Y3B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.50Å | 1.53Å | |
| C1 | N2 | sing | 1.49Å | 1.45Å | |
| N2 | C3 | sing | 1.50Å | 1.46Å | |
| N2 | C22 | sing | 1.35Å | 1.43Å | |
| C3 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.58Å | 1.56Å | |
| C4 | C8 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.50Å | 1.53Å | |
| C6 | N7 | sing | 1.49Å | 1.47Å | |
| N7 | C8 | sing | 1.50Å | 1.45Å | |
| N7 | C11 | sing | 1.35Å | 1.42Å | |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| C11 | O13 | doub | 1.22Å | 1.22Å | |
| C12 | C14 | doub | 1.40Å | 1.46Å | Aromatic |
| C12 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.44Å | Aromatic |
| C17 | N21 | sing | 1.35Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.40Å | Aromatic |
| N19 | N20 | sing | 1.40Å | 1.33Å | Aromatic |
| N20 | N21 | doub | 1.29Å | 1.32Å | Aromatic |
| C22 | O23 | sing | 1.35Å | 1.48Å | |
| C22 | O24 | doub | 1.22Å | 1.25Å | |
| O23 | C25 | sing | 1.45Å | 1.50Å | |
| C25 | C26 | sing | 1.51Å | 1.59Å | |
| C26 | C27 | doub | 1.39Å | 1.43Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | N32 | sing | 1.40Å | 1.40Å | |
| C28 | C29 | doub | 1.39Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | C39 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| N32 | C33 | sing | 1.35Å | 1.38Å | |
| C33 | O34 | doub | 1.21Å | 1.22Å | |
| C33 | C35 | sing | 1.51Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C38 | sing | 1.53Å | 1.53Å | |
| C39 | N40 | trip | 1.14Å | 1.16Å | |
| C15 | H50 | sing | 1.08Å | 1.08Å | |
| C16 | H51 | sing | 1.08Å | 1.08Å | |
| C25 | H53 | sing | 1.09Å | 1.10Å | |
| C25 | H54 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.08Å | 1.08Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| N19 | H52 | sing | 0.97Å | 1.00Å | |
| C30 | H56 | sing | 1.08Å | 1.08Å | |
| C31 | H57 | sing | 1.08Å | 1.08Å | |
| N32 | H58 | sing | 0.97Å | 1.00Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | N2 | 99.9° | 104.8° |
| C1 | C4 | C5 | 94.8° | 99.7° |
| C1 | C4 | C8 | 115.5° | 126.6° |
| C4 | C1 | H42 | 111.8° | 110.4° |
| C4 | C1 | H41 | 111.8° | 110.3° |
| C1 | C4 | H9 | 116.5° | 110.0° |
| C1 | N2 | C3 | 109.2° | 107.8° |
| C1 | N2 | C22 | 121.1° | 126.1° |
| N2 | C1 | H42 | 111.8° | 110.4° |
| N2 | C1 | H41 | 111.8° | 110.4° |
| C3 | N2 | C22 | 129.7° | 126.1° |
| N2 | C3 | C5 | 99.5° | 102.1° |
| N2 | C3 | H44 | 111.9° | 110.8° |
| N2 | C3 | H43 | 111.9° | 110.8° |
| N2 | C22 | O23 | 116.4° | 120.0° |
| N2 | C22 | O24 | 120.1° | 120.0° |
| C3 | C5 | C4 | 92.7° | 98.5° |
| C3 | C5 | C6 | 115.8° | 126.6° |
| C5 | C3 | H44 | 111.9° | 110.9° |
| C5 | C3 | H43 | 111.9° | 110.9° |
| C3 | C5 | H10 | 117.1° | 110.1° |
| C5 | C4 | C8 | 93.3° | 98.5° |
| C4 | C5 | C6 | 91.9° | 99.7° |
| C5 | C4 | H9 | 115.8° | 110.0° |
| C4 | C5 | H10 | 116.5° | 110.0° |
| C4 | C8 | N7 | 98.5° | 102.2° |
| C8 | C4 | H9 | 116.4° | 109.8° |
| C4 | C8 | H47 | 112.2° | 110.9° |
| C4 | C8 | H48 | 112.1° | 110.9° |
| C5 | C6 | N7 | 100.1° | 104.8° |
| C6 | C5 | H10 | 117.1° | 109.7° |
| C5 | C6 | H46 | 111.8° | 110.3° |
| C5 | C6 | H45 | 111.8° | 110.4° |
| C6 | N7 | C8 | 108.4° | 107.8° |
| C6 | N7 | C11 | 123.6° | 126.1° |
| N7 | C6 | H46 | 111.7° | 110.4° |
| N7 | C6 | H45 | 111.7° | 110.4° |
| C8 | N7 | C11 | 128.0° | 126.1° |
| N7 | C8 | H47 | 112.1° | 110.8° |
| N7 | C8 | H48 | 112.1° | 110.9° |
| N7 | C11 | C12 | 125.4° | 120.0° |
| N7 | C11 | O13 | 118.0° | 120.0° |
| C12 | C11 | O13 | 116.6° | 120.0° |
| C11 | C12 | C14 | 112.6° | 119.9° |
| C11 | C12 | C16 | 125.3° | 119.9° |
| C14 | C12 | C16 | 122.1° | 120.3° |
| C12 | C14 | C15 | 122.3° | 120.5° |
| C12 | C14 | H49 | 118.8° | 119.8° |
| C12 | C16 | C17 | 114.8° | 119.6° |
| C12 | C16 | H51 | 122.6° | 120.2° |
| C14 | C15 | C18 | 116.6° | 120.1° |
| C14 | C15 | H50 | 121.7° | 119.9° |
| C15 | C14 | H49 | 118.9° | 119.8° |
| C15 | C18 | C17 | 121.9° | 120.2° |
| C15 | C18 | N19 | 132.7° | 133.7° |
| C18 | C15 | H50 | 121.7° | 119.9° |
| C16 | C17 | C18 | 122.2° | 119.3° |
| C16 | C17 | N21 | 133.1° | 133.1° |
| C17 | C16 | H51 | 122.6° | 120.2° |
| C18 | C17 | N21 | 104.7° | 107.5° |
| C17 | C18 | N19 | 105.4° | 106.1° |
| C17 | N21 | N20 | 110.2° | 110.1° |
| C18 | N19 | N20 | 109.8° | 106.7° |
| C18 | N19 | H52 | 125.1° | 126.6° |
| N19 | N20 | N21 | 109.9° | 109.6° |
| N20 | N19 | H52 | 125.1° | 126.7° |
| O23 | C22 | O24 | 123.3° | 120.0° |
| C22 | O23 | C25 | 121.9° | 117.0° |
| O23 | C25 | C26 | 120.8° | 109.5° |
| O23 | C25 | H53 | 106.6° | 109.5° |
| O23 | C25 | H54 | 106.6° | 109.5° |
| C25 | C26 | C27 | 124.7° | 119.9° |
| C25 | C26 | C31 | 119.5° | 119.8° |
| C26 | C25 | H53 | 106.6° | 109.4° |
| C26 | C25 | H54 | 106.5° | 109.5° |
| C27 | C26 | C31 | 115.8° | 120.3° |
| C26 | C27 | C28 | 121.8° | 120.0° |
| C26 | C27 | N32 | 119.6° | 120.0° |
| C26 | C31 | C30 | 122.3° | 120.2° |
| C26 | C31 | H57 | 118.8° | 120.0° |
| C28 | C27 | N32 | 118.5° | 120.0° |
| C27 | C28 | C29 | 119.7° | 119.8° |
| C27 | C28 | H55 | 120.2° | 120.1° |
| C27 | N32 | C33 | 129.3° | 120.0° |
| C27 | N32 | H58 | 115.4° | 120.0° |
| C28 | C29 | C30 | 121.0° | 119.8° |
| C28 | C29 | C39 | 118.6° | 120.1° |
| C29 | C28 | H55 | 120.2° | 120.2° |
| C30 | C29 | C39 | 120.3° | 120.1° |
| C29 | C30 | C31 | 119.4° | 120.0° |
| C29 | C30 | H56 | 120.3° | 120.0° |
| C29 | C39 | N40 | 177.8° | 180.0° |
| C31 | C30 | H56 | 120.3° | 120.0° |
| C30 | C31 | H57 | 118.9° | 119.8° |
| N32 | C33 | O34 | 123.1° | 120.0° |
| N32 | C33 | C35 | 111.4° | 120.0° |
| C33 | N32 | H58 | 115.4° | 120.0° |
| O34 | C33 | C35 | 125.4° | 120.0° |
| C33 | C35 | C36 | 107.7° | 109.5° |
| C33 | C35 | C37 | 114.1° | 109.5° |
| C33 | C35 | C38 | 106.8° | 109.5° |
| C36 | C35 | C37 | 110.1° | 109.5° |
| C36 | C35 | C38 | 108.7° | 109.4° |
| C35 | C36 | H59 | 109.5° | 109.5° |
| C35 | C36 | H61 | 109.5° | 109.4° |
| C35 | C36 | H60 | 109.5° | 109.5° |
| C37 | C35 | C38 | 109.3° | 109.5° |
| C35 | C37 | H63 | 109.5° | 109.5° |
| C35 | C37 | H64 | 109.5° | 109.5° |
| C35 | C37 | H62 | 109.5° | 109.5° |
| C35 | C38 | H67 | 109.5° | 109.5° |
| C35 | C38 | H65 | 109.5° | 109.5° |
| C35 | C38 | H66 | 109.5° | 109.5° |
| H53 | C25 | H54 | 109.5° | 109.5° |
| H42 | C1 | H41 | 109.5° | 110.4° |
| H44 | C3 | H43 | 109.5° | 110.9° |
| H46 | C6 | H45 | 109.5° | 110.4° |
| H47 | C8 | H48 | 109.5° | 111.0° |
| H59 | C36 | H61 | 109.5° | 109.5° |
| H59 | C36 | H60 | 109.4° | 109.5° |
| H61 | C36 | H60 | 109.5° | 109.5° |
| H63 | C37 | H64 | 109.5° | 109.5° |
| H63 | C37 | H62 | 109.5° | 109.4° |
| H64 | C37 | H62 | 109.5° | 109.4° |
| H67 | C38 | H65 | 109.5° | 109.5° |
| H67 | C38 | H66 | 109.5° | 109.4° |
| H65 | C38 | H66 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | N2 | H42 | 118.4° | 118.8° |
| C4 | C1 | N2 | H41 | 118.4° | 118.8° |
| C4 | C1 | N2 | C3 | 17.1° | 7.5° |
| C4 | C1 | N2 | C22 | 165.3° | 172.5° |
| C1 | C4 | C5 | C3 | 62.9° | 50.4° |
| C1 | C4 | C5 | C8 | 115.9° | 129.6° |
| C1 | C4 | C5 | H9 | 122.5° | 115.6° |
| C1 | C4 | C8 | H9 | 142.1° | 136.2° |
| C1 | C4 | C5 | C6 | 178.9° | 180.0° |
| C1 | C4 | C8 | N7 | 151.8° | 154.7° |
| C4 | C1 | H42 | H41 | 124.4° | 122.3° |
| C1 | C4 | C5 | H10 | 59.4° | 64.7° |
| C1 | C4 | C8 | H47 | 33.6° | 36.6° |
| C1 | C4 | C8 | H48 | 90.0° | 87.2° |
| C1 | N2 | C3 | C22 | 177.4° | 180.0° |
| C1 | N2 | C3 | C5 | 23.7° | 25.3° |
| N2 | C1 | C4 | C5 | 49.6° | 35.4° |
| N2 | C1 | C4 | C8 | 145.6° | 143.7° |
| C1 | N2 | C22 | O23 | 30.1° | 180.0° |
| C1 | N2 | C22 | O24 | 144.8° | 0.1° |
| N2 | C1 | H42 | H41 | 124.5° | 122.4° |
| C1 | N2 | C3 | H44 | 94.7° | 92.9° |
| C1 | N2 | C3 | H43 | 142.0° | 143.5° |
| N2 | C1 | C4 | H9 | 72.4° | 80.2° |
| N2 | C3 | C5 | H44 | 118.3° | 118.1° |
| N2 | C3 | C5 | H43 | 118.4° | 118.1° |
| N2 | C3 | C5 | C4 | 52.7° | 45.8° |
| N2 | C3 | C5 | C6 | 146.1° | 154.7° |
| C3 | N2 | C22 | O23 | 152.8° | 0.0° |
| C3 | N2 | C22 | O24 | 32.3° | 179.9° |
| C3 | N2 | C1 | H42 | 135.5° | 111.4° |
| C3 | N2 | C1 | H41 | 101.4° | 126.3° |
| N2 | C3 | H44 | H43 | 124.7° | 123.6° |
| N2 | C3 | C5 | H10 | 69.0° | 69.2° |
| C22 | N2 | C3 | C5 | 153.7° | 154.7° |
| N2 | C22 | O23 | O24 | 174.8° | 179.9° |
| N2 | C22 | O23 | C25 | 127.6° | 180.0° |
| C22 | N2 | C1 | H42 | 46.9° | 68.6° |
| C22 | N2 | C1 | H41 | 76.3° | 53.7° |
| C22 | N2 | C3 | H44 | 87.9° | 87.1° |
| C22 | N2 | C3 | H43 | 35.3° | 36.5° |
| C3 | C5 | C4 | C6 | 116.0° | 129.6° |
| C3 | C5 | C4 | H10 | 122.3° | 115.1° |
| C3 | C5 | C4 | C8 | 178.8° | 180.0° |
| C3 | C5 | C6 | H10 | 144.8° | 136.2° |
| C3 | C5 | C6 | N7 | 145.4° | 143.7° |
| C5 | C3 | H44 | H43 | 124.6° | 123.7° |
| C3 | C5 | C4 | H9 | 59.6° | 65.2° |
| C3 | C5 | C6 | H46 | 27.0° | 24.8° |
| C3 | C5 | C6 | H45 | 96.1° | 97.5° |
| C5 | C4 | C8 | H9 | 121.0° | 114.9° |
| C4 | C5 | C6 | H10 | 121.2° | 115.5° |
| C4 | C5 | C6 | N7 | 51.5° | 35.3° |
| C5 | C4 | C8 | N7 | 54.9° | 45.8° |
| C5 | C4 | C1 | H42 | 168.0° | 83.5° |
| C5 | C4 | C1 | H41 | 68.8° | 154.2° |
| C4 | C5 | C3 | H44 | 65.6° | 72.3° |
| C4 | C5 | C3 | H43 | 171.1° | 164.0° |
| C4 | C5 | C6 | H46 | 67.0° | 83.5° |
| C4 | C5 | C6 | H45 | 169.9° | 154.2° |
| C5 | C4 | C8 | H47 | 63.3° | 72.3° |
| C5 | C4 | C8 | H48 | 173.1° | 164.0° |
| C8 | C4 | C5 | C6 | 65.2° | 50.4° |
| C4 | C8 | N7 | C6 | 23.3° | 25.3° |
| C4 | C8 | N7 | H47 | 118.2° | 118.1° |
| C4 | C8 | N7 | H48 | 118.2° | 118.2° |
| C4 | C8 | N7 | C11 | 154.5° | 154.7° |
| C8 | C4 | C1 | H42 | 96.0° | 24.8° |
| C8 | C4 | C1 | H41 | 27.1° | 97.5° |
| C8 | C4 | C5 | H10 | 56.5° | 64.9° |
| C4 | C8 | H47 | H48 | 125.1° | 123.7° |
| C5 | C6 | N7 | H46 | 118.5° | 118.8° |
| C5 | C6 | N7 | H45 | 118.5° | 118.8° |
| C5 | C6 | N7 | C8 | 18.9° | 7.5° |
| C5 | C6 | N7 | C11 | 163.2° | 172.6° |
| C6 | C5 | C3 | H44 | 27.8° | 36.6° |
| C6 | C5 | C3 | H43 | 95.5° | 87.1° |
| C6 | C5 | C4 | H9 | 56.4° | 64.4° |
| C5 | C6 | H46 | H45 | 124.4° | 122.3° |
| C6 | N7 | C8 | C11 | 177.8° | 180.0° |
| C6 | N7 | C11 | C12 | 165.5° | 176.3° |
| C6 | N7 | C11 | O13 | 14.9° | 3.4° |
| N7 | C6 | C5 | H10 | 69.8° | 80.2° |
| N7 | C6 | H46 | H45 | 124.3° | 122.3° |
| C6 | N7 | C8 | H47 | 94.9° | 92.8° |
| C6 | N7 | C8 | H48 | 141.5° | 143.5° |
| C8 | N7 | C11 | C12 | 17.0° | 3.6° |
| C8 | N7 | C11 | O13 | 162.6° | 176.7° |
| N7 | C8 | C4 | H9 | 66.1° | 69.1° |
| C8 | N7 | C6 | H46 | 99.6° | 111.3° |
| C8 | N7 | C6 | H45 | 137.3° | 126.3° |
| N7 | C8 | H47 | H48 | 125.1° | 123.6° |
| N7 | C11 | C12 | O13 | 179.6° | 179.7° |
| N7 | C11 | C12 | C14 | 129.1° | 33.0° |
| N7 | C11 | C12 | C16 | 53.7° | 147.6° |
| C11 | N7 | C6 | H46 | 78.3° | 68.6° |
| C11 | N7 | C6 | H45 | 44.7° | 53.7° |
| C11 | N7 | C8 | H47 | 87.3° | 87.2° |
| C11 | N7 | C8 | H48 | 36.3° | 36.5° |
| C11 | C12 | C14 | C16 | 177.2° | 179.4° |
| C11 | C12 | C14 | C15 | 178.7° | 180.0° |
| C11 | C12 | C16 | C17 | 179.0° | 179.7° |
| C11 | C12 | C16 | H51 | 1.0° | 0.3° |
| C11 | C12 | C14 | H49 | 1.3° | 0.1° |
| O13 | C11 | C12 | C14 | 50.4° | 147.3° |
| O13 | C11 | C12 | C16 | 126.7° | 32.1° |
| C12 | C14 | C15 | H49 | 180.0° | 179.9° |
| C12 | C14 | C15 | C18 | 0.7° | 0.0° |
| C14 | C12 | C16 | C17 | 2.1° | 0.9° |
| C12 | C14 | C15 | H50 | 179.3° | 179.6° |
| C14 | C12 | C16 | H51 | 177.9° | 179.7° |
| C16 | C12 | C14 | C15 | 1.5° | 0.6° |
| C12 | C16 | C17 | H51 | 180.0° | 179.4° |
| C12 | C16 | C17 | C18 | 2.2° | 0.6° |
| C12 | C16 | C17 | N21 | 179.5° | 179.5° |
| C16 | C12 | C14 | H49 | 178.5° | 179.5° |
| C14 | C15 | C18 | H50 | 180.0° | 179.7° |
| C14 | C15 | C18 | C17 | 0.7° | 0.3° |
| C14 | C15 | C18 | N19 | 180.0° | 179.8° |
| C15 | C18 | C17 | C16 | 1.6° | 0.0° |
| C15 | C18 | C17 | N19 | 179.5° | 180.0° |
| C15 | C18 | C17 | N21 | 179.7° | 180.0° |
| C15 | C18 | N19 | N20 | 179.1° | 180.0° |
| C18 | C15 | C14 | H49 | 179.3° | 179.9° |
| C15 | C18 | N19 | H52 | 0.9° | 0.0° |
| C16 | C17 | C18 | N21 | 178.7° | 180.0° |
| C16 | C17 | C18 | N19 | 178.9° | 180.0° |
| C16 | C17 | N21 | N20 | 179.1° | 179.9° |
| C17 | C18 | N19 | N20 | 0.3° | 0.0° |
| C18 | C17 | N21 | N20 | 0.6° | 0.0° |
| C17 | C18 | C15 | H50 | 179.2° | 179.9° |
| C18 | C17 | C16 | H51 | 177.8° | 180.0° |
| C17 | C18 | N19 | H52 | 179.7° | 180.0° |
| N21 | C17 | C18 | N19 | 0.2° | 0.0° |
| C17 | N21 | N20 | N19 | 0.8° | 0.1° |
| N21 | C17 | C16 | H51 | 0.5° | 0.1° |
| C18 | N19 | N20 | H52 | 180.0° | 180.0° |
| C18 | N19 | N20 | N21 | 0.7° | 0.1° |
| N19 | C18 | C15 | H50 | 0.1° | 0.1° |
| N21 | N20 | N19 | H52 | 179.3° | 180.0° |
| C22 | O23 | C25 | C26 | 172.5° | 180.0° |
| C22 | O23 | C25 | H53 | 66.0° | 60.0° |
| C22 | O23 | C25 | H54 | 50.9° | 60.0° |
| O24 | C22 | O23 | C25 | 47.1° | 0.1° |
| O23 | C25 | C26 | H53 | 121.6° | 120.1° |
| O23 | C25 | C26 | H54 | 121.6° | 120.0° |
| O23 | C25 | C26 | C27 | 0.5° | 180.0° |
| O23 | C25 | C26 | C31 | 178.0° | 0.3° |
| O23 | C25 | H53 | H54 | 114.9° | 120.0° |
| C25 | C26 | C27 | C31 | 178.6° | 179.7° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C25 | C26 | C27 | N32 | 2.4° | 0.1° |
| C25 | C26 | C31 | C30 | 179.5° | 179.8° |
| C26 | C25 | H53 | H54 | 114.9° | 119.9° |
| C25 | C26 | C31 | H57 | 0.5° | 0.0° |
| C26 | C27 | C28 | N32 | 177.8° | 180.0° |
| C26 | C27 | C28 | C29 | 0.5° | 0.0° |
| C27 | C26 | C31 | C30 | 0.9° | 0.5° |
| C26 | C27 | N32 | C33 | 175.6° | 145.5° |
| C27 | C26 | C25 | H53 | 122.1° | 59.9° |
| C27 | C26 | C25 | H54 | 121.0° | 60.0° |
| C26 | C27 | C28 | H55 | 179.5° | 180.0° |
| C27 | C26 | C31 | H57 | 179.1° | 179.7° |
| C26 | C27 | N32 | H58 | 4.5° | 34.4° |
| C31 | C26 | C27 | C28 | 1.3° | 0.3° |
| C31 | C26 | C27 | N32 | 179.0° | 179.7° |
| C26 | C31 | C30 | C29 | 0.3° | 0.5° |
| C26 | C31 | C30 | H57 | 180.0° | 179.7° |
| C31 | C26 | C25 | H53 | 56.4° | 119.8° |
| C31 | C26 | C25 | H54 | 60.4° | 120.3° |
| C26 | C31 | C30 | H56 | 179.8° | 179.7° |
| C27 | C28 | C29 | H55 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.7° | 0.0° |
| C27 | C28 | C29 | C39 | 179.7° | 180.0° |
| C28 | C27 | N32 | C33 | 6.6° | 34.5° |
| C28 | C27 | N32 | H58 | 173.4° | 145.6° |
| N32 | C27 | C28 | C29 | 178.3° | 180.0° |
| C27 | N32 | C33 | H58 | 180.0° | 179.9° |
| C27 | N32 | C33 | O34 | 3.2° | 4.0° |
| C27 | N32 | C33 | C35 | 178.9° | 176.0° |
| N32 | C27 | C28 | H55 | 1.7° | 0.0° |
| C28 | C29 | C30 | C39 | 179.5° | 180.0° |
| C28 | C29 | C30 | C31 | 1.1° | 0.2° |
| C28 | C29 | C39 | N40 | 0.6° | 15.1° |
| C28 | C29 | C30 | H56 | 178.9° | 180.0° |
| C29 | C30 | C31 | H56 | 180.0° | 179.8° |
| C30 | C29 | C39 | N40 | 179.8° | 164.9° |
| C30 | C29 | C28 | H55 | 179.3° | 180.0° |
| C29 | C30 | C31 | H57 | 179.7° | 179.8° |
| C39 | C29 | C30 | C31 | 179.4° | 179.8° |
| C39 | C29 | C28 | H55 | 0.2° | 0.0° |
| C39 | C29 | C30 | H56 | 0.6° | 0.0° |
| N32 | C33 | O34 | C35 | 177.6° | 180.0° |
| N32 | C33 | C35 | C36 | 69.3° | 180.0° |
| N32 | C33 | C35 | C37 | 168.2° | 60.0° |
| N32 | C33 | C35 | C38 | 47.3° | 60.0° |
| O34 | C33 | C35 | C36 | 108.5° | 0.1° |
| O34 | C33 | C35 | C37 | 14.0° | 119.9° |
| O34 | C33 | C35 | C38 | 134.9° | 120.0° |
| O34 | C33 | N32 | H58 | 176.8° | 176.1° |
| C33 | C35 | C36 | C37 | 125.0° | 120.0° |
| C33 | C35 | C36 | C38 | 115.4° | 120.0° |
| C33 | C35 | C37 | C38 | 119.5° | 120.0° |
| C35 | C33 | N32 | H58 | 1.1° | 4.0° |
| C33 | C35 | C36 | H59 | 180.0° | 60.0° |
| C33 | C35 | C36 | H61 | 60.0° | 180.0° |
| C33 | C35 | C36 | H60 | 60.0° | 60.0° |
| C33 | C35 | C37 | H63 | 180.0° | 60.0° |
| C33 | C35 | C37 | H64 | 60.0° | 180.0° |
| C33 | C35 | C37 | H62 | 60.0° | 60.0° |
| C33 | C35 | C38 | H67 | 180.0° | 60.0° |
| C33 | C35 | C38 | H65 | 60.0° | 180.0° |
| C33 | C35 | C38 | H66 | 60.0° | 60.0° |
| C36 | C35 | C37 | C38 | 119.3° | 120.0° |
| C35 | C36 | H59 | H61 | 120.0° | 120.0° |
| C35 | C36 | H59 | H60 | 120.0° | 120.0° |
| C35 | C36 | H61 | H60 | 120.0° | 120.0° |
| C36 | C35 | C37 | H63 | 58.7° | 180.0° |
| C36 | C35 | C37 | H64 | 61.2° | 60.0° |
| C36 | C35 | C37 | H62 | 178.8° | 60.0° |
| C36 | C35 | C38 | H67 | 64.0° | 60.0° |
| C36 | C35 | C38 | H65 | 176.0° | 60.0° |
| C36 | C35 | C38 | H66 | 56.0° | 180.0° |
| C37 | C35 | C36 | H59 | 55.0° | 60.0° |
| C37 | C35 | C36 | H61 | 175.0° | 60.0° |
| C37 | C35 | C36 | H60 | 65.0° | 180.0° |
| C35 | C37 | H63 | H64 | 120.0° | 120.1° |
| C35 | C37 | H63 | H62 | 120.0° | 120.0° |
| C35 | C37 | H64 | H62 | 120.0° | 120.0° |
| C37 | C35 | C38 | H67 | 56.1° | 180.0° |
| C37 | C35 | C38 | H65 | 63.9° | 60.0° |
| C37 | C35 | C38 | H66 | 176.1° | 60.0° |
| C38 | C35 | C36 | H59 | 64.6° | 180.0° |
| C38 | C35 | C36 | H61 | 55.4° | 60.0° |
| C38 | C35 | C36 | H60 | 175.4° | 60.0° |
| C38 | C35 | C37 | H63 | 60.5° | 60.1° |
| C38 | C35 | C37 | H64 | 179.5° | 60.0° |
| C38 | C35 | C37 | H62 | 59.5° | 180.0° |
| C35 | C38 | H67 | H65 | 120.0° | 120.1° |
| C35 | C38 | H67 | H66 | 120.0° | 120.0° |
| C35 | C38 | H65 | H66 | 120.0° | 120.0° |
| H50 | C15 | C14 | H49 | 0.7° | 0.3° |
| H42 | C1 | C4 | H9 | 46.1° | 160.9° |
| H41 | C1 | C4 | H9 | 169.2° | 38.6° |
| H44 | C3 | C5 | H10 | 172.6° | 172.7° |
| H43 | C3 | C5 | H10 | 49.3° | 48.9° |
| H9 | C4 | C5 | H10 | 178.1° | 179.7° |
| H9 | C4 | C8 | H47 | 175.7° | 172.8° |
| H9 | C4 | C8 | H48 | 52.1° | 49.0° |
| H10 | C5 | C6 | H46 | 171.8° | 161.0° |
| H10 | C5 | C6 | H45 | 48.7° | 38.7° |
| H56 | C30 | C31 | H57 | 0.3° | 0.1° |
| H59 | C36 | H61 | H60 | 120.0° | 120.1° |
| H63 | C37 | H64 | H62 | 120.0° | 120.0° |
| H67 | C38 | H65 | H66 | 120.0° | 119.9° |
