HPM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | N6 | sing | 1.47Å | 1.51Å | |
| C1 | H1C1 | sing | 1.09Å | 1.11Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H3C1 | sing | 1.09Å | 1.12Å | |
| C3 | H3C2 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H4C1 | sing | 1.09Å | 1.12Å | |
| C4 | H4C2 | sing | 1.09Å | 1.12Å | |
| C5 | N6 | sing | 1.47Å | 1.52Å | |
| C5 | H5C1 | sing | 1.09Å | 1.12Å | |
| C5 | H5C2 | sing | 1.09Å | 1.12Å | |
| N6 | C7 | sing | 1.47Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H7C1 | sing | 1.09Å | 1.11Å | |
| C7 | H7C2 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | O39 | sing | 1.43Å | 1.42Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | O10 | sing | 1.43Å | 1.46Å | |
| C9 | H9C1 | sing | 1.09Å | 1.12Å | |
| C9 | H9C2 | sing | 1.09Å | 1.11Å | |
| O10 | C11 | sing | 1.36Å | 1.40Å | |
| C11 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.42Å | Aromatic |
| C12 | O37 | sing | 1.36Å | 1.39Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.42Å | 1.48Å | Aromatic |
| C14 | C20 | sing | 1.42Å | 1.44Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | N17 | sing | 1.34Å | 1.36Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| N17 | C18 | doub | 1.31Å | 1.32Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| N19 | C20 | doub | 1.33Å | 1.36Å | Aromatic |
| C20 | N21 | sing | 1.38Å | 1.47Å | |
| N21 | C22 | sing | 1.40Å | 1.43Å | |
| N21 | H21 | sing | 0.97Å | 1.02Å | |
| C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
| C23 | N24 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| N24 | C25 | doub | 1.32Å | 1.35Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.32Å | Aromatic |
| C25 | N28 | sing | 1.39Å | 1.43Å | |
| N26 | C27 | doub | 1.32Å | 1.32Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| N28 | C29 | sing | 1.35Å | 1.34Å | |
| N28 | H28 | sing | 0.97Å | 1.02Å | |
| C29 | C30 | sing | 1.48Å | 1.52Å | |
| C29 | O36 | doub | 1.22Å | 1.25Å | |
| C30 | C31 | doub | 1.40Å | 1.44Å | Aromatic |
| C30 | C35 | sing | 1.40Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| O37 | C38 | sing | 1.43Å | 1.45Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.11Å | |
| O39 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N6 | 112.3° | 109.8° |
| C2 | C1 | H1C1 | 111.2° | 109.5° |
| C2 | C1 | H1C2 | 111.2° | 109.4° |
| C1 | C2 | C3 | 112.2° | 109.2° |
| C1 | C2 | H2C1 | 111.2° | 109.5° |
| C1 | C2 | H2C2 | 111.2° | 109.5° |
| N6 | C1 | H1C1 | 111.2° | 109.4° |
| N6 | C1 | H1C2 | 111.2° | 109.4° |
| C1 | N6 | C5 | 111.4° | 107.3° |
| C1 | N6 | C7 | 111.4° | 106.7° |
| H1C1 | C1 | H1C2 | 99.2° | 109.3° |
| C3 | C2 | H2C1 | 111.2° | 109.6° |
| C3 | C2 | H2C2 | 111.2° | 109.6° |
| C2 | C3 | C4 | 113.2° | 108.9° |
| C2 | C3 | H3C1 | 110.8° | 109.6° |
| C2 | C3 | H3C2 | 110.8° | 109.6° |
| H2C1 | C2 | H2C2 | 99.2° | 109.5° |
| C4 | C3 | H3C1 | 110.9° | 109.6° |
| C4 | C3 | H3C2 | 110.8° | 109.5° |
| C3 | C4 | C5 | 112.7° | 109.2° |
| C3 | C4 | H4C1 | 111.0° | 109.5° |
| C3 | C4 | H4C2 | 111.0° | 109.6° |
| H3C1 | C3 | H3C2 | 99.5° | 109.6° |
| C5 | C4 | H4C1 | 111.0° | 109.5° |
| C5 | C4 | H4C2 | 111.0° | 109.6° |
| C4 | C5 | N6 | 112.5° | 109.8° |
| C4 | C5 | H5C1 | 111.1° | 109.5° |
| C4 | C5 | H5C2 | 111.1° | 109.4° |
| H4C1 | C4 | H4C2 | 99.3° | 109.6° |
| N6 | C5 | H5C1 | 111.1° | 109.4° |
| N6 | C5 | H5C2 | 111.1° | 109.4° |
| C5 | N6 | C7 | 112.8° | 106.7° |
| H5C1 | C5 | H5C2 | 99.3° | 109.4° |
| N6 | C7 | C8 | 115.8° | 109.5° |
| N6 | C7 | H7C1 | 109.9° | 109.5° |
| N6 | C7 | H7C2 | 109.9° | 109.5° |
| C8 | C7 | H7C1 | 109.9° | 109.4° |
| C8 | C7 | H7C2 | 109.9° | 109.5° |
| C7 | C8 | C9 | 114.7° | 109.5° |
| C7 | C8 | O39 | 109.2° | 109.5° |
| C7 | C8 | H8 | 108.1° | 109.4° |
| H7C1 | C7 | H7C2 | 100.3° | 109.5° |
| C9 | C8 | O39 | 108.5° | 109.4° |
| C9 | C8 | H8 | 108.1° | 109.5° |
| C8 | C9 | O10 | 109.4° | 109.5° |
| C8 | C9 | H9C1 | 112.2° | 109.5° |
| C8 | C9 | H9C2 | 112.2° | 109.5° |
| O39 | C8 | H8 | 108.1° | 109.5° |
| C8 | O39 | H39 | 109.3° | 106.8° |
| O10 | C9 | H9C1 | 112.2° | 109.5° |
| O10 | C9 | H9C2 | 112.2° | 109.4° |
| C9 | O10 | C11 | 123.8° | 106.8° |
| H9C1 | C9 | H9C2 | 98.2° | 109.4° |
| O10 | C11 | C12 | 121.1° | 119.6° |
| O10 | C11 | C16 | 119.0° | 119.6° |
| C12 | C11 | C16 | 119.8° | 120.7° |
| C11 | C12 | C13 | 120.3° | 120.7° |
| C11 | C12 | O37 | 121.2° | 119.6° |
| C11 | C16 | C15 | 120.7° | 119.5° |
| C11 | C16 | H16 | 119.6° | 120.3° |
| C13 | C12 | O37 | 118.5° | 119.7° |
| C12 | C13 | C14 | 121.0° | 119.7° |
| C12 | C13 | H13 | 119.5° | 120.1° |
| C12 | O37 | C38 | 119.7° | 106.8° |
| C14 | C13 | H13 | 119.5° | 120.2° |
| C13 | C14 | C15 | 119.1° | 119.9° |
| C13 | C14 | C20 | 126.1° | 122.0° |
| C15 | C14 | C20 | 114.8° | 118.1° |
| C14 | C15 | C16 | 119.1° | 119.4° |
| C14 | C15 | N17 | 121.0° | 118.8° |
| C14 | C20 | N19 | 120.3° | 118.3° |
| C14 | C20 | N21 | 121.9° | 120.9° |
| C16 | C15 | N17 | 119.8° | 121.8° |
| C15 | C16 | H16 | 119.7° | 120.2° |
| C15 | N17 | C18 | 118.2° | 120.4° |
| N17 | C18 | N19 | 125.9° | 123.0° |
| N17 | C18 | H18 | 117.1° | 118.5° |
| N19 | C18 | H18 | 117.1° | 118.6° |
| C18 | N19 | C20 | 119.8° | 121.5° |
| N19 | C20 | N21 | 117.8° | 120.8° |
| C20 | N21 | C22 | 129.9° | 120.0° |
| C20 | N21 | H21 | 115.0° | 120.0° |
| C22 | N21 | H21 | 115.1° | 119.9° |
| N21 | C22 | C23 | 121.2° | 120.9° |
| N21 | C22 | C27 | 123.1° | 120.8° |
| C23 | C22 | C27 | 115.8° | 118.4° |
| C22 | C23 | N24 | 120.6° | 119.2° |
| C22 | C23 | H23 | 119.7° | 120.4° |
| C22 | C27 | N26 | 121.8° | 119.1° |
| C22 | C27 | H27 | 119.1° | 120.5° |
| N24 | C23 | H23 | 119.7° | 120.4° |
| C23 | N24 | C25 | 118.2° | 120.8° |
| N24 | C25 | N26 | 125.8° | 121.8° |
| N24 | C25 | N28 | 116.0° | 119.1° |
| N26 | C25 | N28 | 118.1° | 119.1° |
| C25 | N26 | C27 | 117.8° | 120.8° |
| C25 | N28 | C29 | 138.6° | 120.0° |
| C25 | N28 | H28 | 110.7° | 120.0° |
| N26 | C27 | H27 | 119.1° | 120.4° |
| C29 | N28 | H28 | 110.7° | 120.0° |
| N28 | C29 | C30 | 115.2° | 120.0° |
| N28 | C29 | O36 | 121.4° | 120.0° |
| C30 | C29 | O36 | 123.4° | 120.0° |
| C29 | C30 | C31 | 122.9° | 120.1° |
| C29 | C30 | C35 | 119.3° | 120.1° |
| C31 | C30 | C35 | 117.8° | 119.7° |
| C30 | C31 | C32 | 121.0° | 119.8° |
| C30 | C31 | H31 | 119.5° | 120.0° |
| C30 | C35 | C34 | 120.9° | 119.8° |
| C30 | C35 | H35 | 119.5° | 120.1° |
| C32 | C31 | H31 | 119.5° | 120.1° |
| C31 | C32 | C33 | 119.7° | 120.2° |
| C31 | C32 | H32 | 120.2° | 119.9° |
| C33 | C32 | H32 | 120.2° | 119.9° |
| C32 | C33 | C34 | 120.4° | 120.3° |
| C32 | C33 | H33 | 119.8° | 119.8° |
| C34 | C33 | H33 | 119.8° | 119.9° |
| C33 | C34 | C35 | 120.1° | 120.2° |
| C33 | C34 | H34 | 119.9° | 119.9° |
| C35 | C34 | H34 | 120.0° | 119.9° |
| C34 | C35 | H35 | 119.5° | 120.1° |
| O37 | C38 | H381 | 119.7° | 109.5° |
| O37 | C38 | H382 | 108.5° | 109.5° |
| O37 | C38 | H383 | 108.6° | 109.4° |
| H381 | C38 | H382 | 108.6° | 109.5° |
| H381 | C38 | H383 | 108.5° | 109.5° |
| H382 | C38 | H383 | 101.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N6 | H1C1 | 125.3° | 120.1° |
| C2 | C1 | N6 | H1C2 | 125.3° | 120.1° |
| C2 | C1 | H1C1 | H1C2 | 117.1° | 119.8° |
| C1 | C2 | C3 | H2C1 | 125.3° | 119.9° |
| C1 | C2 | C3 | H2C2 | 125.2° | 119.9° |
| C1 | C2 | H2C1 | H2C2 | 117.1° | 120.0° |
| C1 | C2 | C3 | C4 | 46.2° | 55.6° |
| C1 | C2 | C3 | H3C1 | 79.1° | 64.3° |
| C1 | C2 | C3 | H3C2 | 171.4° | 175.4° |
| C2 | C1 | N6 | C5 | 58.4° | 65.6° |
| C2 | C1 | N6 | C7 | 174.7° | 179.6° |
| N6 | C1 | H1C1 | H1C2 | 117.1° | 119.8° |
| N6 | C1 | C2 | C3 | 52.9° | 61.4° |
| N6 | C1 | C2 | H2C1 | 178.1° | 178.6° |
| N6 | C1 | C2 | H2C2 | 72.4° | 58.6° |
| C1 | N6 | C5 | C4 | 57.1° | 65.7° |
| C1 | N6 | C5 | C7 | 126.1° | 114.1° |
| C1 | N6 | C5 | H5C1 | 177.6° | 54.5° |
| C1 | N6 | C5 | H5C2 | 68.1° | 174.3° |
| C1 | N6 | C7 | C8 | 178.9° | 179.9° |
| C1 | N6 | C7 | H7C1 | 53.6° | 60.1° |
| C1 | N6 | C7 | H7C2 | 55.8° | 59.9° |
| H1C1 | C1 | C2 | C3 | 178.2° | 178.5° |
| H1C1 | C1 | C2 | H2C1 | 56.6° | 58.5° |
| H1C1 | C1 | C2 | H2C2 | 52.9° | 61.6° |
| H1C1 | C1 | N6 | C5 | 176.3° | 174.2° |
| H1C1 | C1 | N6 | C7 | 49.4° | 60.2° |
| H1C2 | C1 | C2 | C3 | 72.4° | 58.7° |
| H1C2 | C1 | C2 | H2C1 | 52.9° | 61.3° |
| H1C2 | C1 | C2 | H2C2 | 162.4° | 178.7° |
| H1C2 | C1 | N6 | C5 | 66.9° | 54.5° |
| H1C2 | C1 | N6 | C7 | 60.0° | 59.6° |
| C3 | C2 | H2C1 | H2C2 | 117.1° | 120.2° |
| C2 | C3 | C4 | H3C1 | 125.3° | 119.9° |
| C2 | C3 | C4 | H3C2 | 125.3° | 119.8° |
| C2 | C3 | H3C1 | H3C2 | 116.7° | 120.3° |
| C2 | C3 | C4 | C5 | 45.1° | 55.7° |
| C2 | C3 | C4 | H4C1 | 170.4° | 175.5° |
| C2 | C3 | C4 | H4C2 | 80.1° | 64.3° |
| H2C1 | C2 | C3 | C4 | 171.4° | 175.5° |
| H2C1 | C2 | C3 | H3C1 | 46.1° | 55.6° |
| H2C1 | C2 | C3 | H3C2 | 63.3° | 64.7° |
| H2C2 | C2 | C3 | C4 | 79.1° | 64.3° |
| H2C2 | C2 | C3 | H3C1 | 155.6° | 175.8° |
| H2C2 | C2 | C3 | H3C2 | 46.2° | 55.5° |
| C4 | C3 | H3C1 | H3C2 | 116.7° | 120.2° |
| C3 | C4 | C5 | H4C1 | 125.3° | 119.8° |
| C3 | C4 | C5 | H4C2 | 125.2° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 116.9° | 120.2° |
| C3 | C4 | C5 | N6 | 50.4° | 61.4° |
| C3 | C4 | C5 | H5C1 | 175.7° | 58.7° |
| C3 | C4 | C5 | H5C2 | 74.8° | 178.5° |
| H3C1 | C3 | C4 | C5 | 80.1° | 64.2° |
| H3C1 | C3 | C4 | H4C1 | 45.2° | 55.6° |
| H3C1 | C3 | C4 | H4C2 | 154.6° | 175.8° |
| H3C2 | C3 | C4 | C5 | 170.4° | 175.5° |
| H3C2 | C3 | C4 | H4C1 | 64.3° | 64.7° |
| H3C2 | C3 | C4 | H4C2 | 45.1° | 55.5° |
| C5 | C4 | H4C1 | H4C2 | 116.9° | 120.2° |
| C4 | C5 | N6 | H5C1 | 125.3° | 120.1° |
| C4 | C5 | N6 | H5C2 | 125.2° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 117.0° | 119.9° |
| C4 | C5 | N6 | C7 | 176.7° | 179.7° |
| H4C1 | C4 | C5 | N6 | 175.7° | 178.7° |
| H4C1 | C4 | C5 | H5C1 | 59.0° | 61.2° |
| H4C1 | C4 | C5 | H5C2 | 50.5° | 58.7° |
| H4C2 | C4 | C5 | N6 | 74.8° | 58.5° |
| H4C2 | C4 | C5 | H5C1 | 50.5° | 178.6° |
| H4C2 | C4 | C5 | H5C2 | 159.9° | 61.5° |
| N6 | C5 | H5C1 | H5C2 | 117.0° | 119.8° |
| C5 | N6 | C7 | C8 | 54.9° | 65.5° |
| C5 | N6 | C7 | H7C1 | 179.8° | 174.6° |
| C5 | N6 | C7 | H7C2 | 70.3° | 54.5° |
| H5C1 | C5 | N6 | C7 | 51.5° | 59.6° |
| H5C2 | C5 | N6 | C7 | 58.0° | 60.2° |
| N6 | C7 | C8 | H7C1 | 125.3° | 120.0° |
| N6 | C7 | C8 | H7C2 | 125.3° | 120.0° |
| N6 | C7 | H7C1 | H7C2 | 115.7° | 120.0° |
| N6 | C7 | C8 | C9 | 151.6° | 179.2° |
| N6 | C7 | C8 | O39 | 86.4° | 59.3° |
| N6 | C7 | C8 | H8 | 31.0° | 60.8° |
| C8 | C7 | H7C1 | H7C2 | 115.7° | 120.0° |
| C7 | C8 | C9 | O39 | 122.4° | 120.0° |
| C7 | C8 | C9 | H8 | 120.6° | 120.0° |
| C7 | C8 | O39 | H8 | 117.4° | 120.0° |
| C7 | C8 | C9 | O10 | 170.4° | 175.0° |
| C7 | C8 | C9 | H9C1 | 45.2° | 65.0° |
| C7 | C8 | C9 | H9C2 | 64.3° | 55.0° |
| C7 | C8 | O39 | H39 | 180.0° | 60.0° |
| H7C1 | C7 | C8 | C9 | 83.1° | 59.3° |
| H7C1 | C7 | C8 | O39 | 38.9° | 60.7° |
| H7C1 | C7 | C8 | H8 | 156.3° | 179.2° |
| H7C2 | C7 | C8 | C9 | 26.3° | 60.7° |
| H7C2 | C7 | C8 | O39 | 148.3° | 179.3° |
| H7C2 | C7 | C8 | H8 | 94.3° | 59.3° |
| C9 | C8 | O39 | H8 | 117.0° | 120.0° |
| C8 | C9 | O10 | H9C1 | 125.3° | 120.1° |
| C8 | C9 | O10 | H9C2 | 125.3° | 120.0° |
| C8 | C9 | H9C1 | H9C2 | 118.1° | 120.0° |
| C8 | C9 | O10 | C11 | 163.8° | 180.0° |
| C9 | C8 | O39 | H39 | 54.3° | 60.0° |
| O39 | C8 | C9 | O10 | 48.0° | 65.0° |
| O39 | C8 | C9 | H9C1 | 77.3° | 55.0° |
| O39 | C8 | C9 | H9C2 | 173.3° | 175.0° |
| H8 | C8 | C9 | O10 | 68.9° | 55.0° |
| H8 | C8 | C9 | H9C1 | 165.8° | 175.1° |
| H8 | C8 | C9 | H9C2 | 56.3° | 65.0° |
| H8 | C8 | O39 | H39 | 62.6° | 180.0° |
| O10 | C9 | H9C1 | H9C2 | 118.2° | 119.9° |
| C9 | O10 | C11 | C12 | 179.8° | 179.5° |
| C9 | O10 | C11 | C16 | 0.1° | 0.0° |
| H9C1 | C9 | O10 | C11 | 38.5° | 59.9° |
| H9C2 | C9 | O10 | C11 | 71.0° | 60.0° |
| O10 | C11 | C12 | C16 | 180.0° | 179.4° |
| O10 | C11 | C12 | C13 | 179.9° | 180.0° |
| O10 | C11 | C12 | O37 | 0.3° | 0.3° |
| O10 | C11 | C16 | C15 | 180.0° | 180.0° |
| O10 | C11 | C16 | H16 | 0.0° | 0.3° |
| C11 | C12 | C13 | O37 | 179.8° | 179.7° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C11 | C12 | C13 | H13 | 180.0° | 179.7° |
| C12 | C11 | C16 | C15 | 0.1° | 0.6° |
| C12 | C11 | C16 | H16 | 180.0° | 179.7° |
| C11 | C12 | O37 | C38 | 131.4° | 179.7° |
| C16 | C11 | C12 | C13 | 0.1° | 0.6° |
| C16 | C11 | C12 | O37 | 179.7° | 179.7° |
| C11 | C16 | C15 | C14 | 0.1° | 0.3° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | N17 | 180.0° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | C20 | 179.9° | 180.0° |
| C13 | C12 | O37 | C38 | 48.8° | 0.0° |
| O37 | C12 | C13 | C14 | 179.8° | 180.0° |
| O37 | C12 | C13 | H13 | 0.2° | 0.0° |
| C12 | O37 | C38 | H381 | 180.0° | 60.0° |
| C12 | O37 | C38 | H382 | 54.7° | 180.0° |
| C12 | O37 | C38 | H383 | 54.8° | 60.0° |
| C13 | C14 | C15 | C20 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | N17 | 179.9° | 180.0° |
| C13 | C14 | C20 | N19 | 179.9° | 180.0° |
| C13 | C14 | C20 | N21 | 0.4° | 0.0° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | C20 | 0.1° | 0.0° |
| C14 | C15 | C16 | N17 | 179.9° | 180.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C14 | C15 | N17 | C18 | 0.0° | 0.0° |
| C15 | C14 | C20 | N19 | 0.1° | 0.0° |
| C15 | C14 | C20 | N21 | 179.7° | 180.0° |
| C20 | C14 | C15 | C16 | 179.9° | 180.0° |
| C20 | C14 | C15 | N17 | 0.0° | 0.0° |
| C14 | C20 | N19 | C18 | 0.1° | 0.0° |
| C14 | C20 | N19 | N21 | 179.8° | 180.0° |
| C14 | C20 | N21 | C22 | 171.7° | 174.9° |
| C14 | C20 | N21 | H21 | 8.3° | 5.2° |
| C16 | C15 | N17 | C18 | 179.9° | 180.0° |
| N17 | C15 | C16 | H16 | 0.0° | 0.0° |
| C15 | N17 | C18 | N19 | 0.0° | 0.0° |
| C15 | N17 | C18 | H18 | 180.0° | 180.0° |
| N17 | C18 | N19 | H18 | 180.0° | 180.0° |
| N17 | C18 | N19 | C20 | 0.0° | 0.0° |
| C18 | N19 | C20 | N21 | 179.7° | 180.0° |
| H18 | C18 | N19 | C20 | 179.9° | 179.9° |
| N19 | C20 | N21 | C22 | 8.1° | 5.1° |
| N19 | C20 | N21 | H21 | 171.9° | 174.9° |
| C20 | N21 | C22 | H21 | 180.0° | 180.0° |
| C20 | N21 | C22 | C23 | 143.5° | 149.9° |
| C20 | N21 | C22 | C27 | 35.3° | 30.4° |
| N21 | C22 | C23 | C27 | 178.9° | 179.7° |
| N21 | C22 | C23 | N24 | 178.3° | 180.0° |
| N21 | C22 | C23 | H23 | 1.7° | 0.0° |
| N21 | C22 | C27 | N26 | 178.3° | 179.7° |
| N21 | C22 | C27 | H27 | 1.8° | 0.3° |
| H21 | N21 | C22 | C23 | 36.5° | 30.1° |
| H21 | N21 | C22 | C27 | 144.7° | 149.6° |
| C22 | C23 | N24 | H23 | 180.0° | 179.9° |
| C22 | C23 | N24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C27 | N26 | 0.6° | 0.6° |
| C23 | C22 | C27 | H27 | 179.4° | 180.0° |
| C27 | C22 | C23 | N24 | 0.5° | 0.3° |
| C27 | C22 | C23 | H23 | 179.5° | 179.8° |
| C22 | C27 | N26 | C25 | 0.1° | 0.6° |
| C22 | C27 | N26 | H27 | 180.0° | 179.4° |
| C23 | N24 | C25 | N26 | 0.5° | 0.0° |
| C23 | N24 | C25 | N28 | 177.7° | 180.0° |
| H23 | C23 | N24 | C25 | 180.0° | 180.0° |
| N24 | C25 | N26 | N28 | 178.3° | 180.0° |
| N24 | C25 | N26 | C27 | 0.5° | 0.3° |
| N24 | C25 | N28 | C29 | 17.8° | 180.0° |
| N24 | C25 | N28 | H28 | 162.1° | 0.0° |
| C25 | N26 | C27 | H27 | 179.9° | 180.0° |
| N26 | C25 | N28 | C29 | 163.7° | 0.0° |
| N26 | C25 | N28 | H28 | 16.3° | 180.0° |
| N28 | C25 | N26 | C27 | 177.7° | 179.7° |
| C25 | N28 | C29 | H28 | 180.0° | 180.0° |
| C25 | N28 | C29 | C30 | 178.4° | 180.0° |
| C25 | N28 | C29 | O36 | 0.9° | 0.0° |
| N28 | C29 | C30 | O36 | 179.4° | 180.0° |
| N28 | C29 | C30 | C31 | 0.5° | 180.0° |
| N28 | C29 | C30 | C35 | 179.9° | 0.3° |
| H28 | N28 | C29 | C30 | 1.5° | 0.0° |
| H28 | N28 | C29 | O36 | 179.1° | 180.0° |
| C29 | C30 | C31 | C35 | 179.5° | 179.7° |
| C29 | C30 | C31 | C32 | 179.5° | 179.9° |
| C29 | C30 | C31 | H31 | 0.4° | 0.1° |
| C29 | C30 | C35 | C34 | 179.7° | 179.8° |
| C29 | C30 | C35 | H35 | 0.3° | 0.3° |
| O36 | C29 | C30 | C31 | 178.8° | 0.0° |
| O36 | C29 | C30 | C35 | 0.7° | 179.8° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C30 | C35 | C34 | 0.2° | 0.5° |
| C31 | C30 | C35 | H35 | 179.8° | 180.0° |
| C35 | C30 | C31 | C32 | 0.0° | 0.2° |
| C35 | C30 | C31 | H31 | 180.0° | 179.8° |
| C30 | C35 | C34 | C33 | 0.2° | 0.5° |
| C30 | C35 | C34 | H35 | 180.0° | 179.5° |
| C30 | C35 | C34 | H34 | 179.8° | 179.8° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C31 | C32 | C33 | H33 | 179.9° | 179.9° |
| H31 | C31 | C32 | C33 | 179.9° | 179.9° |
| H31 | C31 | C32 | H32 | 0.1° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.3° |
| C32 | C33 | C34 | H34 | 180.0° | 179.9° |
| H32 | C32 | C33 | C34 | 179.9° | 179.9° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.7° |
| C33 | C34 | C35 | H35 | 179.8° | 180.0° |
| H33 | C33 | C34 | C35 | 179.9° | 179.8° |
| H33 | C33 | C34 | H34 | 0.0° | 0.1° |
| H34 | C34 | C35 | H35 | 0.2° | 0.3° |
| O37 | C38 | H381 | H382 | 125.3° | 120.0° |
| O37 | C38 | H381 | H383 | 125.2° | 119.9° |
| O37 | C38 | H382 | H383 | 114.2° | 120.0° |
| H381 | C38 | H382 | H383 | 114.2° | 120.0° |
