YNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.48Å | 1.48Å | |
| N1 | C21 | sing | 1.35Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | N6 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | N6 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C9 | doub | 1.35Å | 1.30Å | Aromatic |
| N6 | N7 | sing | 1.28Å | 1.36Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.74Å | Aromatic |
| C8 | C19 | sing | 1.48Å | 1.48Å | |
| N10 | C11 | sing | 1.47Å | 1.49Å | |
| N10 | C13 | sing | 1.47Å | 1.50Å | |
| N10 | C19 | sing | 1.35Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C15 | sing | 1.50Å | 1.46Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C14 | N18 | sing | 1.33Å | 1.41Å | Aromatic |
| C15 | N16 | sing | 1.34Å | 1.39Å | Aromatic |
| N16 | N17 | sing | 1.29Å | 1.38Å | Aromatic |
| N17 | N18 | doub | 1.29Å | 1.30Å | Aromatic |
| C19 | O20 | doub | 1.22Å | 1.23Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C21 | O23 | sing | 1.35Å | 1.38Å | |
| O23 | C24 | sing | 1.45Å | 1.43Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C36 | sing | 1.51Å | 1.49Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O31 | sing | 1.36Å | 1.37Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| O31 | C32 | sing | 1.43Å | 1.39Å | |
| C32 | F33 | sing | 1.40Å | 1.34Å | |
| C32 | F34 | sing | 1.40Å | 1.32Å | |
| C32 | F35 | sing | 1.40Å | 1.33Å | |
| C11 | H44 | sing | 1.09Å | 1.10Å | |
| C11 | H45 | sing | 1.09Å | 1.10Å | |
| C13 | H49 | sing | 1.09Å | 1.10Å | |
| C13 | H48 | sing | 1.09Å | 1.10Å | |
| C24 | H52 | sing | 1.09Å | 1.10Å | |
| C24 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.08Å | 1.08Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.08Å | 1.08Å | |
| C12 | H46 | sing | 1.09Å | 1.10Å | |
| C12 | H47 | sing | 1.09Å | 1.10Å | |
| N16 | H50 | sing | 0.97Å | 1.00Å | |
| C29 | H54 | sing | 1.08Å | 1.08Å | |
| C30 | H55 | sing | 1.08Å | 1.08Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C4 | 116.2° | 117.8° |
| C2 | N1 | C21 | 119.8° | 121.1° |
| N1 | C2 | C3 | 110.1° | 109.2° |
| N1 | C2 | H38 | 109.3° | 109.5° |
| N1 | C2 | H37 | 109.3° | 109.5° |
| C4 | N1 | C21 | 123.1° | 121.1° |
| N1 | C4 | C5 | 111.3° | 107.0° |
| N1 | C4 | H42 | 109.0° | 109.9° |
| N1 | C4 | H41 | 109.0° | 110.0° |
| N1 | C21 | O22 | 123.1° | 120.0° |
| N1 | C21 | O23 | 116.0° | 120.0° |
| C2 | C3 | N6 | 109.0° | 109.3° |
| C3 | C2 | H38 | 109.3° | 109.5° |
| C3 | C2 | H37 | 109.3° | 109.5° |
| C2 | C3 | H39 | 109.6° | 109.5° |
| C2 | C3 | H40 | 109.6° | 109.5° |
| C3 | N6 | C5 | 123.7° | 124.3° |
| C3 | N6 | N7 | 122.8° | 126.1° |
| N6 | C3 | H39 | 109.6° | 109.5° |
| N6 | C3 | H40 | 109.6° | 109.6° |
| C4 | C5 | N6 | 122.2° | 124.5° |
| C4 | C5 | C9 | 124.5° | 127.7° |
| C5 | C4 | H42 | 109.0° | 110.0° |
| C5 | C4 | H41 | 109.0° | 109.9° |
| N6 | C5 | C9 | 112.9° | 107.9° |
| C5 | N6 | N7 | 113.6° | 109.6° |
| C5 | C9 | C8 | 98.8° | 105.3° |
| C5 | C9 | H43 | 130.6° | 127.4° |
| N6 | N7 | C8 | 107.4° | 110.3° |
| N7 | C8 | C9 | 103.8° | 107.0° |
| N7 | C8 | C19 | 124.3° | 126.5° |
| C9 | C8 | C19 | 127.1° | 126.5° |
| C8 | C9 | H43 | 130.6° | 127.3° |
| C8 | C19 | N10 | 119.3° | 120.0° |
| C8 | C19 | O20 | 119.5° | 120.0° |
| C11 | N10 | C13 | 115.3° | 118.4° |
| C11 | N10 | C19 | 116.8° | 120.8° |
| N10 | C11 | C12 | 112.0° | 109.2° |
| N10 | C11 | H44 | 108.9° | 109.5° |
| N10 | C11 | H45 | 108.9° | 109.5° |
| C13 | N10 | C19 | 122.3° | 120.8° |
| N10 | C13 | C14 | 110.5° | 107.2° |
| N10 | C13 | H49 | 109.2° | 109.9° |
| N10 | C13 | H48 | 109.2° | 110.0° |
| N10 | C19 | O20 | 121.2° | 120.0° |
| C11 | C12 | C15 | 104.5° | 108.8° |
| C12 | C11 | H44 | 108.8° | 109.5° |
| C12 | C11 | H45 | 108.8° | 109.5° |
| C11 | C12 | H46 | 110.7° | 109.6° |
| C11 | C12 | H47 | 110.7° | 109.6° |
| C12 | C15 | C14 | 123.5° | 124.7° |
| C12 | C15 | N16 | 130.8° | 129.1° |
| C15 | C12 | H46 | 110.7° | 109.5° |
| C15 | C12 | H47 | 110.7° | 109.6° |
| C13 | C14 | C15 | 124.2° | 123.9° |
| C13 | C14 | N18 | 128.4° | 129.3° |
| C14 | C13 | H49 | 109.2° | 109.9° |
| C14 | C13 | H48 | 109.2° | 109.9° |
| C15 | C14 | N18 | 107.3° | 106.9° |
| C14 | C15 | N16 | 105.7° | 106.3° |
| C14 | N18 | N17 | 108.8° | 108.6° |
| C15 | N16 | N17 | 108.4° | 108.1° |
| C15 | N16 | H50 | 125.8° | 126.0° |
| N16 | N17 | N18 | 109.8° | 110.3° |
| N17 | N16 | H50 | 125.8° | 126.0° |
| O22 | C21 | O23 | 121.0° | 120.0° |
| C21 | O23 | C24 | 115.8° | 117.0° |
| O23 | C24 | C25 | 111.0° | 109.5° |
| O23 | C24 | H52 | 109.1° | 109.5° |
| O23 | C24 | H51 | 109.1° | 109.5° |
| C24 | C25 | C26 | 116.2° | 119.9° |
| C24 | C25 | C30 | 124.5° | 119.9° |
| C25 | C24 | H52 | 109.1° | 109.4° |
| C25 | C24 | H51 | 109.1° | 109.5° |
| C26 | C25 | C30 | 119.3° | 120.1° |
| C25 | C26 | C27 | 120.5° | 120.1° |
| C25 | C26 | C36 | 121.6° | 120.0° |
| C25 | C30 | C29 | 120.8° | 120.1° |
| C25 | C30 | H55 | 119.6° | 120.0° |
| C27 | C26 | C36 | 118.0° | 119.9° |
| C26 | C27 | C28 | 119.7° | 119.9° |
| C26 | C27 | H53 | 120.1° | 120.0° |
| C26 | C36 | H58 | 109.5° | 109.5° |
| C26 | C36 | H56 | 109.5° | 109.5° |
| C26 | C36 | H57 | 109.5° | 109.5° |
| C27 | C28 | C29 | 121.7° | 119.9° |
| C27 | C28 | O31 | 117.1° | 120.1° |
| C28 | C27 | H53 | 120.1° | 120.0° |
| C29 | C28 | O31 | 121.2° | 120.1° |
| C28 | C29 | C30 | 118.0° | 119.9° |
| C28 | C29 | H54 | 121.0° | 120.0° |
| C28 | O31 | C32 | 122.8° | 117.0° |
| C30 | C29 | H54 | 121.0° | 120.1° |
| C29 | C30 | H55 | 119.6° | 120.0° |
| O31 | C32 | F33 | 112.2° | 109.5° |
| O31 | C32 | F34 | 105.9° | 109.5° |
| O31 | C32 | F35 | 113.8° | 109.5° |
| F33 | C32 | F34 | 110.1° | 109.5° |
| F33 | C32 | F35 | 106.3° | 109.5° |
| F34 | C32 | F35 | 108.5° | 109.4° |
| H44 | C11 | H45 | 109.4° | 109.5° |
| H49 | C13 | H48 | 109.5° | 109.8° |
| H52 | C24 | H51 | 109.5° | 109.5° |
| H38 | C2 | H37 | 109.5° | 109.5° |
| H39 | C3 | H40 | 109.5° | 109.5° |
| H42 | C4 | H41 | 109.5° | 110.0° |
| H46 | C12 | H47 | 109.4° | 109.7° |
| H58 | C36 | H56 | 109.5° | 109.5° |
| H58 | C36 | H57 | 109.4° | 109.4° |
| H56 | C36 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C4 | C21 | 169.4° | 179.8° |
| N1 | C2 | C3 | H38 | 120.1° | 120.0° |
| N1 | C2 | C3 | H37 | 120.1° | 119.9° |
| N1 | C2 | C3 | N6 | 49.5° | 46.6° |
| C2 | N1 | C4 | C5 | 40.5° | 42.7° |
| C2 | N1 | C21 | O22 | 168.6° | 0.1° |
| C2 | N1 | C21 | O23 | 12.3° | 180.0° |
| N1 | C2 | H38 | H37 | 119.7° | 120.1° |
| N1 | C2 | C3 | H39 | 70.5° | 166.5° |
| N1 | C2 | C3 | H40 | 169.4° | 73.4° |
| C2 | N1 | C4 | H42 | 79.8° | 162.1° |
| C2 | N1 | C4 | H41 | 160.8° | 76.7° |
| C4 | N1 | C2 | C3 | 61.0° | 63.8° |
| N1 | C4 | C5 | H42 | 120.3° | 119.3° |
| N1 | C4 | C5 | H41 | 120.3° | 119.4° |
| N1 | C4 | C5 | N6 | 12.5° | 10.4° |
| N1 | C4 | C5 | C9 | 159.7° | 169.6° |
| C4 | N1 | C21 | O22 | 0.5° | 179.7° |
| C4 | N1 | C21 | O23 | 178.6° | 0.2° |
| C4 | N1 | C2 | H38 | 178.9° | 56.2° |
| C4 | N1 | C2 | H37 | 59.1° | 176.3° |
| N1 | C4 | H42 | H41 | 119.2° | 121.2° |
| C21 | N1 | C2 | C3 | 129.2° | 116.0° |
| C21 | N1 | C4 | C5 | 150.1° | 137.1° |
| N1 | C21 | O22 | O23 | 179.1° | 179.9° |
| N1 | C21 | O23 | C24 | 77.9° | 179.9° |
| C21 | N1 | C2 | H38 | 9.1° | 124.0° |
| C21 | N1 | C2 | H37 | 110.7° | 3.9° |
| C21 | N1 | C4 | H42 | 89.7° | 17.7° |
| C21 | N1 | C4 | H41 | 29.8° | 103.5° |
| C2 | C3 | N6 | H39 | 119.9° | 119.9° |
| C2 | C3 | N6 | H40 | 119.9° | 120.0° |
| C2 | C3 | N6 | C5 | 25.1° | 19.2° |
| C2 | C3 | N6 | N7 | 154.8° | 161.1° |
| C3 | C2 | H38 | H37 | 119.7° | 120.1° |
| C2 | C3 | H39 | H40 | 120.2° | 120.1° |
| C3 | N6 | C5 | C4 | 7.0° | 0.7° |
| C3 | N6 | C5 | N7 | 179.9° | 179.8° |
| C3 | N6 | C5 | C9 | 166.0° | 179.3° |
| C3 | N6 | N7 | C8 | 179.8° | 179.4° |
| N6 | C3 | C2 | H38 | 169.6° | 73.4° |
| N6 | C3 | C2 | H37 | 70.6° | 166.5° |
| N6 | C3 | H39 | H40 | 120.2° | 120.1° |
| C4 | C5 | N6 | C9 | 173.0° | 180.0° |
| C4 | C5 | N6 | N7 | 173.0° | 179.5° |
| C4 | C5 | C9 | C8 | 169.5° | 179.7° |
| C5 | C4 | H42 | H41 | 119.1° | 121.2° |
| C4 | C5 | C9 | H43 | 10.5° | 0.3° |
| C5 | N6 | N7 | C8 | 0.1° | 0.4° |
| N6 | C5 | C9 | C8 | 17.7° | 0.3° |
| C5 | N6 | C3 | H39 | 94.8° | 139.1° |
| C5 | N6 | C3 | H40 | 145.1° | 100.9° |
| N6 | C5 | C4 | H42 | 107.8° | 129.7° |
| N6 | C5 | C4 | H41 | 132.8° | 109.0° |
| N6 | C5 | C9 | H43 | 162.3° | 179.8° |
| C9 | C5 | N6 | N7 | 14.0° | 0.4° |
| C5 | C9 | C8 | N7 | 17.3° | 0.1° |
| C5 | C9 | C8 | H43 | 180.0° | 179.9° |
| C5 | C9 | C8 | C19 | 173.3° | 179.8° |
| C9 | C5 | C4 | H42 | 80.1° | 50.3° |
| C9 | C5 | C4 | H41 | 39.4° | 71.0° |
| N6 | N7 | C8 | C9 | 10.0° | 0.2° |
| N6 | N7 | C8 | C19 | 166.8° | 179.9° |
| N7 | N6 | C3 | H39 | 85.3° | 41.2° |
| N7 | N6 | C3 | H40 | 34.9° | 78.9° |
| N7 | C8 | C9 | C19 | 155.9° | 179.9° |
| N7 | C8 | C19 | N10 | 46.8° | 6.5° |
| N7 | C8 | C19 | O20 | 133.3° | 173.5° |
| N7 | C8 | C9 | H43 | 162.7° | 180.0° |
| C9 | C8 | C19 | N10 | 104.6° | 173.4° |
| C9 | C8 | C19 | O20 | 75.4° | 6.6° |
| C8 | C19 | N10 | C11 | 42.5° | 176.6° |
| C8 | C19 | N10 | C13 | 165.1° | 3.5° |
| C8 | C19 | N10 | O20 | 179.9° | 179.9° |
| C19 | C8 | C9 | H43 | 6.7° | 0.1° |
| C11 | N10 | C13 | C19 | 152.7° | 180.0° |
| N10 | C11 | C12 | H44 | 120.4° | 119.9° |
| N10 | C11 | C12 | H45 | 120.4° | 120.0° |
| N10 | C11 | C12 | C15 | 58.7° | 45.1° |
| C11 | N10 | C13 | C14 | 24.8° | 44.3° |
| C11 | N10 | C19 | O20 | 137.4° | 3.5° |
| N10 | C11 | H44 | H45 | 118.9° | 120.1° |
| C11 | N10 | C13 | H49 | 145.0° | 163.7° |
| C11 | N10 | C13 | H48 | 95.4° | 75.3° |
| N10 | C11 | C12 | H46 | 177.9° | 164.9° |
| N10 | C11 | C12 | H47 | 60.5° | 74.7° |
| C13 | N10 | C11 | C12 | 59.6° | 64.3° |
| N10 | C13 | C14 | H49 | 120.2° | 119.4° |
| N10 | C13 | C14 | H48 | 120.2° | 119.6° |
| N10 | C13 | C14 | C15 | 4.8° | 11.4° |
| N10 | C13 | C14 | N18 | 175.1° | 168.7° |
| C13 | N10 | C19 | O20 | 15.0° | 176.5° |
| C13 | N10 | C11 | H44 | 60.8° | 55.6° |
| C13 | N10 | C11 | H45 | 180.0° | 175.7° |
| N10 | C13 | H49 | H48 | 119.5° | 121.2° |
| C19 | N10 | C11 | C12 | 146.1° | 115.7° |
| C19 | N10 | C13 | C14 | 177.6° | 135.8° |
| C19 | N10 | C11 | H44 | 93.5° | 124.4° |
| C19 | N10 | C11 | H45 | 25.7° | 4.2° |
| C19 | N10 | C13 | H49 | 62.3° | 16.3° |
| C19 | N10 | C13 | H48 | 57.4° | 104.7° |
| C11 | C12 | C15 | H46 | 119.2° | 119.8° |
| C11 | C12 | C15 | H47 | 119.2° | 119.8° |
| C11 | C12 | C15 | C14 | 30.7° | 17.8° |
| C11 | C12 | C15 | N16 | 149.1° | 162.5° |
| C12 | C11 | H44 | H45 | 118.8° | 120.1° |
| C11 | C12 | H46 | H47 | 122.3° | 120.4° |
| C12 | C15 | C14 | C13 | 0.1° | 0.5° |
| C12 | C15 | C14 | N16 | 179.8° | 179.8° |
| C12 | C15 | C14 | N18 | 179.8° | 179.6° |
| C12 | C15 | N16 | N17 | 179.8° | 179.6° |
| C15 | C12 | C11 | H44 | 61.7° | 74.8° |
| C15 | C12 | C11 | H45 | 179.1° | 165.1° |
| C15 | C12 | H46 | H47 | 122.3° | 120.3° |
| C12 | C15 | N16 | H50 | 0.2° | 0.5° |
| C13 | C14 | C15 | N18 | 179.9° | 179.9° |
| C13 | C14 | C15 | N16 | 179.8° | 179.7° |
| C13 | C14 | N18 | N17 | 179.9° | 179.8° |
| C14 | C13 | H49 | H48 | 119.5° | 121.1° |
| C14 | C15 | N16 | N17 | 0.1° | 0.2° |
| C15 | C14 | N18 | N17 | 0.0° | 0.1° |
| C15 | C14 | C13 | H49 | 115.4° | 130.8° |
| C15 | C14 | C13 | H48 | 124.9° | 108.2° |
| C14 | C15 | C12 | H46 | 149.9° | 137.6° |
| C14 | C15 | C12 | H47 | 88.6° | 102.0° |
| C14 | C15 | N16 | H50 | 180.0° | 179.8° |
| N18 | C14 | C15 | N16 | 0.0° | 0.2° |
| C14 | N18 | N17 | N16 | 0.0° | 0.0° |
| N18 | C14 | C13 | H49 | 64.8° | 49.3° |
| N18 | C14 | C13 | H48 | 54.9° | 71.7° |
| C15 | N16 | N17 | H50 | 180.0° | 180.0° |
| C15 | N16 | N17 | N18 | 0.1° | 0.1° |
| N16 | C15 | C12 | H46 | 29.8° | 42.7° |
| N16 | C15 | C12 | H47 | 91.7° | 77.7° |
| N18 | N17 | N16 | H50 | 180.0° | 179.9° |
| O22 | C21 | O23 | C24 | 103.0° | 0.0° |
| C21 | O23 | C24 | C25 | 176.5° | 180.0° |
| C21 | O23 | C24 | H52 | 56.3° | 60.1° |
| C21 | O23 | C24 | H51 | 63.3° | 60.0° |
| O23 | C24 | C25 | H52 | 120.2° | 119.9° |
| O23 | C24 | C25 | H51 | 120.2° | 120.0° |
| O23 | C24 | C25 | C26 | 138.2° | 180.0° |
| O23 | C24 | C25 | C30 | 41.9° | 0.2° |
| O23 | C24 | H52 | H51 | 119.3° | 120.0° |
| C24 | C25 | C26 | C30 | 179.9° | 179.8° |
| C24 | C25 | C26 | C27 | 179.9° | 180.0° |
| C24 | C25 | C26 | C36 | 0.1° | 0.1° |
| C24 | C25 | C30 | C29 | 179.9° | 179.7° |
| C25 | C24 | H52 | H51 | 119.3° | 120.0° |
| C24 | C25 | C30 | H55 | 0.1° | 0.1° |
| C25 | C26 | C27 | C36 | 179.8° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C25 | C30 | C29 | 0.0° | 0.5° |
| C26 | C25 | C24 | H52 | 101.6° | 60.1° |
| C26 | C25 | C24 | H51 | 18.0° | 60.0° |
| C25 | C26 | C27 | H53 | 179.5° | 180.0° |
| C26 | C25 | C30 | H55 | 180.0° | 179.8° |
| C25 | C26 | C36 | H58 | 89.9° | 89.9° |
| C25 | C26 | C36 | H56 | 150.1° | 150.0° |
| C25 | C26 | C36 | H57 | 30.1° | 30.0° |
| C30 | C25 | C26 | C27 | 0.1° | 0.2° |
| C30 | C25 | C26 | C36 | 180.0° | 179.8° |
| C25 | C30 | C29 | C28 | 0.1° | 0.5° |
| C25 | C30 | C29 | H55 | 180.0° | 179.7° |
| C30 | C25 | C24 | H52 | 78.4° | 119.7° |
| C30 | C25 | C24 | H51 | 162.1° | 120.2° |
| C25 | C30 | C29 | H54 | 179.9° | 179.8° |
| C26 | C27 | C28 | H53 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.0° |
| C26 | C27 | C28 | O31 | 179.4° | 180.0° |
| C27 | C26 | C36 | H58 | 89.9° | 90.0° |
| C27 | C26 | C36 | H56 | 30.1° | 30.0° |
| C27 | C26 | C36 | H57 | 150.1° | 150.0° |
| C36 | C26 | C27 | C28 | 179.7° | 180.0° |
| C36 | C26 | C27 | H53 | 0.3° | 0.0° |
| C26 | C36 | H58 | H56 | 120.0° | 120.0° |
| C26 | C36 | H58 | H57 | 120.0° | 120.0° |
| C26 | C36 | H56 | H57 | 120.0° | 120.0° |
| C27 | C28 | C29 | O31 | 179.9° | 180.0° |
| C27 | C28 | C29 | C30 | 0.4° | 0.3° |
| C27 | C28 | O31 | C32 | 178.0° | 180.0° |
| C27 | C28 | C29 | H54 | 179.6° | 180.0° |
| C28 | C29 | C30 | H54 | 180.0° | 179.7° |
| C29 | C28 | O31 | C32 | 1.9° | 0.0° |
| C29 | C28 | C27 | H53 | 179.4° | 180.0° |
| C28 | C29 | C30 | H55 | 179.9° | 179.7° |
| O31 | C28 | C29 | C30 | 179.5° | 179.7° |
| C28 | O31 | C32 | F33 | 163.9° | 60.0° |
| C28 | O31 | C32 | F34 | 75.9° | 180.0° |
| C28 | O31 | C32 | F35 | 43.2° | 60.0° |
| O31 | C28 | C27 | H53 | 0.7° | 0.0° |
| O31 | C28 | C29 | H54 | 0.5° | 0.0° |
| O31 | C32 | F33 | F34 | 117.6° | 120.0° |
| O31 | C32 | F33 | F35 | 125.0° | 120.0° |
| O31 | C32 | F34 | F35 | 122.6° | 120.0° |
| F33 | C32 | F34 | F35 | 115.9° | 120.0° |
| H44 | C11 | C12 | H46 | 57.6° | 45.0° |
| H44 | C11 | C12 | H47 | 179.1° | 165.4° |
| H45 | C11 | C12 | H46 | 61.7° | 75.1° |
| H45 | C11 | C12 | H47 | 59.9° | 45.3° |
| H38 | C2 | C3 | H39 | 49.7° | 46.5° |
| H38 | C2 | C3 | H40 | 70.5° | 166.6° |
| H37 | C2 | C3 | H39 | 169.5° | 73.6° |
| H37 | C2 | C3 | H40 | 49.3° | 46.5° |
| H54 | C29 | C30 | H55 | 0.1° | 0.0° |
| H58 | C36 | H56 | H57 | 120.0° | 119.9° |
