493
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | O28 | sing | 1.36Å | 1.34Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | P71 | sing | 1.81Å | 1.84Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C9 | sing | 1.51Å | 1.49Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | O28 | sing | 1.43Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72A | sing | 1.09Å | 1.11Å | |
| C8 | O79 | sing | 1.34Å | 1.34Å | |
| C8 | O80 | doub | 1.21Å | 1.21Å | |
| C9 | C10 | sing | 1.53Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | N13 | sing | 1.46Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C11 | N12 | sing | 1.35Å | 1.34Å | |
| C11 | O17 | doub | 1.21Å | 1.20Å | |
| N12 | C18 | sing | 1.47Å | 1.42Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| N13 | C14 | sing | 1.35Å | 1.31Å | |
| N13 | H13 | sing | 0.97Å | 1.02Å | |
| C14 | C15 | sing | 1.51Å | 1.57Å | |
| C14 | O16 | doub | 1.21Å | 1.22Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.47Å | |
| C18 | C24 | sing | 1.51Å | 1.58Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.52Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.52Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | N23 | sing | 1.47Å | 1.50Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| N23 | C24 | sing | 1.34Å | 1.46Å | |
| N23 | C25 | sing | 1.47Å | 1.53Å | |
| C24 | O27 | doub | 1.21Å | 1.29Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C49 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C53 | doub | 1.38Å | 1.46Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.41Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.10Å | |
| C50 | C51 | sing | 1.39Å | 1.45Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.10Å | |
| C51 | C52 | doub | 1.39Å | 1.42Å | Aromatic |
| C51 | C58 | sing | 1.48Å | 1.48Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.46Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C58 | C59 | sing | 1.39Å | 1.42Å | Aromatic |
| C58 | C63 | doub | 1.39Å | 1.39Å | Aromatic |
| C59 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.10Å | |
| C60 | C61 | sing | 1.38Å | 1.37Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.10Å | |
| C61 | C62 | doub | 1.38Å | 1.35Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.10Å | |
| C62 | C63 | sing | 1.38Å | 1.46Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| P71 | O72 | sing | 1.61Å | 1.58Å | |
| P71 | O73 | doub | 1.48Å | 1.72Å | |
| P71 | O74 | sing | 1.61Å | 1.87Å | |
| O72 | H72 | sing | 0.97Å | 0.95Å | |
| O74 | H74 | sing | 0.97Å | 0.95Å | |
| O79 | H79 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.5° | 120.1° |
| C2 | C1 | H1 | 117.8° | 119.9° |
| C1 | C2 | C3 | 114.8° | 119.9° |
| C1 | C2 | H2 | 122.6° | 120.1° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | C5 | 124.7° | 120.1° |
| C1 | C6 | C9 | 110.1° | 119.9° |
| C3 | C2 | H2 | 122.6° | 120.0° |
| C2 | C3 | C4 | 123.9° | 119.9° |
| C2 | C3 | O28 | 105.3° | 120.1° |
| C4 | C3 | O28 | 130.7° | 120.1° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | P71 | 120.2° | 120.0° |
| C3 | O28 | C7 | 124.4° | 106.8° |
| C5 | C4 | P71 | 118.5° | 120.0° |
| C4 | C5 | C6 | 112.7° | 120.0° |
| C4 | C5 | H5 | 124.6° | 120.0° |
| C4 | P71 | O72 | 112.6° | 109.5° |
| C4 | P71 | O73 | 99.8° | 109.5° |
| C4 | P71 | O74 | 107.8° | 109.5° |
| C6 | C5 | H5 | 122.7° | 120.0° |
| C5 | C6 | C9 | 125.1° | 120.0° |
| C6 | C9 | C10 | 100.3° | 109.5° |
| C6 | C9 | H91 | 115.7° | 109.5° |
| C6 | C9 | H92 | 115.7° | 109.5° |
| C8 | C7 | O28 | 107.8° | 109.5° |
| C8 | C7 | H71 | 112.8° | 109.4° |
| C8 | C7 | H72A | 112.8° | 109.5° |
| C7 | C8 | O79 | 103.0° | 120.0° |
| C7 | C8 | O80 | 128.5° | 120.0° |
| O28 | C7 | H71 | 112.8° | 109.4° |
| O28 | C7 | H72A | 112.9° | 109.6° |
| H71 | C7 | H72A | 97.6° | 109.5° |
| O79 | C8 | O80 | 128.5° | 119.9° |
| C8 | O79 | H79 | 103.0° | 120.0° |
| C10 | C9 | H91 | 115.7° | 109.4° |
| C10 | C9 | H92 | 115.7° | 109.4° |
| C9 | C10 | C11 | 109.7° | 109.5° |
| C9 | C10 | N13 | 105.7° | 109.5° |
| C9 | C10 | H10 | 111.3° | 109.4° |
| H91 | C9 | H92 | 94.7° | 109.5° |
| C11 | C10 | N13 | 108.2° | 109.5° |
| C11 | C10 | H10 | 109.0° | 109.5° |
| C10 | C11 | N12 | 118.2° | 120.0° |
| C10 | C11 | O17 | 118.9° | 120.0° |
| N13 | C10 | H10 | 112.8° | 109.5° |
| C10 | N13 | C14 | 121.3° | 120.0° |
| C10 | N13 | H13 | 126.7° | 120.0° |
| N12 | C11 | O17 | 122.9° | 120.0° |
| C11 | N12 | C18 | 120.1° | 120.0° |
| C11 | N12 | H12 | 117.3° | 120.0° |
| C18 | N12 | H12 | 122.6° | 120.0° |
| N12 | C18 | C19 | 102.3° | 109.7° |
| N12 | C18 | C24 | 113.4° | 109.7° |
| N12 | C18 | H18 | 113.1° | 109.6° |
| C14 | N13 | H13 | 112.0° | 120.0° |
| N13 | C14 | C15 | 106.0° | 120.0° |
| N13 | C14 | O16 | 121.8° | 119.9° |
| C15 | C14 | O16 | 131.3° | 120.1° |
| C14 | C15 | H151 | 106.1° | 109.5° |
| C14 | C15 | H152 | 113.5° | 109.5° |
| C14 | C15 | H153 | 113.4° | 109.6° |
| H151 | C15 | H152 | 113.5° | 109.4° |
| H151 | C15 | H153 | 113.5° | 109.4° |
| H152 | C15 | H153 | 97.0° | 109.5° |
| C19 | C18 | C24 | 113.4° | 108.7° |
| C19 | C18 | H18 | 113.1° | 109.6° |
| C18 | C19 | C20 | 114.0° | 110.7° |
| C18 | C19 | H191 | 110.6° | 109.2° |
| C18 | C19 | H192 | 110.6° | 109.3° |
| C24 | C18 | H18 | 101.9° | 109.6° |
| C18 | C24 | N23 | 117.9° | 120.0° |
| C18 | C24 | O27 | 121.2° | 120.1° |
| C20 | C19 | H191 | 110.5° | 109.2° |
| C20 | C19 | H192 | 110.5° | 109.2° |
| C19 | C20 | C21 | 117.3° | 113.8° |
| C19 | C20 | H201 | 109.4° | 108.7° |
| C19 | C20 | H202 | 109.3° | 108.6° |
| H191 | C19 | H192 | 99.7° | 109.2° |
| C21 | C20 | H201 | 109.4° | 108.6° |
| C21 | C20 | H202 | 109.4° | 108.6° |
| C20 | C21 | C22 | 118.9° | 110.9° |
| C20 | C21 | H211 | 108.8° | 109.2° |
| C20 | C21 | H212 | 108.8° | 109.2° |
| H201 | C20 | H202 | 100.8° | 108.5° |
| C22 | C21 | H211 | 108.8° | 109.2° |
| C22 | C21 | H212 | 108.8° | 109.2° |
| C21 | C22 | N23 | 113.8° | 108.7° |
| C21 | C22 | H221 | 110.6° | 109.6° |
| C21 | C22 | H222 | 110.6° | 109.6° |
| H211 | C21 | H212 | 101.2° | 109.1° |
| N23 | C22 | H221 | 110.6° | 109.6° |
| N23 | C22 | H222 | 110.6° | 109.6° |
| C22 | N23 | C24 | 120.8° | 120.5° |
| C22 | N23 | C25 | 116.8° | 119.7° |
| H221 | C22 | H222 | 99.7° | 109.8° |
| C24 | N23 | C25 | 120.3° | 119.8° |
| N23 | C24 | O27 | 120.9° | 119.9° |
| N23 | C25 | C26 | 110.1° | 109.5° |
| N23 | C25 | H251 | 112.0° | 109.5° |
| N23 | C25 | H252 | 112.0° | 109.4° |
| C26 | C25 | H251 | 111.9° | 109.5° |
| C26 | C25 | H252 | 111.9° | 109.5° |
| C25 | C26 | C49 | 122.0° | 119.8° |
| C25 | C26 | C53 | 117.7° | 119.9° |
| H251 | C25 | H252 | 98.5° | 109.4° |
| C49 | C26 | C53 | 119.9° | 120.2° |
| C26 | C49 | C50 | 120.3° | 120.1° |
| C26 | C49 | H49 | 118.7° | 119.9° |
| C26 | C53 | C52 | 119.8° | 120.1° |
| C26 | C53 | H53 | 120.3° | 119.9° |
| C50 | C49 | H49 | 121.1° | 119.9° |
| C49 | C50 | C51 | 122.0° | 119.9° |
| C49 | C50 | H50 | 117.8° | 120.1° |
| C51 | C50 | H50 | 120.2° | 120.0° |
| C50 | C51 | C52 | 118.6° | 119.7° |
| C50 | C51 | C58 | 124.2° | 120.2° |
| C52 | C51 | C58 | 117.2° | 120.1° |
| C51 | C52 | C53 | 119.0° | 119.9° |
| C51 | C52 | H52 | 119.1° | 120.0° |
| C51 | C58 | C59 | 121.8° | 120.2° |
| C51 | C58 | C63 | 123.6° | 120.1° |
| C53 | C52 | H52 | 121.8° | 120.1° |
| C52 | C53 | H53 | 119.9° | 120.0° |
| C59 | C58 | C63 | 114.1° | 119.7° |
| C58 | C59 | C60 | 128.1° | 119.9° |
| C58 | C59 | H59 | 117.6° | 120.0° |
| C58 | C63 | C62 | 119.5° | 119.9° |
| C58 | C63 | H63 | 118.1° | 120.0° |
| C60 | C59 | H59 | 114.2° | 120.0° |
| C59 | C60 | C61 | 113.9° | 120.1° |
| C59 | C60 | H60 | 123.2° | 120.0° |
| C61 | C60 | H60 | 122.9° | 119.9° |
| C60 | C61 | C62 | 123.9° | 120.2° |
| C60 | C61 | H61 | 119.0° | 119.9° |
| C62 | C61 | H61 | 117.2° | 119.9° |
| C61 | C62 | C63 | 119.9° | 120.1° |
| C61 | C62 | H62 | 116.3° | 119.9° |
| C63 | C62 | H62 | 123.8° | 119.9° |
| C62 | C63 | H63 | 122.4° | 120.1° |
| O72 | P71 | O73 | 111.7° | 109.4° |
| O72 | P71 | O74 | 116.7° | 109.5° |
| P71 | O72 | H72 | 112.6° | 106.8° |
| O73 | P71 | O74 | 106.8° | 109.5° |
| P71 | O74 | H74 | 107.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.0° | 0.1° |
| C1 | C2 | C3 | O28 | 173.5° | 180.0° |
| C2 | C1 | C6 | C5 | 2.4° | 0.2° |
| C2 | C1 | C6 | C9 | 176.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.0° |
| C6 | C1 | C2 | H2 | 179.2° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | C9 | 178.6° | 179.8° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C1 | C6 | C9 | C10 | 77.8° | 90.0° |
| C1 | C6 | C9 | H91 | 47.5° | 150.1° |
| C1 | C6 | C9 | H92 | 157.0° | 30.0° |
| H1 | C1 | C2 | C3 | 179.2° | 180.0° |
| H1 | C1 | C2 | H2 | 0.8° | 0.0° |
| H1 | C1 | C6 | C5 | 177.6° | 179.8° |
| H1 | C1 | C6 | C9 | 3.6° | 0.0° |
| C2 | C3 | C4 | O28 | 175.6° | 179.9° |
| C2 | C3 | C4 | C5 | 5.5° | 0.3° |
| C2 | C3 | C4 | P71 | 178.3° | 180.0° |
| C2 | C3 | O28 | C7 | 176.8° | 0.1° |
| H2 | C2 | C3 | C4 | 176.9° | 180.0° |
| H2 | C2 | C3 | O28 | 6.5° | 0.0° |
| C3 | C4 | C5 | P71 | 176.3° | 179.8° |
| C3 | C4 | C5 | C6 | 3.5° | 0.5° |
| C3 | C4 | C5 | H5 | 176.5° | 179.9° |
| C4 | C3 | O28 | C7 | 6.9° | 180.0° |
| C3 | C4 | P71 | O72 | 177.3° | 90.0° |
| C3 | C4 | P71 | O73 | 64.2° | 30.0° |
| C3 | C4 | P71 | O74 | 47.1° | 150.0° |
| O28 | C3 | C4 | C5 | 170.2° | 179.8° |
| O28 | C3 | C4 | P71 | 6.1° | 0.0° |
| C3 | O28 | C7 | C8 | 121.4° | 180.0° |
| C3 | O28 | C7 | H71 | 113.3° | 60.1° |
| C3 | O28 | C7 | H72A | 3.8° | 59.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | C9 | 178.5° | 179.7° |
| C5 | C4 | P71 | O72 | 6.4° | 89.8° |
| C5 | C4 | P71 | O73 | 112.1° | 150.2° |
| C5 | C4 | P71 | O74 | 136.6° | 30.2° |
| P71 | C4 | C5 | C6 | 179.9° | 179.7° |
| P71 | C4 | C5 | H5 | 0.2° | 0.2° |
| C4 | P71 | O72 | O73 | 111.3° | 120.0° |
| C4 | P71 | O72 | O74 | 125.5° | 120.0° |
| C4 | P71 | O73 | O74 | 112.1° | 120.0° |
| C4 | P71 | O72 | H72 | 180.0° | 180.0° |
| C4 | P71 | O74 | H74 | 180.0° | 60.0° |
| C5 | C6 | C9 | C10 | 101.1° | 90.2° |
| C5 | C6 | C9 | H91 | 133.7° | 29.8° |
| C5 | C6 | C9 | H92 | 24.2° | 149.8° |
| H5 | C5 | C6 | C9 | 1.5° | 0.2° |
| C6 | C9 | C10 | H91 | 125.2° | 120.0° |
| C6 | C9 | C10 | H92 | 125.3° | 120.0° |
| C6 | C9 | H91 | H92 | 121.5° | 120.1° |
| C6 | C9 | C10 | C11 | 172.7° | 180.0° |
| C6 | C9 | C10 | N13 | 70.8° | 60.0° |
| C6 | C9 | C10 | H10 | 52.0° | 60.0° |
| C8 | C7 | O28 | H71 | 125.2° | 119.9° |
| C8 | C7 | O28 | H72A | 125.3° | 120.1° |
| C8 | C7 | H71 | H72A | 118.8° | 120.0° |
| C7 | C8 | O79 | O80 | 178.6° | 180.0° |
| C7 | C8 | O79 | H79 | 180.0° | 179.9° |
| O28 | C7 | H71 | H72A | 118.8° | 120.1° |
| O28 | C7 | C8 | O79 | 135.1° | 180.0° |
| O28 | C7 | C8 | O80 | 43.5° | 0.0° |
| H71 | C7 | C8 | O79 | 9.9° | 60.0° |
| H71 | C7 | C8 | O80 | 168.7° | 120.0° |
| H72A | C7 | C8 | O79 | 99.6° | 59.9° |
| H72A | C7 | C8 | O80 | 81.8° | 120.1° |
| O80 | C8 | O79 | H79 | 1.4° | 0.1° |
| C10 | C9 | H91 | H92 | 121.6° | 119.9° |
| C9 | C10 | C11 | N13 | 114.9° | 120.0° |
| C9 | C10 | C11 | H10 | 122.1° | 119.9° |
| C9 | C10 | N13 | H10 | 121.9° | 120.0° |
| C9 | C10 | C11 | N12 | 97.5° | 90.0° |
| C9 | C10 | C11 | O17 | 82.2° | 90.0° |
| C9 | C10 | N13 | C14 | 144.6° | 60.0° |
| C9 | C10 | N13 | H13 | 35.3° | 120.0° |
| H91 | C9 | C10 | C11 | 47.5° | 60.0° |
| H91 | C9 | C10 | N13 | 164.0° | 180.0° |
| H91 | C9 | C10 | H10 | 73.2° | 60.0° |
| H92 | C9 | C10 | C11 | 62.0° | 60.0° |
| H92 | C9 | C10 | N13 | 54.5° | 60.0° |
| H92 | C9 | C10 | H10 | 177.3° | 179.9° |
| C11 | C10 | N13 | H10 | 120.7° | 120.0° |
| C10 | C11 | N12 | O17 | 179.7° | 179.9° |
| C10 | C11 | N12 | C18 | 164.3° | 180.0° |
| C10 | C11 | N12 | H12 | 15.7° | 0.1° |
| C11 | C10 | N13 | C14 | 97.9° | 60.0° |
| C11 | C10 | N13 | H13 | 82.1° | 120.0° |
| N13 | C10 | C11 | N12 | 147.7° | 150.0° |
| N13 | C10 | C11 | O17 | 32.6° | 30.0° |
| C10 | N13 | C14 | H13 | 180.0° | 180.0° |
| C10 | N13 | C14 | C15 | 149.7° | 180.0° |
| C10 | N13 | C14 | O16 | 20.9° | 0.0° |
| H10 | C10 | C11 | N12 | 24.7° | 29.9° |
| H10 | C10 | C11 | O17 | 155.6° | 150.0° |
| H10 | C10 | N13 | C14 | 22.8° | 180.0° |
| H10 | C10 | N13 | H13 | 157.2° | 0.0° |
| C11 | N12 | C18 | H12 | 180.0° | 179.9° |
| C11 | N12 | C18 | C19 | 175.1° | 163.3° |
| C11 | N12 | C18 | C24 | 62.3° | 77.5° |
| C11 | N12 | C18 | H18 | 53.1° | 42.9° |
| O17 | C11 | N12 | C18 | 15.4° | 0.1° |
| O17 | C11 | N12 | H12 | 164.6° | 179.9° |
| N12 | C18 | C19 | C24 | 122.5° | 119.8° |
| N12 | C18 | C19 | H18 | 122.0° | 120.4° |
| N12 | C18 | C24 | H18 | 121.9° | 120.4° |
| N12 | C18 | C19 | C20 | 157.8° | 34.8° |
| N12 | C18 | C19 | H191 | 32.5° | 85.5° |
| N12 | C18 | C19 | H192 | 77.0° | 155.1° |
| N12 | C18 | C24 | N23 | 164.6° | 48.8° |
| N12 | C18 | C24 | O27 | 13.6° | 131.5° |
| H12 | N12 | C18 | C19 | 4.9° | 16.8° |
| H12 | N12 | C18 | C24 | 117.6° | 102.4° |
| H12 | N12 | C18 | H18 | 126.9° | 137.2° |
| N13 | C14 | C15 | O16 | 169.4° | 179.9° |
| N13 | C14 | C15 | H151 | 180.0° | 180.0° |
| N13 | C14 | C15 | H152 | 54.7° | 60.1° |
| N13 | C14 | C15 | H153 | 54.7° | 60.0° |
| H13 | N13 | C14 | C15 | 30.3° | 0.0° |
| H13 | N13 | C14 | O16 | 159.1° | 180.0° |
| C14 | C15 | H151 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H153 | 125.2° | 120.1° |
| C14 | C15 | H152 | H153 | 119.4° | 120.1° |
| O16 | C14 | C15 | H151 | 10.6° | 0.1° |
| O16 | C14 | C15 | H152 | 135.9° | 120.0° |
| O16 | C14 | C15 | H153 | 114.6° | 119.9° |
| H151 | C15 | H152 | H153 | 119.4° | 119.9° |
| C19 | C18 | C24 | H18 | 121.9° | 119.8° |
| C18 | C19 | C20 | H191 | 125.3° | 120.3° |
| C18 | C19 | C20 | H192 | 125.3° | 120.3° |
| C18 | C19 | H191 | H192 | 116.4° | 119.5° |
| C18 | C19 | C20 | C21 | 54.5° | 66.8° |
| C18 | C19 | C20 | H201 | 70.7° | 54.3° |
| C18 | C19 | C20 | H202 | 179.7° | 172.1° |
| C19 | C18 | C24 | N23 | 79.2° | 71.1° |
| C19 | C18 | C24 | O27 | 102.5° | 108.7° |
| C24 | C18 | C19 | C20 | 79.7° | 85.1° |
| C24 | C18 | C19 | H191 | 155.0° | 154.7° |
| C24 | C18 | C19 | H192 | 45.5° | 35.2° |
| C18 | C24 | N23 | C22 | 15.4° | 0.6° |
| C18 | C24 | N23 | O27 | 178.3° | 179.8° |
| C18 | C24 | N23 | C25 | 178.3° | 179.6° |
| H18 | C18 | C19 | C20 | 35.8° | 155.2° |
| H18 | C18 | C19 | H191 | 89.5° | 34.9° |
| H18 | C18 | C19 | H192 | 161.0° | 84.6° |
| H18 | C18 | C24 | N23 | 42.7° | 169.1° |
| H18 | C18 | C24 | O27 | 135.6° | 11.1° |
| C20 | C19 | H191 | H192 | 116.3° | 119.3° |
| C19 | C20 | C21 | H201 | 125.2° | 121.2° |
| C19 | C20 | C21 | H202 | 125.2° | 121.1° |
| C19 | C20 | H201 | H202 | 115.1° | 117.9° |
| C19 | C20 | C21 | C22 | 58.3° | 67.0° |
| C19 | C20 | C21 | H211 | 176.4° | 172.6° |
| C19 | C20 | C21 | H212 | 66.9° | 53.3° |
| H191 | C19 | C20 | C21 | 179.8° | 172.9° |
| H191 | C19 | C20 | H201 | 54.6° | 66.0° |
| H191 | C19 | C20 | H202 | 54.9° | 51.8° |
| H192 | C19 | C20 | C21 | 70.8° | 53.5° |
| H192 | C19 | C20 | H201 | 164.0° | 174.6° |
| H192 | C19 | C20 | H202 | 54.5° | 67.6° |
| C21 | C20 | H201 | H202 | 115.2° | 117.8° |
| C20 | C21 | C22 | H211 | 125.3° | 120.4° |
| C20 | C21 | C22 | H212 | 125.3° | 120.4° |
| C20 | C21 | H211 | H212 | 114.5° | 119.3° |
| C20 | C21 | C22 | N23 | 77.3° | 86.5° |
| C20 | C21 | C22 | H221 | 47.9° | 33.3° |
| C20 | C21 | C22 | H222 | 157.5° | 153.8° |
| H201 | C20 | C21 | C22 | 66.9° | 54.1° |
| H201 | C20 | C21 | H211 | 58.4° | 66.2° |
| H201 | C20 | C21 | H212 | 167.8° | 174.5° |
| H202 | C20 | C21 | C22 | 176.4° | 171.9° |
| H202 | C20 | C21 | H211 | 51.1° | 51.5° |
| H202 | C20 | C21 | H212 | 58.3° | 67.8° |
| C22 | C21 | H211 | H212 | 114.5° | 119.3° |
| C21 | C22 | N23 | H221 | 125.2° | 119.8° |
| C21 | C22 | N23 | H222 | 125.2° | 119.7° |
| C21 | C22 | H221 | H222 | 116.5° | 120.4° |
| C21 | C22 | N23 | C24 | 51.9° | 72.1° |
| C21 | C22 | N23 | C25 | 111.6° | 108.0° |
| H211 | C21 | C22 | N23 | 157.4° | 153.2° |
| H211 | C21 | C22 | H221 | 77.4° | 87.1° |
| H211 | C21 | C22 | H222 | 32.2° | 33.4° |
| H212 | C21 | C22 | N23 | 47.9° | 33.9° |
| H212 | C21 | C22 | H221 | 173.2° | 153.6° |
| H212 | C21 | C22 | H222 | 77.3° | 85.8° |
| N23 | C22 | H221 | H222 | 116.5° | 120.4° |
| C22 | N23 | C24 | C25 | 162.9° | 179.8° |
| C22 | N23 | C24 | O27 | 166.3° | 179.7° |
| C22 | N23 | C25 | C26 | 77.3° | 90.0° |
| C22 | N23 | C25 | H251 | 157.5° | 30.0° |
| C22 | N23 | C25 | H252 | 48.0° | 150.0° |
| H221 | C22 | N23 | C24 | 73.3° | 47.6° |
| H221 | C22 | N23 | C25 | 123.2° | 132.2° |
| H222 | C22 | N23 | C24 | 177.1° | 168.1° |
| H222 | C22 | N23 | C25 | 13.6° | 11.7° |
| C24 | N23 | C25 | C26 | 86.3° | 89.8° |
| C24 | N23 | C25 | H251 | 38.9° | 150.1° |
| C24 | N23 | C25 | H252 | 148.5° | 30.2° |
| C25 | N23 | C24 | O27 | 3.4° | 0.2° |
| N23 | C25 | C26 | H251 | 125.3° | 120.1° |
| N23 | C25 | C26 | H252 | 125.3° | 120.0° |
| N23 | C25 | H251 | H252 | 117.9° | 120.0° |
| N23 | C25 | C26 | C49 | 114.8° | 90.3° |
| N23 | C25 | C26 | C53 | 57.8° | 90.0° |
| C26 | C25 | H251 | H252 | 117.8° | 120.0° |
| C25 | C26 | C49 | C53 | 172.4° | 179.7° |
| C25 | C26 | C49 | C50 | 176.8° | 179.8° |
| C25 | C26 | C49 | H49 | 3.2° | 0.3° |
| C25 | C26 | C53 | C52 | 176.9° | 180.0° |
| C25 | C26 | C53 | H53 | 3.1° | 0.0° |
| H251 | C25 | C26 | C49 | 119.9° | 29.7° |
| H251 | C25 | C26 | C53 | 67.5° | 150.0° |
| H252 | C25 | C26 | C49 | 10.5° | 149.7° |
| H252 | C25 | C26 | C53 | 176.9° | 30.0° |
| C26 | C49 | C50 | H49 | 180.0° | 179.5° |
| C26 | C49 | C50 | C51 | 1.0° | 0.5° |
| C26 | C49 | C50 | H50 | 179.1° | 179.7° |
| C49 | C26 | C53 | C52 | 4.2° | 0.3° |
| C49 | C26 | C53 | H53 | 175.8° | 179.7° |
| C53 | C26 | C49 | C50 | 4.3° | 0.5° |
| C53 | C26 | C49 | H49 | 175.7° | 180.0° |
| C26 | C53 | C52 | C51 | 1.3° | 0.0° |
| C26 | C53 | C52 | H53 | 180.0° | 180.0° |
| C26 | C53 | C52 | H52 | 178.7° | 180.0° |
| C49 | C50 | C51 | H50 | 180.0° | 179.7° |
| C49 | C50 | C51 | C52 | 6.4° | 0.3° |
| C49 | C50 | C51 | C58 | 174.3° | 179.8° |
| H49 | C49 | C50 | C51 | 179.1° | 180.0° |
| H49 | C49 | C50 | H50 | 0.9° | 0.3° |
| C50 | C51 | C52 | C58 | 179.3° | 179.9° |
| C50 | C51 | C52 | C53 | 6.4° | 0.0° |
| C50 | C51 | C52 | H52 | 173.7° | 180.0° |
| C50 | C51 | C58 | C59 | 144.6° | 140.0° |
| C50 | C51 | C58 | C63 | 27.5° | 39.8° |
| H50 | C50 | C51 | C52 | 173.6° | 180.0° |
| H50 | C50 | C51 | C58 | 5.6° | 0.0° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | H53 | 178.7° | 180.0° |
| C52 | C51 | C58 | C59 | 34.7° | 40.0° |
| C52 | C51 | C58 | C63 | 153.2° | 140.3° |
| C58 | C51 | C52 | C53 | 174.4° | 179.9° |
| C58 | C51 | C52 | H52 | 5.6° | 0.0° |
| C51 | C58 | C59 | C63 | 172.8° | 179.7° |
| C51 | C58 | C59 | C60 | 165.2° | 179.7° |
| C51 | C58 | C59 | H59 | 14.8° | 0.3° |
| C51 | C58 | C63 | C62 | 168.8° | 180.0° |
| C51 | C58 | C63 | H63 | 11.3° | 0.0° |
| H52 | C52 | C53 | H53 | 1.3° | 0.0° |
| C58 | C59 | C60 | H59 | 180.0° | 179.4° |
| C58 | C59 | C60 | C61 | 3.4° | 0.6° |
| C58 | C59 | C60 | H60 | 176.6° | 179.7° |
| C59 | C58 | C63 | C62 | 3.9° | 0.3° |
| C59 | C58 | C63 | H63 | 176.1° | 179.7° |
| C63 | C58 | C59 | C60 | 7.5° | 0.6° |
| C63 | C58 | C59 | H59 | 172.4° | 180.0° |
| C58 | C63 | C62 | C61 | 3.2° | 0.1° |
| C58 | C63 | C62 | H63 | 180.0° | 180.0° |
| C58 | C63 | C62 | H62 | 176.8° | 180.0° |
| C59 | C60 | C61 | H60 | 180.0° | 179.7° |
| C59 | C60 | C61 | C62 | 4.9° | 0.4° |
| C59 | C60 | C61 | H61 | 175.1° | 179.7° |
| H59 | C59 | C60 | C61 | 176.6° | 180.0° |
| H59 | C59 | C60 | H60 | 3.4° | 0.3° |
| C60 | C61 | C62 | H61 | 180.0° | 179.9° |
| C60 | C61 | C62 | C63 | 8.1° | 0.1° |
| C60 | C61 | C62 | H62 | 171.9° | 180.0° |
| H60 | C60 | C61 | C62 | 175.1° | 179.9° |
| H60 | C60 | C61 | H61 | 4.9° | 0.1° |
| C61 | C62 | C63 | H62 | 180.0° | 179.9° |
| C61 | C62 | C63 | H63 | 176.9° | 180.0° |
| H61 | C61 | C62 | C63 | 171.9° | 180.0° |
| H61 | C61 | C62 | H62 | 8.1° | 0.1° |
| H62 | C62 | C63 | H63 | 3.1° | 0.0° |
| O72 | P71 | O73 | O74 | 128.7° | 120.0° |
| O72 | P71 | O74 | H74 | 52.1° | 60.0° |
| O73 | P71 | O72 | H72 | 68.8° | 60.0° |
| O73 | P71 | O74 | H74 | 73.6° | 180.0° |
| O74 | P71 | O72 | H72 | 54.5° | 60.0° |
