OHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C26 | doub | 1.22Å | 1.22Å | |
| P1 | O1 | sing | 1.61Å | 1.47Å | |
| P1 | O3 | doub | 1.48Å | 1.52Å | |
| P1 | O2 | sing | 1.61Å | 1.53Å | |
| P1 | C9 | sing | 1.82Å | 1.74Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C4 | sing | 1.51Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| O4 | C10 | doub | 1.21Å | 1.19Å | |
| C10 | C11 | sing | 1.47Å | 1.60Å | |
| C17 | C16 | doub | 1.36Å | 1.46Å | Aromatic |
| C17 | C8B | sing | 1.41Å | 1.48Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C16 | C15 | sing | 1.39Å | 1.49Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | C14 | doub | 1.36Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C14 | C4B | sing | 1.41Å | 1.48Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C4B | C8B | doub | 1.42Å | 1.57Å | Aromatic |
| C4B | C13 | sing | 1.41Å | 1.45Å | Aromatic |
| C8B | C18 | sing | 1.41Å | 1.45Å | Aromatic |
| C18 | C11 | doub | 1.38Å | 1.48Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.46Å | 1.57Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C19 | sing | 1.48Å | 1.55Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| O5 | C19 | doub | 1.22Å | 1.22Å | |
| C19 | N1 | sing | 1.35Å | 1.46Å | |
| C1 | C2 | doub | 1.36Å | 1.44Å | Aromatic |
| C1 | C8A | sing | 1.41Å | 1.47Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.36Å | 1.48Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C4A | sing | 1.40Å | 1.52Å | Aromatic |
| C4A | C8A | doub | 1.42Å | 1.57Å | Aromatic |
| C4A | C5 | sing | 1.41Å | 1.50Å | Aromatic |
| C8A | C8 | sing | 1.40Å | 1.49Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.44Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | sing | 1.39Å | 1.49Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | doub | 1.36Å | 1.46Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| N1 | C20 | sing | 1.46Å | 1.51Å | |
| N1 | C21 | sing | 1.46Å | 1.48Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C24 | N2 | sing | 1.47Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| N2 | C23 | sing | 1.47Å | 1.49Å | |
| N2 | C26 | sing | 1.35Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C21 | C25 | sing | 1.53Å | 1.61Å | |
| C21 | H21 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.48Å | 1.56Å | |
| C29 | C28 | doub | 1.36Å | 1.44Å | Aromatic |
| C29 | C4C | sing | 1.41Å | 1.48Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C28 | C27 | sing | 1.41Å | 1.51Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C27 | C34 | doub | 1.38Å | 1.49Å | Aromatic |
| C34 | C8C | sing | 1.40Å | 1.46Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C8C | C4C | doub | 1.42Å | 1.57Å | Aromatic |
| C8C | C33 | sing | 1.41Å | 1.49Å | Aromatic |
| C4C | C30 | sing | 1.40Å | 1.49Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.47Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.39Å | 1.49Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.36Å | 1.46Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C26 | N2 | 123.2° | 120.1° |
| O6 | C26 | C27 | 118.1° | 120.0° |
| O1 | P1 | O3 | 115.7° | 109.5° |
| O1 | P1 | O2 | 118.7° | 109.4° |
| O1 | P1 | C9 | 110.9° | 109.4° |
| P1 | O1 | HO1 | 115.7° | 106.7° |
| O3 | P1 | O2 | 94.4° | 109.5° |
| O3 | P1 | C9 | 105.7° | 109.5° |
| O2 | P1 | C9 | 109.8° | 109.4° |
| P1 | O2 | HO2 | 118.7° | 106.9° |
| P1 | C9 | C10 | 113.1° | 109.4° |
| P1 | C9 | C4 | 113.9° | 109.5° |
| P1 | C9 | H9 | 102.7° | 109.5° |
| C10 | C9 | C4 | 105.9° | 109.5° |
| C10 | C9 | H9 | 111.1° | 109.6° |
| C9 | C10 | O4 | 126.9° | 120.0° |
| C9 | C10 | C11 | 112.5° | 120.0° |
| C4 | C9 | H9 | 110.3° | 109.4° |
| C9 | C4 | C3 | 127.1° | 120.1° |
| C9 | C4 | C4A | 115.9° | 120.2° |
| O4 | C10 | C11 | 120.1° | 120.0° |
| C10 | C11 | C18 | 124.2° | 120.2° |
| C10 | C11 | C12 | 119.6° | 120.1° |
| C16 | C17 | C8B | 119.8° | 119.8° |
| C16 | C17 | H17 | 119.5° | 120.1° |
| C17 | C16 | C15 | 121.2° | 120.9° |
| C17 | C16 | H16 | 118.3° | 119.6° |
| C8B | C17 | H17 | 120.8° | 120.1° |
| C17 | C8B | C4B | 118.7° | 119.3° |
| C17 | C8B | C18 | 122.4° | 120.4° |
| C15 | C16 | H16 | 120.5° | 119.5° |
| C16 | C15 | C14 | 121.4° | 120.9° |
| C16 | C15 | H15 | 120.7° | 119.5° |
| C14 | C15 | H15 | 117.9° | 119.5° |
| C15 | C14 | C4B | 119.6° | 119.8° |
| C15 | C14 | H14 | 119.2° | 120.1° |
| C4B | C14 | H14 | 121.1° | 120.1° |
| C14 | C4B | C8B | 119.3° | 119.2° |
| C14 | C4B | C13 | 121.8° | 120.4° |
| C8B | C4B | C13 | 119.0° | 120.3° |
| C4B | C8B | C18 | 118.8° | 120.3° |
| C4B | C13 | C12 | 121.9° | 119.9° |
| C4B | C13 | H13 | 119.9° | 120.0° |
| C8B | C18 | C11 | 122.9° | 119.9° |
| C8B | C18 | H18 | 117.3° | 120.1° |
| C11 | C18 | H18 | 119.8° | 120.0° |
| C18 | C11 | C12 | 116.1° | 119.7° |
| C11 | C12 | C13 | 121.3° | 119.8° |
| C11 | C12 | C19 | 123.0° | 120.1° |
| C13 | C12 | C19 | 115.7° | 120.1° |
| C12 | C13 | H13 | 118.3° | 120.1° |
| C12 | C19 | O5 | 116.3° | 120.0° |
| C12 | C19 | N1 | 118.0° | 120.0° |
| O5 | C19 | N1 | 125.7° | 120.0° |
| C19 | N1 | C20 | 115.4° | 120.0° |
| C19 | N1 | C21 | 124.3° | 120.0° |
| C2 | C1 | C8A | 121.6° | 119.7° |
| C2 | C1 | H1 | 117.9° | 120.2° |
| C1 | C2 | C3 | 119.5° | 121.0° |
| C1 | C2 | H2 | 119.9° | 119.6° |
| C8A | C1 | H1 | 120.5° | 120.1° |
| C1 | C8A | C4A | 119.6° | 119.3° |
| C1 | C8A | C8 | 120.6° | 121.3° |
| C3 | C2 | H2 | 120.6° | 119.4° |
| C2 | C3 | C4 | 125.1° | 121.0° |
| C2 | C3 | H3 | 116.2° | 119.5° |
| C4 | C3 | H3 | 118.8° | 119.5° |
| C3 | C4 | C4A | 117.0° | 119.6° |
| C4 | C4A | C8A | 117.3° | 119.4° |
| C4 | C4A | C5 | 127.3° | 121.2° |
| C8A | C4A | C5 | 115.4° | 119.3° |
| C4A | C8A | C8 | 119.8° | 119.4° |
| C4A | C5 | C6 | 122.5° | 119.7° |
| C4A | C5 | H5 | 120.1° | 120.2° |
| C8A | C8 | C7 | 121.4° | 119.7° |
| C8A | C8 | H8 | 120.9° | 120.2° |
| C7 | C8 | H8 | 117.7° | 120.1° |
| C8 | C7 | C6 | 120.7° | 121.0° |
| C8 | C7 | H7 | 118.0° | 119.5° |
| C6 | C7 | H7 | 121.3° | 119.5° |
| C7 | C6 | C5 | 120.2° | 121.0° |
| C7 | C6 | H6 | 120.6° | 119.5° |
| C5 | C6 | H6 | 119.2° | 119.6° |
| C6 | C5 | H5 | 117.4° | 120.1° |
| C20 | N1 | C21 | 120.3° | 120.0° |
| N1 | C20 | H201 | 110.0° | 109.5° |
| N1 | C20 | H202 | 115.5° | 109.5° |
| N1 | C20 | H203 | 110.0° | 109.5° |
| N1 | C21 | C22 | 111.8° | 109.5° |
| N1 | C21 | C25 | 112.4° | 109.4° |
| N1 | C21 | H21 | 106.7° | 109.5° |
| H201 | C20 | H202 | 110.0° | 109.5° |
| H201 | C20 | H203 | 100.2° | 109.4° |
| H202 | C20 | H203 | 110.1° | 109.5° |
| N2 | C24 | C25 | 109.3° | 108.8° |
| N2 | C24 | H241 | 112.3° | 109.6° |
| N2 | C24 | H242 | 112.3° | 109.6° |
| C24 | N2 | C23 | 113.2° | 118.7° |
| C24 | N2 | C26 | 119.8° | 120.6° |
| C25 | C24 | H241 | 112.3° | 109.6° |
| C25 | C24 | H242 | 112.3° | 109.6° |
| C24 | C25 | C21 | 111.3° | 109.3° |
| C24 | C25 | H251 | 111.5° | 109.5° |
| C24 | C25 | H252 | 111.5° | 109.5° |
| H241 | C24 | H242 | 98.1° | 109.7° |
| C23 | N2 | C26 | 127.0° | 120.6° |
| N2 | C23 | C22 | 112.6° | 108.8° |
| N2 | C23 | H231 | 111.1° | 109.6° |
| N2 | C23 | H232 | 111.0° | 109.6° |
| N2 | C26 | C27 | 118.7° | 120.0° |
| C22 | C23 | H231 | 111.1° | 109.6° |
| C22 | C23 | H232 | 111.1° | 109.7° |
| C23 | C22 | C21 | 107.0° | 109.4° |
| C23 | C22 | H221 | 113.1° | 109.5° |
| C23 | C22 | H222 | 113.1° | 109.5° |
| H231 | C23 | H232 | 99.3° | 109.7° |
| C21 | C22 | H221 | 113.1° | 109.5° |
| C21 | C22 | H222 | 113.1° | 109.5° |
| C22 | C21 | C25 | 112.0° | 109.6° |
| C22 | C21 | H21 | 107.1° | 109.5° |
| H221 | C22 | H222 | 97.3° | 109.5° |
| C25 | C21 | H21 | 106.4° | 109.4° |
| C21 | C25 | H251 | 111.5° | 109.4° |
| C21 | C25 | H252 | 111.5° | 109.5° |
| H251 | C25 | H252 | 98.9° | 109.5° |
| C26 | C27 | C28 | 120.5° | 119.7° |
| C26 | C27 | C34 | 122.2° | 119.8° |
| C28 | C29 | C4C | 120.7° | 120.0° |
| C28 | C29 | H29 | 118.3° | 120.0° |
| C29 | C28 | C27 | 122.4° | 120.9° |
| C29 | C28 | H28 | 116.5° | 119.6° |
| C4C | C29 | H29 | 121.0° | 120.0° |
| C29 | C4C | C8C | 118.5° | 119.7° |
| C29 | C4C | C30 | 123.4° | 121.1° |
| C27 | C28 | H28 | 121.1° | 119.6° |
| C28 | C27 | C34 | 117.3° | 120.5° |
| C27 | C34 | C8C | 122.9° | 119.5° |
| C27 | C34 | H34 | 119.7° | 120.2° |
| C8C | C34 | H34 | 117.4° | 120.3° |
| C34 | C8C | C4C | 118.2° | 119.5° |
| C34 | C8C | C33 | 122.9° | 121.1° |
| C4C | C8C | C33 | 118.9° | 119.4° |
| C8C | C4C | C30 | 118.1° | 119.3° |
| C8C | C33 | C32 | 120.7° | 119.7° |
| C8C | C33 | H33 | 120.7° | 120.2° |
| C4C | C30 | C31 | 120.4° | 119.7° |
| C4C | C30 | H30 | 120.6° | 120.2° |
| C31 | C30 | H30 | 119.0° | 120.1° |
| C30 | C31 | C32 | 121.4° | 121.0° |
| C30 | C31 | H31 | 118.5° | 119.5° |
| C32 | C31 | H31 | 120.1° | 119.5° |
| C31 | C32 | C33 | 120.5° | 120.9° |
| C31 | C32 | H32 | 120.8° | 119.5° |
| C33 | C32 | H32 | 118.8° | 119.6° |
| C32 | C33 | H33 | 118.6° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C26 | N2 | C24 | 0.4° | 1.6° |
| O6 | C26 | N2 | C23 | 179.4° | 178.4° |
| O6 | C26 | N2 | C27 | 179.9° | 180.0° |
| O6 | C26 | C27 | C28 | 63.9° | 46.3° |
| O6 | C26 | C27 | C34 | 116.4° | 133.5° |
| O1 | P1 | O3 | O2 | 124.9° | 120.0° |
| O1 | P1 | O3 | C9 | 123.2° | 120.0° |
| O1 | P1 | O2 | C9 | 128.9° | 119.9° |
| O1 | P1 | O2 | HO2 | 180.0° | 59.9° |
| O1 | P1 | C9 | C10 | 73.2° | 158.1° |
| O1 | P1 | C9 | C4 | 165.8° | 38.1° |
| O1 | P1 | C9 | H9 | 46.7° | 81.8° |
| O3 | P1 | O2 | C9 | 108.5° | 120.0° |
| O3 | P1 | O1 | HO1 | 180.0° | 55.0° |
| O3 | P1 | O2 | HO2 | 57.5° | 179.9° |
| O3 | P1 | C9 | C10 | 160.7° | 81.9° |
| O3 | P1 | C9 | C4 | 39.7° | 158.2° |
| O3 | P1 | C9 | H9 | 79.5° | 38.2° |
| O2 | P1 | O1 | HO1 | 68.8° | 65.0° |
| O2 | P1 | C9 | C10 | 59.9° | 38.2° |
| O2 | P1 | C9 | C4 | 61.1° | 81.8° |
| O2 | P1 | C9 | H9 | 179.7° | 158.3° |
| C9 | P1 | O1 | HO1 | 59.6° | 175.0° |
| C9 | P1 | O2 | HO2 | 51.0° | 60.0° |
| P1 | C9 | C10 | C4 | 125.4° | 120.0° |
| P1 | C9 | C10 | H9 | 114.8° | 120.0° |
| P1 | C9 | C4 | H9 | 114.8° | 120.0° |
| P1 | C9 | C10 | O4 | 94.5° | 130.7° |
| P1 | C9 | C10 | C11 | 93.7° | 49.5° |
| P1 | C9 | C4 | C3 | 53.2° | 41.5° |
| P1 | C9 | C4 | C4A | 127.0° | 138.2° |
| C10 | C9 | C4 | H9 | 120.3° | 120.1° |
| C9 | C10 | O4 | C11 | 171.2° | 179.9° |
| C9 | C10 | C11 | C18 | 10.5° | 50.6° |
| C9 | C10 | C11 | C12 | 169.7° | 128.9° |
| C10 | C9 | C4 | C3 | 71.7° | 78.5° |
| C10 | C9 | C4 | C4A | 108.1° | 101.9° |
| C4 | C9 | C10 | O4 | 30.9° | 10.7° |
| C4 | C9 | C10 | C11 | 140.9° | 169.5° |
| C9 | C4 | C3 | C2 | 179.9° | 180.0° |
| C9 | C4 | C3 | C4A | 179.7° | 179.6° |
| C9 | C4 | C3 | H3 | 0.1° | 0.0° |
| C9 | C4 | C4A | C8A | 180.0° | 179.8° |
| C9 | C4 | C4A | C5 | 0.1° | 0.7° |
| H9 | C9 | C10 | O4 | 150.7° | 109.3° |
| H9 | C9 | C10 | C11 | 21.1° | 70.6° |
| H9 | C9 | C4 | C3 | 168.0° | 161.5° |
| H9 | C9 | C4 | C4A | 12.3° | 18.2° |
| O4 | C10 | C11 | C18 | 177.1° | 129.2° |
| O4 | C10 | C11 | C12 | 2.8° | 51.3° |
| C10 | C11 | C18 | C8B | 179.5° | 180.0° |
| C10 | C11 | C18 | C12 | 179.8° | 179.5° |
| C10 | C11 | C18 | H18 | 0.5° | 0.2° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C12 | C19 | 0.5° | 0.2° |
| C16 | C17 | C8B | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.1° | 0.1° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C8B | C4B | 0.1° | 0.1° |
| C16 | C17 | C8B | C18 | 179.7° | 179.9° |
| C8B | C17 | C16 | C15 | 0.0° | 0.1° |
| C8B | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C8B | C4B | C14 | 0.2° | 0.0° |
| C17 | C8B | C4B | C18 | 179.6° | 180.0° |
| C17 | C8B | C4B | C13 | 179.5° | 180.0° |
| C17 | C8B | C18 | C11 | 179.3° | 179.7° |
| C17 | C8B | C18 | H18 | 0.7° | 0.0° |
| H17 | C17 | C16 | C15 | 179.9° | 180.0° |
| H17 | C17 | C16 | H16 | 0.1° | 0.1° |
| H17 | C17 | C8B | C4B | 179.9° | 180.0° |
| H17 | C17 | C8B | C18 | 0.3° | 0.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C4B | 0.1° | 0.0° |
| C16 | C15 | C14 | H14 | 179.9° | 179.9° |
| H16 | C16 | C15 | C14 | 179.8° | 180.0° |
| H16 | C16 | C15 | H15 | 0.1° | 0.1° |
| C15 | C14 | C4B | H14 | 180.0° | 179.9° |
| C15 | C14 | C4B | C8B | 0.1° | 0.0° |
| C15 | C14 | C4B | C13 | 179.6° | 180.0° |
| H15 | C15 | C14 | C4B | 179.9° | 180.0° |
| H15 | C15 | C14 | H14 | 0.1° | 0.0° |
| C14 | C4B | C8B | C13 | 179.7° | 180.0° |
| C14 | C4B | C8B | C18 | 179.8° | 180.0° |
| C14 | C4B | C13 | C12 | 179.6° | 180.0° |
| C14 | C4B | C13 | H13 | 0.4° | 0.1° |
| H14 | C14 | C4B | C8B | 179.9° | 180.0° |
| H14 | C14 | C4B | C13 | 0.4° | 0.0° |
| C4B | C8B | C18 | C11 | 0.3° | 0.3° |
| C4B | C8B | C18 | H18 | 179.7° | 180.0° |
| C8B | C4B | C13 | C12 | 0.1° | 0.0° |
| C8B | C4B | C13 | H13 | 179.9° | 179.9° |
| C13 | C4B | C8B | C18 | 0.1° | 0.0° |
| C4B | C13 | C12 | C11 | 0.1° | 0.2° |
| C4B | C13 | C12 | H13 | 180.0° | 179.9° |
| C4B | C13 | C12 | C19 | 179.9° | 180.0° |
| C8B | C18 | C11 | H18 | 180.0° | 179.8° |
| C8B | C18 | C11 | C12 | 0.3° | 0.5° |
| C18 | C11 | C12 | C13 | 0.1° | 0.5° |
| C18 | C11 | C12 | C19 | 179.6° | 179.7° |
| H18 | C18 | C11 | C12 | 179.7° | 179.7° |
| C11 | C12 | C13 | C19 | 179.7° | 179.8° |
| C11 | C12 | C13 | H13 | 179.9° | 179.8° |
| C11 | C12 | C19 | O5 | 101.8° | 53.9° |
| C11 | C12 | C19 | N1 | 77.8° | 126.1° |
| C13 | C12 | C19 | O5 | 78.5° | 125.8° |
| C13 | C12 | C19 | N1 | 101.9° | 54.1° |
| C19 | C12 | C13 | H13 | 0.2° | 0.1° |
| C12 | C19 | O5 | N1 | 179.6° | 179.9° |
| C12 | C19 | N1 | C20 | 179.5° | 5.8° |
| C12 | C19 | N1 | C21 | 0.1° | 174.1° |
| O5 | C19 | N1 | C20 | 0.1° | 174.2° |
| O5 | C19 | N1 | C21 | 179.8° | 5.8° |
| C19 | N1 | C20 | C21 | 179.6° | 179.9° |
| C19 | N1 | C20 | H201 | 54.7° | 7.3° |
| C19 | N1 | C20 | H202 | 180.0° | 127.3° |
| C19 | N1 | C20 | H203 | 54.7° | 112.7° |
| C19 | N1 | C21 | C22 | 108.6° | 120.0° |
| C19 | N1 | C21 | C25 | 124.5° | 119.9° |
| C19 | N1 | C21 | H21 | 8.2° | 0.0° |
| C2 | C1 | C8A | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C8A | C4A | 0.0° | 0.3° |
| C2 | C1 | C8A | C8 | 180.0° | 179.9° |
| C8A | C1 | C2 | C3 | 0.1° | 0.0° |
| C8A | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C8A | C4A | C4 | 0.2° | 0.5° |
| C1 | C8A | C4A | C8 | 180.0° | 179.8° |
| C1 | C8A | C4A | C5 | 179.8° | 179.7° |
| C1 | C8A | C8 | C7 | 179.8° | 180.0° |
| C1 | C8A | C8 | H8 | 0.2° | 0.0° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H1 | C1 | C8A | C4A | 180.0° | 179.8° |
| H1 | C1 | C8A | C8 | 0.0° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C4A | 0.2° | 0.3° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C4A | C8A | 0.3° | 0.6° |
| C3 | C4 | C4A | C5 | 179.7° | 179.7° |
| H3 | C3 | C4 | C4A | 179.9° | 179.7° |
| C4 | C4A | C8A | C5 | 180.0° | 179.1° |
| C4 | C4A | C8A | C8 | 179.8° | 179.6° |
| C4 | C4A | C5 | C6 | 180.0° | 179.7° |
| C4 | C4A | C5 | H5 | 0.0° | 0.6° |
| C4A | C8A | C8 | C7 | 0.3° | 0.2° |
| C4A | C8A | C8 | H8 | 179.8° | 179.8° |
| C8A | C4A | C5 | C6 | 0.1° | 0.6° |
| C8A | C4A | C5 | H5 | 179.9° | 179.7° |
| C5 | C4A | C8A | C8 | 0.3° | 0.5° |
| C4A | C5 | C6 | C7 | 0.1° | 0.3° |
| C4A | C5 | C6 | H5 | 180.0° | 179.7° |
| C4A | C5 | C6 | H6 | 179.9° | 179.7° |
| C8A | C8 | C7 | H8 | 180.0° | 180.0° |
| C8A | C8 | C7 | C6 | 0.1° | 0.0° |
| C8A | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| H8 | C8 | C7 | C6 | 180.0° | 180.0° |
| H8 | C8 | C7 | H7 | 0.0° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| H7 | C7 | C6 | C5 | 179.8° | 180.0° |
| H7 | C7 | C6 | H6 | 0.2° | 0.0° |
| H6 | C6 | C5 | H5 | 0.1° | 0.0° |
| N1 | C20 | H201 | H202 | 128.3° | 120.0° |
| N1 | C20 | H201 | H203 | 115.8° | 120.0° |
| N1 | C20 | H202 | H203 | 125.3° | 120.0° |
| C20 | N1 | C21 | C22 | 71.0° | 59.9° |
| C20 | N1 | C21 | C25 | 55.9° | 60.2° |
| C20 | N1 | C21 | H21 | 172.2° | 180.0° |
| C21 | N1 | C20 | H201 | 124.9° | 172.7° |
| C21 | N1 | C20 | H202 | 0.3° | 52.7° |
| C21 | N1 | C20 | H203 | 125.6° | 67.3° |
| N1 | C21 | C25 | C24 | 179.7° | 178.6° |
| N1 | C21 | C22 | C23 | 177.5° | 178.6° |
| N1 | C21 | C22 | C25 | 127.1° | 120.0° |
| N1 | C21 | C22 | H21 | 116.6° | 120.0° |
| N1 | C21 | C22 | H221 | 57.3° | 58.7° |
| N1 | C21 | C22 | H222 | 52.2° | 61.4° |
| N1 | C21 | C25 | H21 | 116.5° | 119.9° |
| N1 | C21 | C25 | H251 | 55.0° | 61.5° |
| N1 | C21 | C25 | H252 | 54.5° | 58.6° |
| H201 | C20 | H202 | H203 | 109.5° | 120.0° |
| N2 | C24 | C25 | H241 | 125.3° | 119.8° |
| N2 | C24 | C25 | H242 | 125.3° | 119.8° |
| N2 | C24 | H241 | H242 | 118.2° | 120.3° |
| C24 | N2 | C23 | C26 | 179.8° | 180.0° |
| C24 | N2 | C23 | C22 | 62.7° | 53.5° |
| C24 | N2 | C23 | H231 | 172.1° | 66.2° |
| C24 | N2 | C23 | H232 | 62.6° | 173.4° |
| N2 | C24 | C25 | C21 | 50.0° | 54.6° |
| N2 | C24 | C25 | H251 | 175.3° | 65.3° |
| N2 | C24 | C25 | H252 | 75.2° | 174.6° |
| C24 | N2 | C26 | C27 | 179.5° | 178.4° |
| C25 | C24 | H241 | H242 | 118.2° | 120.4° |
| C25 | C24 | N2 | C23 | 55.5° | 53.6° |
| C25 | C24 | N2 | C26 | 124.7° | 126.4° |
| C24 | C25 | C21 | C22 | 52.9° | 61.3° |
| C24 | C25 | C21 | H251 | 125.3° | 119.9° |
| C24 | C25 | C21 | H252 | 125.2° | 120.0° |
| C24 | C25 | C21 | H21 | 63.8° | 58.7° |
| C24 | C25 | H251 | H252 | 117.4° | 120.1° |
| H241 | C24 | N2 | C23 | 69.8° | 66.3° |
| H241 | C24 | N2 | C26 | 110.0° | 113.7° |
| H241 | C24 | C25 | C21 | 75.2° | 65.2° |
| H241 | C24 | C25 | H251 | 50.0° | 174.9° |
| H241 | C24 | C25 | H252 | 159.5° | 54.8° |
| H242 | C24 | N2 | C23 | 179.2° | 173.4° |
| H242 | C24 | N2 | C26 | 0.6° | 6.6° |
| H242 | C24 | C25 | C21 | 175.3° | 174.4° |
| H242 | C24 | C25 | H251 | 59.4° | 54.5° |
| H242 | C24 | C25 | H252 | 50.1° | 65.6° |
| N2 | C23 | C22 | H231 | 125.3° | 119.8° |
| N2 | C23 | C22 | H232 | 125.3° | 119.8° |
| N2 | C23 | H231 | H232 | 116.9° | 120.3° |
| N2 | C23 | C22 | C21 | 60.5° | 54.6° |
| N2 | C23 | C22 | H221 | 64.8° | 174.6° |
| N2 | C23 | C22 | H222 | 174.3° | 65.4° |
| C23 | N2 | C26 | C27 | 0.7° | 1.6° |
| C26 | N2 | C23 | C22 | 117.6° | 126.5° |
| C26 | N2 | C23 | H231 | 7.7° | 113.8° |
| C26 | N2 | C23 | H232 | 117.1° | 6.6° |
| N2 | C26 | C27 | C28 | 116.2° | 133.7° |
| N2 | C26 | C27 | C34 | 63.5° | 46.5° |
| C22 | C23 | H231 | H232 | 117.0° | 120.4° |
| C23 | C22 | C21 | H221 | 125.3° | 120.0° |
| C23 | C22 | C21 | H222 | 125.3° | 120.0° |
| C23 | C22 | H221 | H222 | 119.0° | 120.0° |
| C23 | C22 | C21 | C25 | 55.4° | 61.3° |
| C23 | C22 | C21 | H21 | 60.9° | 58.6° |
| H231 | C23 | C22 | C21 | 174.3° | 65.2° |
| H231 | C23 | C22 | H221 | 60.5° | 54.8° |
| H231 | C23 | C22 | H222 | 49.0° | 174.8° |
| H232 | C23 | C22 | C21 | 64.8° | 174.4° |
| H232 | C23 | C22 | H221 | 170.0° | 65.6° |
| H232 | C23 | C22 | H222 | 60.5° | 54.4° |
| C21 | C22 | H221 | H222 | 119.0° | 120.1° |
| C22 | C21 | C25 | H21 | 116.8° | 120.0° |
| C22 | C21 | C25 | H251 | 178.2° | 58.6° |
| C22 | C21 | C25 | H252 | 72.3° | 178.7° |
| H221 | C22 | C21 | C25 | 69.8° | 178.7° |
| H221 | C22 | C21 | H21 | 173.8° | 61.3° |
| H222 | C22 | C21 | C25 | 179.3° | 58.6° |
| H222 | C22 | C21 | H21 | 64.4° | 178.6° |
| C21 | C25 | H251 | H252 | 117.4° | 120.1° |
| H21 | C21 | C25 | H251 | 61.4° | 178.6° |
| H21 | C21 | C25 | H252 | 170.9° | 61.3° |
| C26 | C27 | C28 | C29 | 179.7° | 180.0° |
| C26 | C27 | C28 | C34 | 179.7° | 179.8° |
| C26 | C27 | C28 | H28 | 0.3° | 0.0° |
| C26 | C27 | C34 | C8C | 179.6° | 179.7° |
| C26 | C27 | C34 | H34 | 0.4° | 0.1° |
| C28 | C29 | C4C | H29 | 180.0° | 180.0° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | C34 | 0.0° | 0.2° |
| C28 | C29 | C4C | C8C | 0.1° | 0.0° |
| C28 | C29 | C4C | C30 | 179.8° | 180.0° |
| C4C | C29 | C28 | C27 | 0.1° | 0.0° |
| C4C | C29 | C28 | H28 | 179.9° | 179.9° |
| C29 | C4C | C8C | C34 | 0.0° | 0.2° |
| C29 | C4C | C8C | C30 | 179.8° | 179.9° |
| C29 | C4C | C8C | C33 | 180.0° | 180.0° |
| C29 | C4C | C30 | C31 | 179.8° | 180.0° |
| C29 | C4C | C30 | H30 | 0.1° | 0.1° |
| H29 | C29 | C28 | C27 | 179.9° | 180.0° |
| H29 | C29 | C28 | H28 | 0.1° | 0.1° |
| H29 | C29 | C4C | C8C | 179.9° | 180.0° |
| H29 | C29 | C4C | C30 | 0.2° | 0.0° |
| C28 | C27 | C34 | C8C | 0.1° | 0.5° |
| C28 | C27 | C34 | H34 | 179.9° | 179.7° |
| H28 | C28 | C27 | C34 | 180.0° | 179.8° |
| C27 | C34 | C8C | H34 | 180.0° | 179.8° |
| C27 | C34 | C8C | C4C | 0.1° | 0.5° |
| C27 | C34 | C8C | C33 | 179.9° | 179.7° |
| C34 | C8C | C4C | C33 | 180.0° | 179.8° |
| C34 | C8C | C4C | C30 | 179.8° | 179.7° |
| C34 | C8C | C33 | C32 | 179.9° | 179.7° |
| C34 | C8C | C33 | H33 | 0.1° | 0.2° |
| H34 | C34 | C8C | C4C | 179.9° | 179.7° |
| H34 | C34 | C8C | C33 | 0.1° | 0.1° |
| C8C | C4C | C30 | C31 | 0.0° | 0.0° |
| C8C | C4C | C30 | H30 | 180.0° | 180.0° |
| C4C | C8C | C33 | C32 | 0.1° | 0.1° |
| C4C | C8C | C33 | H33 | 179.9° | 180.0° |
| C33 | C8C | C4C | C30 | 0.1° | 0.1° |
| C8C | C33 | C32 | C31 | 0.0° | 0.1° |
| C8C | C33 | C32 | H33 | 180.0° | 179.9° |
| C8C | C33 | C32 | H32 | 180.0° | 179.9° |
| C4C | C30 | C31 | H30 | 180.0° | 180.0° |
| C4C | C30 | C31 | C32 | 0.1° | 0.0° |
| C4C | C30 | C31 | H31 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C30 | C31 | C32 | H32 | 179.9° | 179.9° |
| H30 | C30 | C31 | C32 | 179.9° | 180.0° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.8° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| H31 | C31 | C32 | C33 | 179.9° | 180.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.1° |
| H32 | C32 | C33 | H33 | 0.0° | 0.2° |
