C37 | C52 | 76.8° | 95.0° |
| H36 | N36 | C37 | H37 | 166.4° | 145.0° |
| C38 | C37 | C52 | H37 | 121.0° | 120.0° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.0° |
| C37 | C38 | H381 | H382 | 113.9° | 120.0° |
| C37 | C38 | C39 | C40 | 107.1° | 90.0° |
| C37 | C38 | C39 | C42 | 73.7° | 90.2° |
| C38 | C37 | C52 | O53 | 72.0° | 120.1° |
| C38 | C37 | C52 | N54 | 108.5° | 60.0° |
| C52 | C37 | C38 | C39 | 59.2° | 175.0° |
| C52 | C37 | C38 | H381 | 66.0° | 65.0° |
| C52 | C37 | C38 | H382 | 175.5° | 55.0° |
| C37 | C52 | O53 | N54 | 179.4° | 179.9° |
| C37 | C52 | N54 | H541 | 180.0° | 180.0° |
| C37 | C52 | N54 | H542 | 0.6° | 0.2° |
| H37 | C37 | C38 | C39 | 57.5° | 55.0° |
| H37 | C37 | C38 | H381 | 177.2° | 175.0° |
| H37 | C37 | C38 | H382 | 67.7° | 65.0° |
| H37 | C37 | C52 | O53 | 49.0° | 120.0° |
| H37 | C37 | C52 | N54 | 130.5° | 59.9° |
| C39 | C38 | H381 | H382 | 113.8° | 120.0° |
| C38 | C39 | C40 | C42 | 179.2° | 179.8° |
| C38 | C39 | C40 | C41 | 179.4° | 180.0° |
| C38 | C39 | C40 | H40 | 0.6° | 0.0° |
| C38 | C39 | C42 | C43 | 179.3° | 179.8° |
| C38 | C39 | C42 | H42 | 0.7° | 0.1° |
| H381 | C38 | C39 | C40 | 18.2° | 30.0° |
| H381 | C38 | C39 | C42 | 161.0° | 149.8° |
| H382 | C38 | C39 | C40 | 127.6° | 150.0° |
| H382 | C38 | C39 | C42 | 51.6° | 29.7° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C44 | 0.0° | 0.0° |
| C39 | C40 | C41 | H41 | 180.0° | 180.0° |
| C40 | C39 | C42 | C43 | 0.1° | 0.4° |
| C40 | C39 | C42 | H42 | 179.8° | 179.9° |
| C42 | C39 | C40 | C41 | 0.2° | 0.2° |
| C42 | C39 | C40 | H40 | 179.8° | 179.8° |
| C39 | C42 | C43 | H42 | 180.0° | 179.7° |
| C39 | C42 | C43 | C44 | 0.1° | 0.4° |
| C39 | C42 | C43 | H43 | 179.9° | 179.7° |
| C40 | C41 | C44 | H41 | 180.0° | 180.0° |
| C40 | C41 | C44 | C43 | 0.2° | 0.0° |
| C40 | C41 | C44 | C45 | 179.6° | 179.9° |
| H40 | C40 | C41 | C44 | 180.0° | 180.0° |
| H40 | C40 | C41 | H41 | 0.0° | 0.0° |
| C41 | C44 | C43 | C42 | 0.2° | 0.2° |
| C41 | C44 | C43 | C45 | 179.4° | 179.9° |
| C41 | C44 | C43 | H43 | 179.8° | 179.9° |
| C41 | C44 | C45 | F46 | 21.9° | 151.0° |
| C41 | C44 | C45 | F47 | 137.9° | 31.0° |
| C41 | C44 | C45 | P48 | 97.6° | 89.0° |
| H41 | C41 | C44 | C43 | 179.8° | 180.0° |
| H41 | C41 | C44 | C45 | 0.4° | 0.1° |
| C42 | C43 | C44 | H43 | 180.0° | 179.8° |
| C42 | C43 | C44 | C45 | 179.6° | 179.9° |
| H42 | C42 | C43 | C44 | 179.9° | 179.9° |
| H42 | C42 | C43 | H43 | 0.1° | 0.1° |
| C43 | C44 | C45 | F46 | 158.7° | 28.9° |
| C43 | C44 | C45 | F47 | 42.7° | 148.9° |
| C43 | C44 | C45 | P48 | 81.8° | 91.1° |
| H43 | C43 | C44 | C45 | 0.3° | 0.0° |
| C44 | C45 | F46 | F47 | 118.6° | 120.0° |
| C44 | C45 | F46 | P48 | 124.9° | 119.9° |
| C44 | C45 | F47 | P48 | 127.1° | 120.0° |
| C44 | C45 | P48 | O49 | 69.5° | 174.9° |
| C44 | C45 | P48 | O50 | 49.8° | 54.9° |
| C44 | C45 | P48 | O51 | 169.9° | 65.1° |
| F46 | C45 | F47 | P48 | 113.2° | 120.0° |
| F46 | C45 | P48 | O49 | 167.7° | 65.2° |
| F46 | C45 | P48 | O50 | 73.0° | 174.9° |
| F46 | C45 | P48 | O51 | 47.1° | 54.9° |
| F47 | C45 | P48 | O49 | 54.6° | 54.9° |
| F47 | C45 | P48 | O50 | 173.9° | 65.1° |
| F47 | C45 | P48 | O51 | 66.0° | 174.9° |
| C45 | P48 | O49 | O50 | 121.4° | 119.9° |
| C45 | P48 | O49 | O51 | 120.4° | 120.1° |
| C45 | P48 | O50 | O51 | 119.6° | 120.0° |
| C45 | P48 | O50 | H50 | 180.0° | 180.0° |
| C45 | P48 | O51 | H51 | 180.0° | 65.4° |
| O49 | P48 | O50 | O51 | 117.8° | 120.0° |
| O49 | P48 | O50 | H50 | 57.4° | 60.1° |
| O49 | P48 | O51 | H51 | 57.2° | 174.5° |
| O50 | P48 | O51 | H51 | 59.2° | 54.6° |
| O51 | P48 | O50 | H50 | 60.4° | 60.0° |
| O53 | C52 | N54 | H541 | 0.6° | 0.1° |
| O53 | C52 | N54 | H542 | 180.0° | 179.7° |
| C52 | N54 | H541 | H542 | 179.4° | 179.8° |
