O2B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C24 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N17 | sing | 1.47Å | 1.47Å | |
| N7 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C8 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.41Å | |
| N17 | C8 | sing | 1.39Å | 1.38Å | |
| N17 | C22 | sing | 1.47Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | N2 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| N2 | C1 | doub | 1.31Å | 1.31Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.49Å | |
| C9 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| C1 | C27 | sing | 1.48Å | 1.48Å | |
| C26 | C27 | doub | 1.36Å | 1.36Å | Aromatic |
| C26 | N30 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C10 | sing | 1.46Å | 1.48Å | |
| C34 | N30 | sing | 1.35Å | 1.37Å | Aromatic |
| C34 | N33 | doub | 1.31Å | 1.32Å | Aromatic |
| C27 | N28 | sing | 1.35Å | 1.37Å | Aromatic |
| N30 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| N33 | N32 | sing | 1.29Å | 1.36Å | Aromatic |
| C10 | C23 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| N28 | C25 | doub | 1.32Å | 1.31Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | N32 | doub | 1.32Å | 1.32Å | Aromatic |
| C31 | C25 | sing | 1.46Å | 1.45Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | N29 | sing | 1.38Å | 1.35Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N29 | C36 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C6 | H39 | sing | 1.08Å | 1.08Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H43 | sing | 1.08Å | 1.08Å | |
| C15 | H45 | sing | 1.08Å | 1.08Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C21 | H51 | sing | 1.09Å | 1.10Å | |
| C22 | H52 | sing | 1.09Å | 1.10Å | |
| C22 | H53 | sing | 1.09Å | 1.10Å | |
| C24 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å | |
| C24 | H59 | sing | 1.09Å | 1.10Å | |
| C26 | H60 | sing | 1.08Å | 1.08Å | |
| C9 | H40 | sing | 1.08Å | 1.08Å | |
| C12 | H42 | sing | 1.08Å | 1.08Å | |
| C14 | H44 | sing | 1.08Å | 1.08Å | |
| C16 | H46 | sing | 1.08Å | 1.08Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C19 | H49 | sing | 1.09Å | 1.10Å | |
| C23 | H55 | sing | 1.09Å | 1.10Å | |
| C23 | H56 | sing | 1.09Å | 1.10Å | |
| C23 | H54 | sing | 1.09Å | 1.10Å | |
| N29 | H61 | sing | 0.97Å | 1.00Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H71 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | O20 | 118.0° | 109.3° |
| C19 | C18 | C24 | 108.5° | 109.5° |
| C19 | C18 | N17 | 114.1° | 109.3° |
| C19 | C18 | H47 | 107.0° | 109.5° |
| C18 | C19 | H48 | 107.3° | 109.5° |
| C18 | C19 | H49 | 107.3° | 109.5° |
| C19 | O20 | C21 | 113.2° | 113.8° |
| O20 | C19 | H48 | 107.3° | 109.6° |
| O20 | C19 | H49 | 107.3° | 109.5° |
| C24 | C18 | N17 | 111.1° | 109.5° |
| C18 | C24 | H57 | 109.5° | 109.5° |
| C18 | C24 | H58 | 109.5° | 109.5° |
| C18 | C24 | H59 | 109.5° | 109.5° |
| C24 | C18 | H47 | 107.5° | 109.5° |
| C18 | N17 | C8 | 120.1° | 111.0° |
| C18 | N17 | C22 | 120.8° | 110.8° |
| N17 | C18 | H47 | 108.2° | 109.5° |
| C6 | N7 | C8 | 119.7° | 122.3° |
| N7 | C6 | C5 | 121.5° | 120.3° |
| N7 | C6 | H39 | 119.3° | 119.8° |
| N7 | C8 | N17 | 117.1° | 119.4° |
| N7 | C8 | C9 | 123.3° | 121.1° |
| C6 | C5 | N2 | 132.6° | 134.1° |
| C6 | C5 | C4 | 117.7° | 118.8° |
| C5 | C6 | H39 | 119.2° | 119.8° |
| O20 | C21 | C22 | 108.5° | 109.2° |
| O20 | C21 | H50 | 109.7° | 109.5° |
| O20 | C21 | H51 | 109.7° | 109.6° |
| C8 | N17 | C22 | 118.9° | 111.0° |
| N17 | C8 | C9 | 119.6° | 119.5° |
| N17 | C22 | C21 | 110.1° | 109.3° |
| N17 | C22 | H52 | 109.3° | 109.5° |
| N17 | C22 | H53 | 109.3° | 109.6° |
| C22 | C21 | H50 | 109.7° | 109.5° |
| C22 | C21 | H51 | 109.7° | 109.5° |
| C21 | C22 | H52 | 109.3° | 109.5° |
| C21 | C22 | H53 | 109.3° | 109.5° |
| C8 | C9 | C4 | 115.6° | 118.8° |
| C8 | C9 | H40 | 122.2° | 120.6° |
| N2 | C5 | C4 | 109.6° | 107.1° |
| C5 | N2 | C1 | 105.3° | 109.6° |
| C5 | C4 | C9 | 121.7° | 118.7° |
| C5 | C4 | N3 | 106.3° | 106.3° |
| N2 | C1 | N3 | 113.5° | 109.8° |
| N2 | C1 | C27 | 120.2° | 125.1° |
| C35 | C34 | N30 | 123.7° | 126.2° |
| C35 | C34 | N33 | 127.7° | 126.3° |
| C34 | C35 | H63 | 109.5° | 109.5° |
| C34 | C35 | H64 | 109.5° | 109.5° |
| C34 | C35 | H62 | 109.5° | 109.5° |
| C9 | C4 | N3 | 132.0° | 135.0° |
| C4 | C9 | H40 | 122.2° | 120.6° |
| C4 | N3 | C1 | 105.2° | 107.2° |
| C4 | N3 | C10 | 124.6° | 126.4° |
| N3 | C1 | C27 | 126.2° | 125.1° |
| C1 | N3 | C10 | 128.2° | 126.5° |
| C1 | C27 | C26 | 119.5° | 119.1° |
| C1 | C27 | N28 | 117.0° | 119.1° |
| C27 | C26 | N30 | 116.6° | 120.3° |
| C26 | C27 | N28 | 123.4° | 121.8° |
| C27 | C26 | H60 | 121.7° | 119.9° |
| C26 | N30 | C34 | 131.9° | 134.7° |
| C26 | N30 | C31 | 122.7° | 119.2° |
| N30 | C26 | H60 | 121.7° | 119.8° |
| N3 | C10 | C23 | 112.0° | 109.5° |
| N3 | C10 | C11 | 108.8° | 109.5° |
| N3 | C10 | H41 | 106.6° | 109.4° |
| N30 | C34 | N33 | 108.6° | 107.5° |
| C34 | N30 | C31 | 105.4° | 106.0° |
| C34 | N33 | N32 | 109.0° | 110.2° |
| C27 | N28 | C25 | 120.0° | 121.1° |
| N30 | C31 | N32 | 110.1° | 106.9° |
| N30 | C31 | C25 | 116.9° | 118.6° |
| N33 | N32 | C31 | 106.8° | 109.3° |
| C23 | C10 | C11 | 116.5° | 109.5° |
| C23 | C10 | H41 | 106.2° | 109.4° |
| C10 | C23 | H55 | 109.5° | 109.4° |
| C10 | C23 | H56 | 109.5° | 109.5° |
| C10 | C23 | H54 | 109.4° | 109.5° |
| C10 | C11 | C12 | 118.2° | 120.0° |
| C10 | C11 | C16 | 123.1° | 120.0° |
| C11 | C10 | H41 | 106.2° | 109.5° |
| N28 | C25 | C31 | 120.4° | 119.0° |
| N28 | C25 | N29 | 121.2° | 120.5° |
| C11 | C12 | C13 | 121.1° | 120.0° |
| C12 | C11 | C16 | 118.8° | 120.0° |
| C11 | C12 | H42 | 119.5° | 119.9° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C12 | C13 | H43 | 120.2° | 120.0° |
| C13 | C12 | H42 | 119.5° | 120.0° |
| N32 | C31 | C25 | 133.0° | 134.5° |
| C31 | C25 | N29 | 118.4° | 120.5° |
| C11 | C16 | C15 | 120.6° | 120.0° |
| C11 | C16 | H46 | 119.7° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C14 | C13 | H43 | 120.1° | 120.0° |
| C13 | C14 | H44 | 120.1° | 120.0° |
| C25 | N29 | C36 | 122.0° | 120.0° |
| C25 | N29 | H61 | 106.2° | 120.1° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | H45 | 120.0° | 120.0° |
| C15 | C16 | H46 | 119.7° | 120.1° |
| C14 | C15 | H45 | 120.0° | 120.0° |
| C15 | C14 | H44 | 120.1° | 120.0° |
| N29 | C36 | C37 | 111.9° | 109.5° |
| N29 | C36 | C38 | 109.2° | 109.4° |
| C36 | N29 | H61 | 106.2° | 120.0° |
| N29 | C36 | H65 | 108.2° | 109.5° |
| C37 | C36 | C38 | 112.5° | 109.5° |
| C37 | C36 | H65 | 107.4° | 109.5° |
| C36 | C37 | H67 | 109.5° | 109.5° |
| C36 | C37 | H68 | 109.4° | 109.4° |
| C36 | C37 | H66 | 109.5° | 109.4° |
| C38 | C36 | H65 | 107.5° | 109.4° |
| C36 | C38 | H71 | 109.5° | 109.5° |
| C36 | C38 | H69 | 109.5° | 109.5° |
| C36 | C38 | H70 | 109.4° | 109.4° |
| H50 | C21 | H51 | 109.5° | 109.6° |
| H52 | C22 | H53 | 109.5° | 109.5° |
| H57 | C24 | H58 | 109.5° | 109.4° |
| H57 | C24 | H59 | 109.4° | 109.5° |
| H58 | C24 | H59 | 109.4° | 109.5° |
| H48 | C19 | H49 | 109.5° | 109.5° |
| H55 | C23 | H56 | 109.4° | 109.4° |
| H55 | C23 | H54 | 109.5° | 109.4° |
| H56 | C23 | H54 | 109.5° | 109.5° |
| H63 | C35 | H64 | 109.5° | 109.4° |
| H63 | C35 | H62 | 109.5° | 109.4° |
| H64 | C35 | H62 | 109.5° | 109.4° |
| H67 | C37 | H68 | 109.5° | 109.5° |
| H67 | C37 | H66 | 109.5° | 109.5° |
| H68 | C37 | H66 | 109.5° | 109.6° |
| H71 | C38 | H69 | 109.5° | 109.5° |
| H71 | C38 | H70 | 109.5° | 109.5° |
| H69 | C38 | H70 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | O20 | H48 | 121.2° | 120.0° |
| C18 | C19 | O20 | H49 | 121.2° | 119.9° |
| C19 | C18 | C24 | N17 | 126.3° | 119.8° |
| C19 | C18 | C24 | H47 | 115.5° | 120.1° |
| C19 | C18 | N17 | H47 | 119.1° | 120.0° |
| C18 | C19 | O20 | C21 | 33.3° | 58.6° |
| C19 | C18 | N17 | C8 | 175.5° | 177.6° |
| C19 | C18 | N17 | C22 | 1.2° | 58.6° |
| C19 | C18 | C24 | H57 | 180.0° | 57.7° |
| C19 | C18 | C24 | H58 | 60.0° | 62.2° |
| C19 | C18 | C24 | H59 | 60.0° | 177.7° |
| C18 | C19 | H48 | H49 | 116.1° | 120.0° |
| O20 | C19 | C18 | C24 | 125.2° | 176.7° |
| O20 | C19 | C18 | N17 | 0.7° | 56.8° |
| C19 | O20 | C21 | C22 | 65.4° | 58.6° |
| C19 | O20 | C21 | H50 | 54.4° | 61.2° |
| C19 | O20 | C21 | H51 | 174.7° | 178.6° |
| O20 | C19 | C18 | H47 | 119.0° | 63.2° |
| O20 | C19 | H48 | H49 | 116.2° | 120.1° |
| C24 | C18 | N17 | H47 | 117.8° | 120.0° |
| C24 | C18 | N17 | C8 | 61.4° | 57.6° |
| C24 | C18 | N17 | C22 | 124.3° | 178.6° |
| C18 | C24 | H57 | H58 | 120.0° | 119.9° |
| C18 | C24 | H57 | H59 | 120.0° | 120.1° |
| C18 | C24 | H58 | H59 | 120.0° | 120.1° |
| C24 | C18 | C19 | H48 | 113.5° | 63.2° |
| C24 | C18 | C19 | H49 | 4.0° | 56.9° |
| C18 | N17 | C8 | N7 | 20.9° | 65.1° |
| C18 | N17 | C8 | C22 | 174.5° | 123.7° |
| C18 | N17 | C22 | C21 | 29.2° | 58.6° |
| C18 | N17 | C8 | C9 | 158.3° | 115.3° |
| C18 | N17 | C22 | H52 | 90.9° | 61.3° |
| C18 | N17 | C22 | H53 | 149.3° | 178.5° |
| N17 | C18 | C24 | H57 | 53.7° | 62.1° |
| N17 | C18 | C24 | H58 | 66.3° | 177.9° |
| N17 | C18 | C24 | H59 | 173.7° | 57.9° |
| N17 | C18 | C19 | H48 | 121.9° | 176.8° |
| N17 | C18 | C19 | H49 | 120.5° | 63.1° |
| N7 | C6 | C5 | H39 | 180.0° | 180.0° |
| C6 | N7 | C8 | N17 | 177.6° | 180.0° |
| C6 | N7 | C8 | C9 | 3.2° | 0.3° |
| N7 | C6 | C5 | N2 | 177.8° | 180.0° |
| N7 | C6 | C5 | C4 | 7.5° | 0.3° |
| C8 | N7 | C6 | C5 | 3.9° | 0.0° |
| N7 | C8 | N17 | C9 | 179.3° | 179.6° |
| N7 | C8 | N17 | C22 | 153.6° | 58.6° |
| N7 | C8 | C9 | C4 | 6.1° | 0.4° |
| C8 | N7 | C6 | H39 | 176.1° | 180.0° |
| N7 | C8 | C9 | H40 | 173.8° | 180.0° |
| C6 | C5 | N2 | C4 | 175.0° | 179.7° |
| C6 | C5 | N2 | C1 | 175.9° | 180.0° |
| C6 | C5 | C4 | C9 | 4.2° | 0.2° |
| C6 | C5 | C4 | N3 | 177.7° | 179.8° |
| O20 | C21 | C22 | N17 | 62.7° | 56.8° |
| O20 | C21 | C22 | H50 | 119.9° | 119.9° |
| O20 | C21 | C22 | H51 | 119.8° | 120.0° |
| O20 | C21 | H50 | H51 | 120.4° | 120.2° |
| O20 | C21 | C22 | H52 | 57.4° | 63.1° |
| O20 | C21 | C22 | H53 | 177.2° | 176.8° |
| C21 | O20 | C19 | H48 | 87.9° | 178.6° |
| C21 | O20 | C19 | H49 | 154.5° | 61.2° |
| C8 | N17 | C22 | C21 | 145.2° | 177.5° |
| N17 | C8 | C9 | C4 | 174.7° | 180.0° |
| C8 | N17 | C22 | H52 | 94.7° | 62.5° |
| C8 | N17 | C22 | H53 | 25.2° | 57.6° |
| N17 | C8 | C9 | H40 | 5.4° | 0.4° |
| C8 | N17 | C18 | H47 | 56.5° | 62.4° |
| N17 | C22 | C21 | H52 | 120.1° | 120.0° |
| N17 | C22 | C21 | H53 | 120.1° | 120.0° |
| C22 | N17 | C8 | C9 | 27.2° | 121.0° |
| N17 | C22 | C21 | H50 | 57.2° | 63.0° |
| N17 | C22 | C21 | H51 | 177.5° | 176.8° |
| N17 | C22 | H52 | H53 | 119.8° | 120.2° |
| C22 | N17 | C18 | H47 | 117.9° | 61.4° |
| C22 | C21 | H50 | H51 | 120.4° | 120.1° |
| C21 | C22 | H52 | H53 | 119.7° | 120.0° |
| C8 | C9 | C4 | C5 | 2.2° | 0.1° |
| C8 | C9 | C4 | H40 | 180.0° | 179.6° |
| C8 | C9 | C4 | N3 | 175.3° | 179.9° |
| N2 | C5 | C4 | C9 | 179.9° | 180.0° |
| N2 | C5 | C4 | N3 | 1.8° | 0.0° |
| C5 | N2 | C1 | N3 | 0.5° | 0.4° |
| C5 | N2 | C1 | C27 | 178.6° | 179.7° |
| N2 | C5 | C6 | H39 | 2.2° | 0.0° |
| C4 | C5 | N2 | C1 | 0.8° | 0.3° |
| C5 | C4 | C9 | N3 | 177.5° | 180.0° |
| C5 | C4 | N3 | C1 | 2.0° | 0.2° |
| C5 | C4 | N3 | C10 | 167.2° | 180.0° |
| C4 | C5 | C6 | H39 | 172.5° | 179.7° |
| C5 | C4 | C9 | H40 | 177.8° | 179.7° |
| N2 | C1 | N3 | C4 | 1.7° | 0.4° |
| N2 | C1 | N3 | C27 | 178.0° | 179.9° |
| N2 | C1 | C27 | C26 | 10.0° | 5.8° |
| N2 | C1 | N3 | C10 | 166.1° | 179.8° |
| N2 | C1 | C27 | N28 | 172.2° | 174.2° |
| C35 | C34 | N30 | C26 | 2.9° | 0.1° |
| C35 | C34 | N30 | N33 | 178.7° | 180.0° |
| C35 | C34 | N30 | C31 | 177.7° | 180.0° |
| C35 | C34 | N33 | N32 | 176.8° | 180.0° |
| C34 | C35 | H63 | H64 | 120.0° | 120.0° |
| C34 | C35 | H63 | H62 | 120.0° | 120.1° |
| C34 | C35 | H64 | H62 | 120.0° | 120.0° |
| C9 | C4 | N3 | C1 | 179.9° | 179.8° |
| C9 | C4 | N3 | C10 | 15.0° | 0.0° |
| C4 | N3 | C1 | C10 | 164.4° | 179.8° |
| C4 | N3 | C1 | C27 | 179.6° | 179.7° |
| C4 | N3 | C10 | C23 | 63.1° | 111.3° |
| C4 | N3 | C10 | C11 | 67.0° | 8.7° |
| C4 | N3 | C10 | H41 | 178.9° | 128.7° |
| N3 | C4 | C9 | H40 | 4.7° | 0.3° |
| N3 | C1 | C27 | C26 | 172.1° | 174.0° |
| N3 | C1 | C27 | N28 | 5.7° | 6.0° |
| C1 | N3 | C10 | C23 | 135.2° | 69.0° |
| C1 | N3 | C10 | C11 | 94.6° | 171.0° |
| C1 | N3 | C10 | H41 | 19.5° | 51.0° |
| C1 | C27 | C26 | N28 | 177.7° | 179.9° |
| C1 | C27 | C26 | N30 | 179.2° | 180.0° |
| C27 | C1 | N3 | C10 | 15.9° | 0.1° |
| C1 | C27 | N28 | C25 | 178.5° | 179.9° |
| C1 | C27 | C26 | H60 | 0.8° | 0.4° |
| C27 | C26 | N30 | H60 | 180.0° | 179.6° |
| C27 | C26 | N30 | C34 | 179.3° | 180.0° |
| C27 | C26 | N30 | C31 | 1.4° | 0.1° |
| C26 | C27 | N28 | C25 | 0.8° | 0.0° |
| C26 | N30 | C34 | C31 | 179.4° | 179.9° |
| C26 | N30 | C34 | N33 | 178.4° | 179.9° |
| N30 | C26 | C27 | N28 | 1.5° | 0.1° |
| C26 | N30 | C31 | N32 | 179.6° | 179.9° |
| C26 | N30 | C31 | C25 | 0.6° | 0.0° |
| N3 | C10 | C23 | C11 | 126.1° | 120.1° |
| N3 | C10 | C23 | H41 | 116.0° | 119.9° |
| N3 | C10 | C11 | H41 | 114.3° | 120.0° |
| N3 | C10 | C11 | C12 | 55.2° | 87.6° |
| N3 | C10 | C11 | C16 | 125.9° | 91.5° |
| N3 | C10 | C23 | H55 | 180.0° | 56.5° |
| N3 | C10 | C23 | H56 | 60.0° | 176.4° |
| N3 | C10 | C23 | H54 | 60.0° | 63.5° |
| N30 | C34 | N33 | N32 | 1.8° | 0.0° |
| C34 | N30 | C31 | N32 | 0.2° | 0.0° |
| C34 | N30 | C31 | C25 | 179.9° | 180.0° |
| C34 | N30 | C26 | H60 | 0.7° | 0.4° |
| N30 | C34 | C35 | H63 | 178.4° | 90.0° |
| N30 | C34 | C35 | H64 | 61.6° | 150.0° |
| N30 | C34 | C35 | H62 | 58.4° | 30.0° |
| N33 | C34 | N30 | C31 | 1.0° | 0.0° |
| C34 | N33 | N32 | C31 | 1.9° | 0.1° |
| N33 | C34 | C35 | H63 | 0.0° | 90.0° |
| N33 | C34 | C35 | H64 | 120.0° | 30.0° |
| N33 | C34 | C35 | H62 | 120.0° | 150.0° |
| C27 | N28 | C25 | C31 | 0.0° | 0.0° |
| C27 | N28 | C25 | N29 | 179.0° | 180.0° |
| N28 | C27 | C26 | H60 | 178.5° | 179.7° |
| N30 | C31 | N32 | N33 | 1.2° | 0.0° |
| N30 | C31 | C25 | N28 | 0.1° | 0.0° |
| N30 | C31 | N32 | C25 | 179.7° | 179.9° |
| N30 | C31 | C25 | N29 | 178.9° | 180.0° |
| C31 | N30 | C26 | H60 | 178.6° | 179.7° |
| N33 | N32 | C31 | C25 | 179.1° | 180.0° |
| C23 | C10 | C11 | H41 | 118.0° | 120.0° |
| C23 | C10 | C11 | C12 | 177.2° | 32.4° |
| C23 | C10 | C11 | C16 | 1.7° | 148.4° |
| C10 | C23 | H55 | H56 | 120.0° | 120.0° |
| C10 | C23 | H55 | H54 | 120.0° | 120.0° |
| C10 | C23 | H56 | H54 | 120.0° | 120.1° |
| C10 | C11 | C12 | C16 | 179.0° | 179.1° |
| C10 | C11 | C12 | C13 | 179.2° | 179.7° |
| C10 | C11 | C16 | C15 | 179.2° | 180.0° |
| C10 | C11 | C12 | H42 | 0.8° | 0.3° |
| C10 | C11 | C16 | H46 | 0.8° | 0.0° |
| C11 | C10 | C23 | H55 | 54.0° | 63.6° |
| C11 | C10 | C23 | H56 | 173.9° | 56.4° |
| C11 | C10 | C23 | H54 | 66.1° | 176.4° |
| N28 | C25 | C31 | N32 | 179.5° | 179.9° |
| N28 | C25 | C31 | N29 | 179.1° | 180.0° |
| N28 | C25 | N29 | C36 | 9.6° | 1.8° |
| N28 | C25 | N29 | H61 | 131.3° | 178.3° |
| C11 | C12 | C13 | H42 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.9° |
| C12 | C11 | C10 | H41 | 59.2° | 152.4° |
| C11 | C12 | C13 | H43 | 179.8° | 179.8° |
| C12 | C11 | C16 | H46 | 179.7° | 179.2° |
| C13 | C12 | C11 | C16 | 0.2° | 0.5° |
| C12 | C13 | C14 | H43 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.2° | 0.2° |
| C12 | C13 | C14 | H44 | 179.8° | 179.7° |
| N32 | C31 | C25 | N29 | 1.4° | 0.1° |
| C31 | C25 | N29 | C36 | 169.5° | 178.2° |
| C31 | C25 | N29 | H61 | 47.8° | 1.7° |
| C11 | C16 | C15 | H46 | 180.0° | 179.9° |
| C11 | C16 | C15 | C14 | 0.3° | 0.7° |
| C16 | C11 | C10 | H41 | 119.7° | 28.5° |
| C11 | C16 | C15 | H45 | 179.7° | 179.5° |
| C16 | C11 | C12 | H42 | 179.7° | 179.5° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C13 | C14 | C15 | H44 | 180.0° | 179.9° |
| C13 | C14 | C15 | H45 | 179.7° | 180.0° |
| C14 | C13 | C12 | H42 | 179.8° | 180.0° |
| C25 | N29 | C36 | H61 | 121.7° | 179.9° |
| C25 | N29 | C36 | C37 | 78.7° | 84.6° |
| C25 | N29 | C36 | C38 | 156.1° | 155.5° |
| C25 | N29 | C36 | H65 | 39.4° | 35.5° |
| C16 | C15 | C14 | H45 | 180.0° | 179.8° |
| C16 | C15 | C14 | H44 | 179.7° | 180.0° |
| C15 | C14 | C13 | H43 | 179.8° | 180.0° |
| C14 | C15 | C16 | H46 | 179.7° | 179.4° |
| N29 | C36 | C37 | C38 | 123.3° | 120.0° |
| N29 | C36 | C37 | H65 | 118.6° | 120.1° |
| N29 | C36 | C38 | H65 | 117.1° | 120.0° |
| N29 | C36 | C37 | H67 | 180.0° | 64.7° |
| N29 | C36 | C37 | H68 | 60.0° | 175.4° |
| N29 | C36 | C37 | H66 | 60.0° | 55.3° |
| N29 | C36 | C38 | H71 | 180.0° | 60.0° |
| N29 | C36 | C38 | H69 | 60.0° | 180.0° |
| N29 | C36 | C38 | H70 | 60.0° | 60.0° |
| C37 | C36 | C38 | H65 | 118.0° | 120.0° |
| C37 | C36 | N29 | H61 | 43.0° | 95.4° |
| C36 | C37 | H67 | H68 | 120.0° | 120.0° |
| C36 | C37 | H67 | H66 | 120.0° | 119.9° |
| C36 | C37 | H68 | H66 | 120.0° | 120.0° |
| C37 | C36 | C38 | H71 | 55.2° | 180.0° |
| C37 | C36 | C38 | H69 | 64.9° | 60.0° |
| C37 | C36 | C38 | H70 | 175.2° | 60.0° |
| C38 | C36 | N29 | H61 | 82.2° | 24.6° |
| C38 | C36 | C37 | H67 | 56.7° | 55.3° |
| C38 | C36 | C37 | H68 | 176.7° | 64.7° |
| C38 | C36 | C37 | H66 | 63.3° | 175.3° |
| C36 | C38 | H71 | H69 | 120.0° | 120.0° |
| C36 | C38 | H71 | H70 | 120.0° | 120.0° |
| C36 | C38 | H69 | H70 | 119.9° | 120.0° |
| H41 | C10 | C23 | H55 | 64.0° | 176.4° |
| H41 | C10 | C23 | H56 | 56.0° | 63.6° |
| H41 | C10 | C23 | H54 | 176.0° | 56.4° |
| H43 | C13 | C12 | H42 | 0.2° | 0.2° |
| H43 | C13 | C14 | H44 | 0.2° | 0.1° |
| H45 | C15 | C14 | H44 | 0.3° | 0.1° |
| H45 | C15 | C16 | H46 | 0.4° | 0.5° |
| H50 | C21 | C22 | H52 | 177.3° | 177.0° |
| H50 | C21 | C22 | H53 | 62.9° | 56.9° |
| H51 | C21 | C22 | H52 | 62.4° | 56.9° |
| H51 | C21 | C22 | H53 | 57.4° | 63.2° |
| H57 | C24 | H58 | H59 | 119.9° | 120.0° |
| H57 | C24 | C18 | H47 | 64.5° | 177.8° |
| H58 | C24 | C18 | H47 | 175.4° | 57.9° |
| H59 | C24 | C18 | H47 | 55.5° | 62.1° |
| H47 | C18 | C19 | H48 | 2.2° | 56.9° |
| H47 | C18 | C19 | H49 | 119.8° | 177.0° |
| H55 | C23 | H56 | H54 | 120.0° | 120.0° |
| H61 | N29 | C36 | H65 | 161.1° | 144.6° |
| H63 | C35 | H64 | H62 | 120.0° | 119.9° |
| H65 | C36 | C37 | H67 | 61.4° | 175.3° |
| H65 | C36 | C37 | H68 | 58.6° | 55.3° |
| H65 | C36 | C37 | H66 | 178.6° | 64.8° |
| H65 | C36 | C38 | H71 | 62.9° | 60.0° |
| H65 | C36 | C38 | H69 | 177.1° | 60.0° |
| H65 | C36 | C38 | H70 | 57.1° | 180.0° |
| H67 | C37 | H68 | H66 | 120.0° | 120.1° |
| H71 | C38 | H69 | H70 | 120.0° | 120.0° |
