UPH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| N1 | C23 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N3 | C12 | sing | 1.48Å | 1.46Å | |
| N3 | O4 | doub | 1.22Å | 1.18Å | |
| N3 | O5 | sing | 1.22Å | 1.19Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | N2 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | doub | 1.38Å | 1.52Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.31Å | Aromatic |
| C15 | C20 | sing | 1.55Å | 1.57Å | |
| C15 | C16 | sing | 1.54Å | 1.50Å | |
| C15 | N4 | sing | 1.49Å | 1.30Å | |
| C17 | C18 | sing | 1.54Å | 1.52Å | |
| C20 | C19 | sing | 1.54Å | 1.45Å | |
| C21 | C22 | sing | 1.38Å | 1.33Å | Aromatic |
| C21 | C14 | doub | 1.39Å | 1.54Å | Aromatic |
| C22 | C11 | doub | 1.39Å | 1.55Å | Aromatic |
| C24 | C1 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | O7 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | sing | 1.39Å | 1.34Å | Aromatic |
| C11 | N2 | sing | 1.40Å | 1.46Å | |
| C14 | N4 | sing | 1.40Å | 1.46Å | |
| C18 | C19 | sing | 1.55Å | 1.58Å | |
| C18 | N4 | sing | 1.49Å | 1.30Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C16 | O6 | sing | 1.43Å | 1.70Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| O1 | H37 | sing | 0.97Å | 0.95Å | |
| O2 | H38 | sing | 0.97Å | 0.95Å | |
| O3 | H39 | sing | 0.97Å | 0.95Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å | |
| O6 | C17 | sing | 1.43Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N1 | C23 | 109.8° | 111.0° |
| C5 | N1 | C3 | 114.1° | 111.0° |
| N1 | C5 | C6 | 106.3° | 109.4° |
| N1 | C5 | H4 | 110.2° | 109.5° |
| N1 | C5 | H5 | 110.2° | 109.4° |
| C23 | N1 | C3 | 107.8° | 111.2° |
| N1 | C23 | C24 | 106.7° | 109.5° |
| N1 | C23 | H31 | 110.1° | 109.5° |
| N1 | C23 | H32 | 110.2° | 109.4° |
| N1 | C3 | C4 | 109.7° | 109.4° |
| N1 | C3 | C2 | 106.6° | 109.5° |
| N1 | C3 | H33 | 111.5° | 109.4° |
| C12 | N3 | O4 | 121.5° | 119.9° |
| C12 | N3 | O5 | 118.9° | 120.1° |
| N3 | C12 | C13 | 113.9° | 120.1° |
| N3 | C12 | C11 | 126.3° | 119.9° |
| O4 | N3 | O5 | 119.6° | 120.0° |
| C3 | C4 | O3 | 107.3° | 109.5° |
| C4 | C3 | C2 | 107.8° | 109.5° |
| C3 | C4 | H2 | 110.0° | 109.5° |
| C3 | C4 | H3 | 110.0° | 109.5° |
| C4 | C3 | H33 | 110.5° | 109.5° |
| O3 | C4 | H2 | 110.0° | 109.5° |
| O3 | C4 | H3 | 110.0° | 109.5° |
| C4 | O3 | H39 | 109.5° | 114.0° |
| C5 | C6 | C7 | 108.5° | 109.5° |
| C6 | C5 | H4 | 110.3° | 109.5° |
| C6 | C5 | H5 | 110.3° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C5 | C6 | H7 | 109.7° | 109.5° |
| C6 | C7 | C8 | 117.9° | 109.5° |
| C7 | C6 | H6 | 109.7° | 109.5° |
| C7 | C6 | H7 | 109.7° | 109.5° |
| C6 | C7 | H8 | 107.3° | 109.5° |
| C6 | C7 | H9 | 107.3° | 109.5° |
| C7 | C8 | C9 | 107.5° | 109.5° |
| C8 | C7 | H8 | 107.3° | 109.4° |
| C8 | C7 | H9 | 107.3° | 109.5° |
| C7 | C8 | H10 | 110.0° | 109.4° |
| C7 | C8 | H11 | 109.9° | 109.5° |
| C8 | C9 | C10 | 112.9° | 109.4° |
| C9 | C8 | H10 | 109.9° | 109.5° |
| C9 | C8 | H11 | 110.0° | 109.5° |
| C8 | C9 | H34 | 108.6° | 109.5° |
| C8 | C9 | H35 | 108.6° | 109.5° |
| C9 | C10 | N2 | 113.5° | 109.4° |
| C9 | C10 | H12 | 108.4° | 109.5° |
| C9 | C10 | H13 | 108.5° | 109.4° |
| C10 | C9 | H34 | 108.6° | 109.5° |
| C10 | C9 | H35 | 108.6° | 109.4° |
| C10 | N2 | C11 | 127.1° | 120.0° |
| N2 | C10 | H12 | 108.5° | 109.5° |
| N2 | C10 | H13 | 108.4° | 109.5° |
| C10 | N2 | H36 | 104.9° | 120.0° |
| C12 | C13 | C14 | 122.4° | 120.0° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C12 | C13 | H14 | 118.8° | 120.0° |
| C13 | C14 | C21 | 119.0° | 120.0° |
| C13 | C14 | N4 | 116.0° | 120.0° |
| C14 | C13 | H14 | 118.8° | 120.0° |
| C20 | C15 | C16 | 110.1° | 107.5° |
| C20 | C15 | N4 | 102.5° | 103.9° |
| C15 | C20 | C19 | 103.1° | 104.7° |
| C20 | C15 | H15 | 110.5° | 112.5° |
| C15 | C20 | H19 | 111.1° | 110.4° |
| C15 | C20 | H20 | 111.0° | 110.3° |
| C16 | C15 | N4 | 106.8° | 106.8° |
| C15 | C16 | O6 | 109.4° | 108.9° |
| C16 | C15 | H15 | 111.5° | 112.5° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.6° |
| C15 | N4 | C14 | 122.2° | 111.0° |
| C15 | N4 | C18 | 116.4° | 102.9° |
| N4 | C15 | H15 | 115.0° | 113.1° |
| C17 | C18 | C19 | 110.0° | 107.5° |
| C17 | C18 | N4 | 107.3° | 106.8° |
| C18 | C17 | H16 | 110.6° | 109.6° |
| C18 | C17 | H17 | 110.6° | 109.6° |
| C17 | C18 | H27 | 110.7° | 112.4° |
| C18 | C17 | O6 | 104.8° | 108.8° |
| C20 | C19 | C18 | 103.8° | 104.7° |
| C19 | C20 | H19 | 111.0° | 110.4° |
| C19 | C20 | H20 | 111.0° | 110.4° |
| C20 | C19 | H28 | 110.9° | 110.4° |
| C20 | C19 | H29 | 110.9° | 110.4° |
| C22 | C21 | C14 | 119.4° | 120.0° |
| C21 | C22 | C11 | 121.1° | 120.0° |
| C22 | C21 | H21 | 120.3° | 120.1° |
| C21 | C22 | H22 | 119.5° | 120.0° |
| C21 | C14 | N4 | 125.1° | 120.0° |
| C14 | C21 | H21 | 120.3° | 119.9° |
| C22 | C11 | C12 | 118.4° | 120.0° |
| C22 | C11 | N2 | 119.0° | 120.0° |
| C11 | C22 | H22 | 119.5° | 120.0° |
| C1 | C24 | C23 | 105.8° | 109.3° |
| C1 | C24 | O7 | 104.7° | 109.5° |
| C24 | C1 | C2 | 104.6° | 109.1° |
| C24 | C1 | O1 | 108.1° | 109.5° |
| C1 | C24 | H23 | 110.6° | 109.5° |
| C24 | C1 | H24 | 111.4° | 109.5° |
| C23 | C24 | O7 | 112.8° | 109.5° |
| C23 | C24 | H23 | 110.2° | 109.5° |
| C24 | C23 | H31 | 110.2° | 109.5° |
| C24 | C23 | H32 | 110.2° | 109.4° |
| O7 | C24 | H23 | 112.4° | 109.6° |
| C24 | O7 | H41 | 109.5° | 114.0° |
| C2 | C1 | O1 | 107.7° | 109.6° |
| C1 | C2 | C3 | 110.3° | 109.3° |
| C1 | C2 | O2 | 108.8° | 109.5° |
| C2 | C1 | H24 | 111.3° | 109.6° |
| C1 | C2 | H30 | 108.6° | 109.5° |
| O1 | C1 | H24 | 113.3° | 109.6° |
| C1 | O1 | H37 | 109.5° | 114.0° |
| C12 | C11 | N2 | 122.6° | 120.0° |
| C11 | N2 | H36 | 104.9° | 120.0° |
| C14 | N4 | C18 | 121.4° | 111.0° |
| C19 | C18 | N4 | 104.2° | 103.9° |
| C19 | C18 | H27 | 110.0° | 112.5° |
| C18 | C19 | H28 | 110.8° | 110.4° |
| C18 | C19 | H29 | 110.9° | 110.4° |
| N4 | C18 | H27 | 114.4° | 113.1° |
| C3 | C2 | O2 | 110.5° | 109.5° |
| C3 | C2 | H30 | 108.6° | 109.5° |
| C2 | C3 | H33 | 110.6° | 109.5° |
| O2 | C2 | H30 | 110.1° | 109.5° |
| C2 | O2 | H38 | 109.5° | 114.0° |
| O6 | C16 | H25 | 109.5° | 109.6° |
| O6 | C16 | H26 | 109.5° | 109.6° |
| C16 | O6 | C17 | 116.9° | 114.6° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.6° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | O6 | 110.6° | 109.6° |
| H17 | C17 | O6 | 110.6° | 109.7° |
| H19 | C20 | H20 | 109.5° | 110.5° |
| H25 | C16 | H26 | 109.5° | 109.6° |
| H28 | C19 | H29 | 109.5° | 110.4° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H34 | C9 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N1 | C23 | C3 | 124.9° | 124.1° |
| C5 | N1 | C3 | C4 | 56.5° | 54.2° |
| N1 | C5 | C6 | H4 | 119.5° | 120.0° |
| N1 | C5 | C6 | H5 | 119.5° | 119.9° |
| N1 | C5 | C6 | C7 | 151.9° | 180.0° |
| C5 | N1 | C23 | C24 | 165.9° | 174.2° |
| C5 | N1 | C3 | C2 | 172.9° | 174.2° |
| N1 | C5 | H4 | H5 | 121.4° | 120.0° |
| N1 | C5 | C6 | H6 | 32.1° | 60.0° |
| N1 | C5 | C6 | H7 | 88.2° | 60.0° |
| C5 | N1 | C23 | H31 | 74.6° | 65.8° |
| C5 | N1 | C23 | H32 | 46.3° | 54.2° |
| C5 | N1 | C3 | H33 | 66.2° | 65.8° |
| C23 | N1 | C3 | C4 | 178.7° | 178.2° |
| C23 | N1 | C5 | C6 | 76.5° | 69.9° |
| N1 | C23 | C24 | C1 | 69.3° | 59.2° |
| N1 | C23 | C24 | H31 | 119.6° | 120.1° |
| N1 | C23 | C24 | H32 | 119.6° | 119.9° |
| N1 | C23 | C24 | O7 | 176.8° | 179.1° |
| C23 | N1 | C3 | C2 | 64.8° | 61.7° |
| C23 | N1 | C5 | H4 | 164.0° | 50.1° |
| C23 | N1 | C5 | H5 | 43.0° | 170.2° |
| N1 | C23 | C24 | H23 | 50.3° | 60.7° |
| N1 | C23 | H31 | H32 | 121.3° | 120.0° |
| C23 | N1 | C3 | H33 | 56.0° | 58.3° |
| N1 | C3 | C4 | C2 | 115.7° | 120.1° |
| N1 | C3 | C4 | H33 | 123.3° | 119.9° |
| N1 | C3 | C4 | O3 | 53.1° | 63.2° |
| C3 | N1 | C5 | C6 | 44.7° | 165.9° |
| C3 | N1 | C23 | C24 | 69.3° | 61.8° |
| N1 | C3 | C2 | C1 | 62.8° | 59.2° |
| N1 | C3 | C2 | H33 | 121.4° | 120.0° |
| N1 | C3 | C2 | O2 | 176.8° | 179.1° |
| N1 | C3 | C4 | H2 | 66.6° | 56.8° |
| N1 | C3 | C4 | H3 | 172.7° | 176.7° |
| C3 | N1 | C5 | H4 | 74.8° | 74.1° |
| C3 | N1 | C5 | H5 | 164.2° | 46.0° |
| N1 | C3 | C2 | H30 | 56.0° | 60.8° |
| C3 | N1 | C23 | H31 | 50.3° | 58.3° |
| C3 | N1 | C23 | H32 | 171.2° | 178.3° |
| C12 | N3 | O4 | O5 | 178.1° | 179.9° |
| N3 | C12 | C13 | C11 | 179.9° | 180.0° |
| N3 | C12 | C13 | C14 | 179.9° | 180.0° |
| N3 | C12 | C11 | C22 | 179.8° | 180.0° |
| N3 | C12 | C11 | N2 | 0.6° | 0.0° |
| N3 | C12 | C13 | H14 | 0.1° | 0.3° |
| O4 | N3 | C12 | C13 | 145.6° | 38.1° |
| O4 | N3 | C12 | C11 | 34.6° | 142.0° |
| O5 | N3 | C12 | C13 | 32.5° | 141.9° |
| O5 | N3 | C12 | C11 | 147.3° | 38.1° |
| C3 | C4 | O3 | H2 | 119.7° | 120.0° |
| C3 | C4 | O3 | H3 | 119.7° | 120.0° |
| C4 | C3 | C2 | C1 | 179.5° | 179.2° |
| C4 | C3 | C2 | H33 | 120.9° | 120.0° |
| C4 | C3 | C2 | O2 | 59.1° | 60.9° |
| C3 | C4 | H2 | H3 | 121.0° | 120.0° |
| C4 | C3 | C2 | H30 | 61.7° | 59.2° |
| C3 | C4 | O3 | H39 | 180.0° | 180.0° |
| O3 | C4 | C3 | C2 | 62.7° | 56.8° |
| O3 | C4 | H2 | H3 | 121.0° | 120.0° |
| O3 | C4 | C3 | H33 | 176.4° | 176.8° |
| C5 | C6 | C7 | H6 | 119.9° | 120.0° |
| C5 | C6 | C7 | H7 | 119.9° | 120.0° |
| C5 | C6 | C7 | C8 | 154.0° | 180.0° |
| C6 | C5 | H4 | H5 | 121.5° | 120.1° |
| C5 | C6 | H6 | H7 | 120.4° | 120.0° |
| C5 | C6 | C7 | H8 | 32.8° | 60.0° |
| C5 | C6 | C7 | H9 | 84.8° | 60.0° |
| C6 | C7 | C8 | H8 | 121.2° | 120.0° |
| C6 | C7 | C8 | H9 | 121.2° | 120.0° |
| C6 | C7 | C8 | C9 | 122.2° | 180.0° |
| C7 | C6 | C5 | H4 | 88.6° | 60.1° |
| C7 | C6 | C5 | H5 | 32.4° | 60.0° |
| C7 | C6 | H6 | H7 | 120.4° | 120.0° |
| C6 | C7 | H8 | H9 | 116.2° | 120.0° |
| C6 | C7 | C8 | H10 | 2.5° | 60.0° |
| C6 | C7 | C8 | H11 | 118.1° | 60.0° |
| C7 | C8 | C9 | H10 | 119.7° | 120.0° |
| C7 | C8 | C9 | H11 | 119.7° | 120.0° |
| C7 | C8 | C9 | C10 | 149.3° | 180.0° |
| C8 | C7 | C6 | H6 | 86.2° | 60.0° |
| C8 | C7 | C6 | H7 | 34.1° | 60.0° |
| C8 | C7 | H8 | H9 | 116.2° | 120.0° |
| C7 | C8 | H10 | H11 | 120.9° | 120.0° |
| C7 | C8 | C9 | H34 | 28.8° | 60.0° |
| C7 | C8 | C9 | H35 | 90.2° | 60.0° |
| C8 | C9 | C10 | H34 | 120.5° | 120.0° |
| C8 | C9 | C10 | H35 | 120.5° | 120.0° |
| C8 | C9 | C10 | N2 | 115.7° | 180.0° |
| C9 | C8 | C7 | H8 | 116.6° | 60.0° |
| C9 | C8 | C7 | H9 | 1.0° | 60.0° |
| C9 | C8 | H10 | H11 | 120.9° | 120.0° |
| C8 | C9 | C10 | H12 | 123.6° | 60.0° |
| C8 | C9 | C10 | H13 | 4.9° | 60.0° |
| C8 | C9 | H34 | H35 | 118.4° | 120.1° |
| C9 | C10 | N2 | H12 | 120.6° | 120.0° |
| C9 | C10 | N2 | H13 | 120.6° | 120.0° |
| C9 | C10 | N2 | C11 | 120.1° | 180.0° |
| C10 | C9 | C8 | H10 | 91.0° | 60.0° |
| C10 | C9 | C8 | H11 | 29.6° | 60.0° |
| C9 | C10 | H12 | H13 | 118.2° | 120.0° |
| C10 | C9 | H34 | H35 | 118.4° | 120.0° |
| C9 | C10 | N2 | H36 | 2.2° | 0.0° |
| C10 | N2 | C11 | C22 | 161.7° | 4.5° |
| C10 | N2 | C11 | C12 | 19.1° | 175.4° |
| C10 | N2 | C11 | H36 | 122.3° | 180.0° |
| N2 | C10 | H12 | H13 | 118.1° | 120.1° |
| N2 | C10 | C9 | H34 | 4.8° | 60.0° |
| N2 | C10 | C9 | H35 | 123.7° | 60.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.7° |
| C12 | C13 | C14 | C21 | 0.0° | 0.0° |
| C13 | C12 | C11 | C22 | 0.4° | 0.1° |
| C13 | C12 | C11 | N2 | 179.6° | 180.0° |
| C12 | C13 | C14 | N4 | 179.8° | 180.0° |
| C13 | C14 | N4 | C15 | 115.4° | 180.0° |
| C13 | C14 | C21 | C22 | 0.4° | 0.0° |
| C13 | C14 | C21 | N4 | 179.7° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C13 | C14 | N4 | C18 | 63.8° | 66.3° |
| C13 | C14 | C21 | H21 | 179.6° | 180.0° |
| C20 | C15 | C16 | N4 | 110.6° | 111.0° |
| C20 | C15 | C16 | H15 | 123.1° | 124.3° |
| C20 | C15 | N4 | H15 | 120.0° | 122.3° |
| C15 | C20 | C19 | H19 | 119.0° | 118.9° |
| C15 | C20 | C19 | H20 | 119.0° | 118.7° |
| C20 | C15 | N4 | C14 | 145.7° | 75.6° |
| C15 | C20 | C19 | C18 | 15.3° | 0.0° |
| C20 | C15 | N4 | C18 | 33.5° | 43.1° |
| C20 | C15 | C16 | O6 | 92.2° | 48.9° |
| C15 | C20 | H19 | H20 | 123.0° | 122.3° |
| C20 | C15 | C16 | H25 | 147.9° | 168.8° |
| C20 | C15 | C16 | H26 | 27.9° | 70.9° |
| C15 | C20 | C19 | H28 | 103.8° | 118.9° |
| C15 | C20 | C19 | H29 | 134.4° | 118.8° |
| C16 | C15 | N4 | H15 | 124.2° | 124.2° |
| C16 | C15 | C20 | C19 | 85.1° | 86.8° |
| C16 | C15 | N4 | C14 | 98.5° | 170.9° |
| C16 | C15 | N4 | C18 | 82.3° | 70.4° |
| C15 | C16 | O6 | H25 | 120.0° | 119.8° |
| C15 | C16 | O6 | H26 | 120.0° | 119.8° |
| C16 | C15 | C20 | H19 | 33.9° | 32.0° |
| C16 | C15 | C20 | H20 | 156.0° | 154.4° |
| C15 | C16 | H25 | H26 | 120.0° | 120.2° |
| C15 | C16 | O6 | C17 | 17.5° | 54.5° |
| C15 | N4 | C18 | C17 | 93.0° | 70.4° |
| N4 | C15 | C20 | C19 | 28.3° | 26.1° |
| C15 | N4 | C14 | C21 | 64.9° | 0.0° |
| C15 | N4 | C14 | C18 | 179.1° | 113.7° |
| C15 | N4 | C18 | C19 | 23.6° | 43.1° |
| N4 | C15 | C16 | O6 | 18.4° | 62.1° |
| N4 | C15 | C20 | H19 | 147.2° | 145.0° |
| N4 | C15 | C20 | H20 | 90.7° | 92.6° |
| N4 | C15 | C16 | H25 | 101.6° | 57.8° |
| N4 | C15 | C16 | H26 | 138.4° | 178.1° |
| C15 | N4 | C18 | H27 | 143.8° | 165.4° |
| C17 | C18 | C19 | C20 | 112.9° | 86.8° |
| C17 | C18 | N4 | C14 | 87.8° | 170.8° |
| C17 | C18 | C19 | N4 | 114.7° | 113.0° |
| C17 | C18 | C19 | H27 | 122.2° | 124.3° |
| C17 | C18 | N4 | H27 | 123.2° | 124.1° |
| C18 | C17 | O6 | C16 | 10.2° | 54.5° |
| C18 | C17 | H16 | H17 | 122.2° | 120.3° |
| C18 | C17 | H16 | O6 | 115.7° | 119.3° |
| C18 | C17 | H17 | O6 | 115.7° | 119.5° |
| C17 | C18 | C19 | H28 | 6.2° | 32.0° |
| C17 | C18 | C19 | H29 | 128.0° | 154.4° |
| C20 | C19 | C18 | H28 | 119.1° | 118.8° |
| C20 | C19 | C18 | H29 | 119.1° | 118.8° |
| C20 | C19 | C18 | N4 | 1.8° | 26.1° |
| C19 | C20 | C15 | H15 | 151.3° | 148.9° |
| C19 | C20 | H19 | H20 | 122.9° | 122.4° |
| C20 | C19 | C18 | H27 | 124.9° | 148.8° |
| C20 | C19 | H28 | H29 | 122.6° | 122.3° |
| C22 | C21 | C14 | H21 | 180.0° | 180.0° |
| C21 | C22 | C11 | H22 | 180.0° | 180.0° |
| C21 | C22 | C11 | C12 | 0.8° | 0.0° |
| C21 | C22 | C11 | N2 | 180.0° | 180.0° |
| C22 | C21 | C14 | N4 | 179.9° | 180.0° |
| C14 | C21 | C22 | C11 | 0.8° | 0.0° |
| C21 | C14 | N4 | C18 | 116.0° | 113.7° |
| C21 | C14 | C13 | H14 | 180.0° | 179.7° |
| C14 | C21 | C22 | H22 | 179.2° | 180.0° |
| C22 | C11 | C12 | N2 | 179.2° | 180.0° |
| C11 | C22 | C21 | H21 | 179.3° | 180.0° |
| C22 | C11 | N2 | H36 | 39.4° | 175.5° |
| C1 | C24 | C23 | O7 | 113.9° | 119.9° |
| C1 | C24 | C23 | H23 | 119.6° | 119.9° |
| C1 | C24 | O7 | H23 | 120.1° | 120.1° |
| C24 | C1 | C2 | O1 | 114.9° | 119.9° |
| C24 | C1 | C2 | H24 | 120.4° | 119.9° |
| C24 | C1 | O1 | H24 | 124.0° | 120.1° |
| C24 | C1 | C2 | C3 | 63.0° | 57.7° |
| C24 | C1 | C2 | O2 | 175.6° | 177.6° |
| C24 | C1 | C2 | H30 | 55.8° | 62.3° |
| C1 | C24 | C23 | H31 | 50.3° | 60.8° |
| C1 | C24 | C23 | H32 | 171.1° | 179.2° |
| C24 | C1 | O1 | H37 | 180.0° | 60.0° |
| C1 | C24 | O7 | H41 | 180.0° | 179.9° |
| C23 | C24 | O7 | H23 | 125.4° | 120.1° |
| C23 | C24 | C1 | C2 | 64.3° | 57.7° |
| C23 | C24 | C1 | O1 | 178.8° | 177.6° |
| C23 | C24 | C1 | H24 | 56.1° | 62.2° |
| C24 | C23 | H31 | H32 | 121.3° | 120.0° |
| C23 | C24 | O7 | H41 | 65.4° | 60.3° |
| O7 | C24 | C1 | C2 | 176.3° | 177.6° |
| O7 | C24 | C1 | O1 | 61.8° | 62.5° |
| O7 | C24 | C1 | H24 | 63.3° | 57.7° |
| O7 | C24 | C23 | H31 | 63.7° | 59.1° |
| O7 | C24 | C23 | H32 | 57.2° | 60.9° |
| C2 | C1 | O1 | H24 | 123.5° | 120.2° |
| C1 | C2 | C3 | O2 | 120.3° | 119.9° |
| C1 | C2 | C3 | H30 | 118.8° | 120.0° |
| C1 | C2 | O2 | H30 | 118.9° | 120.1° |
| C2 | C1 | C24 | H23 | 55.1° | 62.3° |
| C1 | C2 | C3 | H33 | 58.6° | 60.8° |
| C2 | C1 | O1 | H37 | 67.5° | 179.7° |
| C1 | C2 | O2 | H38 | 180.0° | 59.9° |
| O1 | C1 | C2 | C3 | 177.9° | 177.6° |
| O1 | C1 | C2 | O2 | 60.8° | 62.5° |
| O1 | C1 | C24 | H23 | 59.5° | 57.6° |
| O1 | C1 | C2 | H30 | 59.0° | 57.6° |
| C11 | C12 | C13 | H14 | 180.0° | 179.7° |
| C12 | C11 | C22 | H22 | 179.2° | 179.9° |
| C12 | C11 | N2 | H36 | 141.4° | 4.5° |
| C11 | N2 | C10 | H12 | 119.3° | 60.0° |
| C11 | N2 | C10 | H13 | 0.5° | 60.0° |
| N2 | C11 | C22 | H22 | 0.0° | 0.0° |
| C14 | N4 | C18 | C19 | 155.6° | 75.6° |
| N4 | C14 | C13 | H14 | 0.2° | 0.3° |
| C14 | N4 | C15 | H15 | 25.7° | 46.7° |
| N4 | C14 | C21 | H21 | 0.1° | 0.0° |
| C14 | N4 | C18 | H27 | 35.4° | 46.7° |
| C19 | C18 | N4 | H27 | 120.2° | 122.3° |
| C19 | C18 | C17 | H16 | 38.8° | 70.9° |
| C19 | C18 | C17 | H17 | 160.3° | 168.9° |
| C18 | C19 | C20 | H19 | 134.3° | 118.8° |
| C18 | C19 | C20 | H20 | 103.7° | 118.8° |
| C18 | C19 | H28 | H29 | 122.6° | 122.3° |
| C19 | C18 | C17 | O6 | 80.5° | 48.9° |
| C18 | N4 | C15 | H15 | 153.5° | 165.4° |
| N4 | C18 | C17 | H16 | 151.5° | 178.1° |
| N4 | C18 | C17 | H17 | 87.0° | 57.9° |
| N4 | C18 | C19 | H28 | 120.9° | 145.0° |
| N4 | C18 | C19 | H29 | 117.3° | 92.7° |
| N4 | C18 | C17 | O6 | 32.2° | 62.1° |
| C3 | C2 | O2 | H30 | 119.9° | 120.1° |
| C2 | C3 | C4 | H2 | 177.7° | 176.8° |
| C2 | C3 | C4 | H3 | 57.0° | 63.2° |
| C3 | C2 | C1 | H24 | 57.4° | 62.2° |
| C3 | C2 | O2 | H38 | 58.8° | 179.8° |
| O2 | C2 | C1 | H24 | 63.9° | 57.7° |
| O2 | C2 | C3 | H33 | 61.8° | 59.1° |
| O6 | C16 | C15 | H15 | 144.8° | 173.3° |
| C16 | O6 | C17 | H16 | 109.1° | 174.3° |
| C16 | O6 | C17 | H17 | 129.5° | 65.4° |
| O6 | C16 | H25 | H26 | 120.0° | 120.3° |
| H2 | C4 | C3 | H33 | 56.7° | 63.2° |
| H2 | C4 | O3 | H39 | 60.3° | 60.0° |
| H3 | C4 | C3 | H33 | 64.0° | 56.8° |
| H3 | C4 | O3 | H39 | 60.3° | 60.0° |
| H4 | C5 | C6 | H6 | 151.6° | 180.0° |
| H4 | C5 | C6 | H7 | 31.3° | 59.9° |
| H5 | C5 | C6 | H6 | 87.4° | 59.9° |
| H5 | C5 | C6 | H7 | 152.3° | 180.0° |
| H6 | C6 | C7 | H8 | 152.6° | 180.0° |
| H6 | C6 | C7 | H9 | 35.1° | 60.0° |
| H7 | C6 | C7 | H8 | 87.1° | 60.0° |
| H7 | C6 | C7 | H9 | 155.3° | 180.0° |
| H8 | C7 | C8 | H10 | 123.7° | 180.0° |
| H8 | C7 | C8 | H11 | 3.0° | 60.0° |
| H9 | C7 | C8 | H10 | 118.7° | 60.0° |
| H9 | C7 | C8 | H11 | 120.7° | 180.0° |
| H10 | C8 | C9 | H34 | 148.4° | 180.0° |
| H10 | C8 | C9 | H35 | 29.5° | 59.9° |
| H11 | C8 | C9 | H34 | 90.9° | 60.0° |
| H11 | C8 | C9 | H35 | 150.1° | 179.9° |
| H12 | C10 | C9 | H34 | 115.8° | 180.0° |
| H12 | C10 | C9 | H35 | 3.1° | 60.0° |
| H12 | C10 | N2 | H36 | 118.4° | 120.0° |
| H13 | C10 | C9 | H34 | 125.4° | 60.0° |
| H13 | C10 | C9 | H35 | 115.7° | 180.0° |
| H13 | C10 | N2 | H36 | 122.8° | 120.0° |
| H15 | C15 | C20 | H19 | 89.8° | 92.3° |
| H15 | C15 | C20 | H20 | 32.3° | 30.1° |
| H15 | C15 | C16 | H25 | 24.8° | 66.8° |
| H15 | C15 | C16 | H26 | 95.2° | 53.5° |
| H16 | C17 | H17 | O6 | 122.1° | 120.3° |
| H16 | C17 | C18 | H27 | 83.0° | 53.5° |
| H17 | C17 | C18 | H27 | 38.5° | 66.7° |
| H19 | C20 | C19 | H28 | 15.2° | 0.0° |
| H19 | C20 | C19 | H29 | 106.6° | 122.4° |
| H20 | C20 | C19 | H28 | 137.2° | 122.4° |
| H20 | C20 | C19 | H29 | 15.4° | 0.0° |
| H21 | C21 | C22 | H22 | 0.8° | 0.0° |
| H23 | C24 | C1 | H24 | 175.4° | 177.8° |
| H23 | C24 | C23 | H31 | 169.8° | 179.2° |
| H23 | C24 | C23 | H32 | 69.3° | 59.2° |
| H23 | C24 | O7 | H41 | 59.9° | 59.8° |
| H24 | C1 | C2 | H30 | 176.2° | 177.8° |
| H24 | C1 | O1 | H37 | 56.1° | 60.1° |
| H25 | C16 | O6 | C17 | 137.5° | 65.3° |
| H26 | C16 | O6 | C17 | 102.5° | 174.3° |
| H27 | C18 | C19 | H28 | 116.0° | 92.3° |
| H27 | C18 | C19 | H29 | 5.8° | 30.0° |
| H27 | C18 | C17 | O6 | 157.7° | 173.3° |
| H30 | C2 | C3 | H33 | 177.4° | 179.2° |
| H30 | C2 | O2 | H38 | 61.1° | 60.1° |
