PRD_002175
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.54Å | |
| O3 | C20 | doub | 1.22Å | 1.28Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C20 | O4 | sing | 1.35Å | 1.27Å | |
| C20 | C21 | sing | 1.47Å | 1.38Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C13 | C18 | sing | 1.51Å | 1.58Å | |
| C13 | N2 | sing | 1.46Å | 1.47Å | |
| C21 | C23 | doub | 1.33Å | 1.52Å | |
| C27 | N3 | sing | 1.47Å | 1.49Å | |
| C18 | N3 | sing | 1.35Å | 1.36Å | |
| C18 | O2 | doub | 1.21Å | 1.24Å | |
| C8 | N1 | sing | 1.47Å | 1.48Å | |
| N2 | C6 | sing | 1.35Å | 1.34Å | |
| N3 | C19 | sing | 1.46Å | 1.47Å | |
| C23 | C19 | sing | 1.51Å | 1.54Å | |
| O1 | C6 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C19 | C24 | sing | 1.53Å | 1.57Å | |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C4 | C9 | sing | 1.53Å | 1.53Å | |
| C4 | C10 | sing | 1.53Å | 1.56Å | |
| C4 | C2 | sing | 1.51Å | 1.39Å | |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C14 | C16 | 105.2° | 109.5° |
| C17 | C14 | C15 | 107.8° | 109.5° |
| C17 | C14 | C13 | 112.7° | 109.5° |
| C14 | C17 | H25 | 109.5° | 109.5° |
| C14 | C17 | H26 | 109.5° | 109.5° |
| C14 | C17 | H27 | 109.5° | 109.5° |
| C16 | C14 | C15 | 109.9° | 109.5° |
| C16 | C14 | C13 | 109.5° | 109.5° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.5° |
| O3 | C20 | O4 | 128.4° | 120.0° |
| O3 | C20 | C21 | 113.0° | 120.0° |
| C15 | C14 | C13 | 111.6° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.4° | 109.5° |
| C14 | C13 | C18 | 115.0° | 109.5° |
| C14 | C13 | N2 | 109.4° | 109.4° |
| C14 | C13 | H18 | 108.2° | 109.4° |
| O4 | C20 | C21 | 118.7° | 120.0° |
| C20 | O4 | H29 | 109.5° | 117.0° |
| C20 | C21 | C22 | 112.0° | 120.0° |
| C20 | C21 | C23 | 122.4° | 120.0° |
| C22 | C21 | C23 | 125.5° | 120.0° |
| C21 | C22 | H30 | 109.5° | 109.5° |
| C21 | C22 | H31 | 109.5° | 109.5° |
| C21 | C22 | H32 | 109.4° | 109.4° |
| C18 | C13 | N2 | 107.2° | 109.5° |
| C13 | C18 | N3 | 118.8° | 120.1° |
| C13 | C18 | O2 | 121.6° | 120.0° |
| C18 | C13 | H18 | 107.9° | 109.5° |
| C13 | N2 | C6 | 123.4° | 120.1° |
| N2 | C13 | H18 | 109.1° | 109.4° |
| C13 | N2 | H17 | 118.3° | 120.0° |
| C21 | C23 | C19 | 127.3° | 120.0° |
| C21 | C23 | H33 | 116.4° | 120.0° |
| C27 | N3 | C18 | 122.9° | 120.0° |
| C27 | N3 | C19 | 118.4° | 120.0° |
| N3 | C27 | H41 | 109.5° | 109.5° |
| N3 | C27 | H42 | 109.5° | 109.5° |
| N3 | C27 | H43 | 109.5° | 109.5° |
| N3 | C18 | O2 | 119.3° | 120.0° |
| C18 | N3 | C19 | 118.7° | 120.0° |
| C8 | N1 | C5 | 109.7° | 111.0° |
| C8 | N1 | H5 | 109.4° | 111.0° |
| N1 | C8 | H6 | 109.5° | 109.5° |
| N1 | C8 | H7 | 109.5° | 109.5° |
| N1 | C8 | H8 | 109.4° | 109.5° |
| N2 | C6 | O1 | 123.4° | 120.0° |
| N2 | C6 | C5 | 117.9° | 120.0° |
| C6 | N2 | H17 | 118.3° | 119.9° |
| N3 | C19 | C23 | 111.6° | 109.4° |
| N3 | C19 | C24 | 108.2° | 109.5° |
| N3 | C19 | H28 | 108.7° | 109.5° |
| C23 | C19 | C24 | 112.8° | 109.5° |
| C23 | C19 | H28 | 107.8° | 109.5° |
| C19 | C23 | H33 | 116.4° | 120.0° |
| O1 | C6 | C5 | 118.7° | 120.0° |
| C6 | C5 | N1 | 105.4° | 109.5° |
| C6 | C5 | C4 | 110.8° | 109.5° |
| C6 | C5 | H3 | 110.1° | 109.5° |
| C19 | C24 | C25 | 113.9° | 109.5° |
| C19 | C24 | C26 | 114.0° | 109.5° |
| C24 | C19 | H28 | 107.5° | 109.5° |
| C19 | C24 | H34 | 105.6° | 109.5° |
| N1 | C5 | C4 | 109.3° | 109.5° |
| N1 | C5 | H3 | 111.1° | 109.4° |
| C5 | N1 | H5 | 109.4° | 111.0° |
| C5 | C4 | C9 | 106.8° | 109.5° |
| C5 | C4 | C10 | 109.8° | 109.5° |
| C5 | C4 | C2 | 112.0° | 109.5° |
| C4 | C5 | H3 | 109.9° | 109.4° |
| C25 | C24 | C26 | 110.6° | 109.5° |
| C25 | C24 | H34 | 106.1° | 109.4° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C25 | H37 | 109.5° | 109.5° |
| C26 | C24 | H34 | 105.9° | 109.5° |
| C24 | C26 | H38 | 109.5° | 109.4° |
| C24 | C26 | H39 | 109.4° | 109.5° |
| C24 | C26 | H40 | 109.5° | 109.5° |
| C9 | C4 | C10 | 110.6° | 109.5° |
| C9 | C4 | C2 | 106.8° | 109.4° |
| C4 | C9 | H9 | 109.5° | 109.4° |
| C4 | C9 | H10 | 109.5° | 109.5° |
| C4 | C9 | H11 | 109.4° | 109.5° |
| C10 | C4 | C2 | 110.7° | 109.4° |
| C4 | C10 | H12 | 109.5° | 109.5° |
| C4 | C10 | H13 | 109.5° | 109.5° |
| C4 | C10 | H14 | 109.5° | 109.4° |
| C4 | C2 | C1 | 117.6° | 120.0° |
| C4 | C2 | C3 | 123.6° | 120.0° |
| C2 | C1 | C7 | 121.0° | 120.0° |
| C1 | C2 | C3 | 118.8° | 120.0° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C1 | C7 | C11 | 119.5° | 120.0° |
| C7 | C1 | H1 | 119.5° | 120.0° |
| C1 | C7 | H4 | 120.2° | 120.0° |
| C2 | C3 | C12 | 120.4° | 120.0° |
| C2 | C3 | H2 | 119.8° | 120.1° |
| C7 | C11 | C12 | 120.4° | 120.0° |
| C11 | C7 | H4 | 120.2° | 120.0° |
| C7 | C11 | H15 | 119.8° | 120.0° |
| C3 | C12 | C11 | 119.8° | 120.0° |
| C12 | C3 | H2 | 119.8° | 120.0° |
| C3 | C12 | H16 | 120.1° | 120.0° |
| C12 | C11 | H15 | 119.8° | 120.1° |
| C11 | C12 | H16 | 120.1° | 119.9° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | H32 | 109.5° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.4° |
| H35 | C25 | H37 | 109.4° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| H38 | C26 | H40 | 109.5° | 109.4° |
| H39 | C26 | H40 | 109.4° | 109.5° |
| H41 | C27 | H42 | 109.4° | 109.5° |
| H41 | C27 | H43 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.4° |
| H19 | C15 | H20 | 109.5° | 109.4° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.4° |
| H22 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.4° | 109.4° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H25 | C17 | H27 | 109.5° | 109.4° |
| H26 | C17 | H27 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.4° | 109.5° |
| H6 | C8 | H8 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H9 | C9 | H11 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C14 | C16 | C15 | 115.7° | 120.0° |
| C17 | C14 | C16 | C13 | 121.4° | 120.0° |
| C17 | C14 | C15 | C13 | 124.2° | 120.0° |
| C17 | C14 | C13 | C18 | 58.9° | 65.3° |
| C17 | C14 | C13 | N2 | 179.5° | 54.8° |
| C17 | C14 | C13 | H18 | 61.8° | 174.7° |
| C17 | C14 | C15 | H19 | 180.0° | 177.3° |
| C17 | C14 | C15 | H20 | 60.0° | 57.4° |
| C17 | C14 | C15 | H21 | 60.0° | 62.7° |
| C17 | C14 | C16 | H22 | 180.0° | 180.0° |
| C17 | C14 | C16 | H23 | 60.0° | 60.0° |
| C17 | C14 | C16 | H24 | 60.0° | 60.0° |
| C14 | C17 | H25 | H26 | 120.0° | 120.0° |
| C14 | C17 | H25 | H27 | 120.0° | 120.0° |
| C14 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C14 | C15 | C13 | 121.7° | 120.0° |
| C16 | C14 | C13 | C18 | 175.5° | 174.7° |
| C16 | C14 | C13 | N2 | 63.8° | 65.2° |
| C16 | C14 | C13 | H18 | 54.9° | 54.7° |
| C16 | C14 | C15 | H19 | 65.9° | 57.3° |
| C16 | C14 | C15 | H20 | 174.1° | 62.6° |
| C16 | C14 | C15 | H21 | 54.1° | 177.3° |
| C14 | C16 | H22 | H23 | 120.0° | 120.0° |
| C14 | C16 | H22 | H24 | 120.0° | 120.1° |
| C14 | C16 | H23 | H24 | 120.0° | 120.0° |
| C16 | C14 | C17 | H25 | 180.0° | 60.0° |
| C16 | C14 | C17 | H26 | 60.0° | 60.0° |
| C16 | C14 | C17 | H27 | 60.0° | 179.9° |
| O3 | C20 | O4 | C21 | 179.8° | 180.0° |
| O3 | C20 | C21 | C22 | 0.7° | 79.6° |
| O3 | C20 | C21 | C23 | 178.1° | 100.4° |
| O3 | C20 | O4 | H29 | 0.0° | 0.0° |
| C15 | C14 | C13 | C18 | 62.6° | 54.7° |
| C15 | C14 | C13 | N2 | 58.1° | 174.8° |
| C15 | C14 | C13 | H18 | 176.8° | 65.3° |
| C14 | C15 | H19 | H20 | 120.0° | 120.0° |
| C14 | C15 | H19 | H21 | 120.0° | 120.1° |
| C14 | C15 | H20 | H21 | 120.0° | 120.1° |
| C15 | C14 | C16 | H22 | 64.3° | 60.0° |
| C15 | C14 | C16 | H23 | 55.7° | 180.0° |
| C15 | C14 | C16 | H24 | 175.7° | 60.0° |
| C15 | C14 | C17 | H25 | 62.8° | 60.0° |
| C15 | C14 | C17 | H26 | 177.2° | 180.0° |
| C15 | C14 | C17 | H27 | 57.2° | 60.0° |
| C14 | C13 | C18 | N2 | 121.9° | 120.0° |
| C14 | C13 | C18 | H18 | 120.8° | 120.0° |
| C14 | C13 | N2 | H18 | 118.2° | 119.9° |
| C14 | C13 | C18 | N3 | 103.2° | 97.2° |
| C14 | C13 | C18 | O2 | 82.1° | 82.8° |
| C14 | C13 | N2 | C6 | 118.5° | 85.0° |
| C13 | C14 | C15 | H19 | 55.7° | 62.8° |
| C13 | C14 | C15 | H20 | 64.3° | 177.3° |
| C13 | C14 | C15 | H21 | 175.8° | 57.3° |
| C13 | C14 | C16 | H22 | 58.6° | 60.0° |
| C13 | C14 | C16 | H23 | 178.6° | 60.0° |
| C13 | C14 | C16 | H24 | 61.4° | 180.0° |
| C13 | C14 | C17 | H25 | 60.7° | 179.9° |
| C13 | C14 | C17 | H26 | 59.3° | 60.0° |
| C13 | C14 | C17 | H27 | 179.2° | 60.0° |
| C14 | C13 | N2 | H17 | 61.5° | 95.0° |
| O4 | C20 | C21 | C22 | 179.1° | 100.4° |
| O4 | C20 | C21 | C23 | 2.1° | 79.6° |
| C20 | C21 | C22 | C23 | 178.8° | 180.0° |
| C20 | C21 | C23 | C19 | 1.5° | 5.0° |
| C21 | C20 | O4 | H29 | 179.9° | 180.0° |
| C20 | C21 | C22 | H30 | 180.0° | 90.0° |
| C20 | C21 | C22 | H31 | 60.0° | 150.0° |
| C20 | C21 | C22 | H32 | 60.0° | 30.0° |
| C20 | C21 | C23 | H33 | 178.5° | 175.1° |
| C22 | C21 | C23 | C19 | 179.9° | 175.0° |
| C21 | C22 | H30 | H31 | 120.0° | 120.0° |
| C21 | C22 | H30 | H32 | 120.0° | 120.0° |
| C21 | C22 | H31 | H32 | 120.0° | 120.0° |
| C22 | C21 | C23 | H33 | 0.1° | 4.9° |
| C18 | C13 | N2 | H18 | 116.5° | 120.0° |
| C13 | C18 | N3 | C27 | 3.0° | 4.4° |
| C13 | C18 | N3 | O2 | 174.8° | 180.0° |
| C18 | C13 | N2 | C6 | 116.2° | 155.0° |
| C13 | C18 | N3 | C19 | 178.8° | 175.7° |
| C18 | C13 | N2 | H17 | 63.9° | 25.0° |
| N2 | C13 | C18 | N3 | 134.9° | 142.8° |
| N2 | C13 | C18 | O2 | 39.7° | 37.2° |
| C13 | N2 | C6 | H17 | 180.0° | 180.0° |
| C13 | N2 | C6 | O1 | 2.4° | 0.0° |
| C13 | N2 | C6 | C5 | 177.2° | 180.0° |
| C21 | C23 | C19 | N3 | 89.9° | 117.5° |
| C21 | C23 | C19 | H33 | 180.0° | 179.9° |
| C21 | C23 | C19 | C24 | 147.9° | 122.5° |
| C21 | C23 | C19 | H28 | 29.4° | 2.5° |
| C23 | C21 | C22 | H30 | 1.2° | 90.0° |
| C23 | C21 | C22 | H31 | 118.8° | 30.0° |
| C23 | C21 | C22 | H32 | 121.3° | 149.9° |
| C27 | N3 | C18 | C19 | 178.2° | 180.0° |
| C27 | N3 | C18 | O2 | 177.8° | 175.6° |
| C27 | N3 | C19 | C23 | 25.9° | 60.0° |
| C27 | N3 | C19 | C24 | 98.8° | 60.0° |
| C27 | N3 | C19 | H28 | 144.8° | 179.9° |
| N3 | C27 | H41 | H42 | 120.0° | 120.1° |
| N3 | C27 | H41 | H43 | 120.0° | 120.0° |
| N3 | C27 | H42 | H43 | 120.0° | 119.9° |
| C18 | N3 | C19 | C23 | 152.3° | 120.0° |
| C18 | N3 | C19 | C24 | 82.9° | 120.0° |
| C18 | N3 | C19 | H28 | 33.5° | 0.1° |
| N3 | C18 | C13 | H18 | 17.6° | 22.8° |
| C18 | N3 | C27 | H41 | 180.0° | 84.5° |
| C18 | N3 | C27 | H42 | 60.0° | 155.4° |
| C18 | N3 | C27 | H43 | 60.0° | 35.5° |
| O2 | C18 | N3 | C19 | 4.1° | 4.4° |
| O2 | C18 | C13 | H18 | 157.0° | 157.2° |
| C8 | N1 | C5 | C6 | 88.2° | 85.6° |
| C8 | N1 | C5 | H5 | 120.0° | 124.0° |
| C8 | N1 | C5 | C4 | 152.6° | 154.4° |
| C8 | N1 | C5 | H3 | 31.1° | 34.4° |
| N1 | C8 | H6 | H7 | 120.0° | 120.1° |
| N1 | C8 | H6 | H8 | 120.0° | 120.0° |
| N1 | C8 | H7 | H8 | 120.0° | 120.0° |
| N2 | C6 | O1 | C5 | 179.6° | 179.9° |
| N2 | C6 | C5 | N1 | 145.0° | 152.4° |
| N2 | C6 | C5 | C4 | 96.8° | 87.6° |
| C6 | N2 | C13 | H18 | 0.4° | 35.0° |
| N2 | C6 | C5 | H3 | 25.0° | 32.4° |
| N3 | C19 | C23 | C24 | 122.2° | 120.0° |
| N3 | C19 | C23 | H28 | 119.3° | 120.0° |
| N3 | C19 | C24 | H28 | 117.2° | 120.0° |
| N3 | C19 | C24 | C25 | 19.7° | 180.0° |
| N3 | C19 | C24 | C26 | 147.9° | 60.0° |
| N3 | C19 | C23 | H33 | 90.1° | 62.6° |
| N3 | C19 | C24 | H34 | 96.3° | 60.0° |
| C19 | N3 | C27 | H41 | 1.8° | 95.5° |
| C19 | N3 | C27 | H42 | 121.8° | 24.6° |
| C19 | N3 | C27 | H43 | 118.2° | 144.5° |
| C23 | C19 | C24 | H28 | 118.7° | 120.0° |
| C23 | C19 | C24 | C25 | 104.4° | 60.0° |
| C23 | C19 | C24 | C26 | 23.9° | 180.0° |
| C23 | C19 | C24 | H34 | 139.6° | 59.9° |
| O1 | C6 | C5 | N1 | 35.4° | 27.6° |
| O1 | C6 | C5 | C4 | 82.8° | 92.4° |
| O1 | C6 | C5 | H3 | 155.4° | 147.6° |
| O1 | C6 | N2 | H17 | 177.6° | 180.0° |
| C6 | C5 | N1 | C4 | 119.1° | 120.0° |
| C6 | C5 | N1 | H3 | 119.3° | 120.0° |
| C6 | C5 | C4 | H3 | 122.0° | 120.0° |
| C6 | C5 | C4 | C9 | 63.4° | 53.1° |
| C6 | C5 | C4 | C10 | 56.5° | 66.9° |
| C6 | C5 | C4 | C2 | 180.0° | 173.1° |
| C5 | C6 | N2 | H17 | 2.8° | 0.0° |
| C6 | C5 | N1 | H5 | 151.8° | 150.4° |
| C19 | C24 | C25 | C26 | 129.9° | 120.0° |
| C19 | C24 | C25 | H34 | 115.7° | 120.0° |
| C19 | C24 | C26 | H34 | 115.6° | 120.1° |
| C24 | C19 | C23 | H33 | 32.1° | 57.4° |
| C19 | C24 | C25 | H35 | 180.0° | 60.0° |
| C19 | C24 | C25 | H36 | 60.0° | 179.9° |
| C19 | C24 | C25 | H37 | 60.0° | 60.0° |
| C19 | C24 | C26 | H38 | 180.0° | 60.0° |
| C19 | C24 | C26 | H39 | 60.0° | 180.0° |
| C19 | C24 | C26 | H40 | 60.0° | 59.9° |
| N1 | C5 | C4 | H3 | 122.3° | 119.9° |
| N1 | C5 | C4 | C9 | 179.2° | 173.2° |
| N1 | C5 | C4 | C10 | 59.3° | 53.1° |
| N1 | C5 | C4 | C2 | 64.2° | 66.9° |
| C5 | N1 | C8 | H6 | 180.0° | 65.4° |
| C5 | N1 | C8 | H7 | 60.0° | 174.5° |
| C5 | N1 | C8 | H8 | 60.0° | 54.5° |
| C5 | C4 | C9 | C10 | 119.4° | 120.0° |
| C5 | C4 | C9 | C2 | 120.0° | 120.0° |
| C5 | C4 | C10 | C2 | 124.2° | 120.0° |
| C5 | C4 | C2 | C1 | 54.3° | 180.0° |
| C5 | C4 | C2 | C3 | 125.0° | 0.0° |
| C4 | C5 | N1 | H5 | 32.6° | 30.4° |
| C5 | C4 | C9 | H9 | 180.0° | 60.0° |
| C5 | C4 | C9 | H10 | 60.0° | 60.0° |
| C5 | C4 | C9 | H11 | 60.0° | 180.0° |
| C5 | C4 | C10 | H12 | 180.0° | 175.5° |
| C5 | C4 | C10 | H13 | 60.0° | 64.4° |
| C5 | C4 | C10 | H14 | 60.0° | 55.5° |
| C25 | C24 | C26 | H34 | 114.5° | 119.9° |
| C25 | C24 | C19 | H28 | 136.9° | 60.0° |
| C24 | C25 | H35 | H36 | 120.0° | 119.9° |
| C24 | C25 | H35 | H37 | 120.0° | 120.0° |
| C24 | C25 | H36 | H37 | 120.0° | 120.0° |
| C25 | C24 | C26 | H38 | 50.2° | 180.0° |
| C25 | C24 | C26 | H39 | 69.9° | 60.0° |
| C25 | C24 | C26 | H40 | 170.2° | 60.1° |
| C26 | C24 | C19 | H28 | 94.9° | 60.0° |
| C26 | C24 | C25 | H35 | 50.1° | 60.0° |
| C26 | C24 | C25 | H36 | 170.1° | 59.9° |
| C26 | C24 | C25 | H37 | 69.9° | 180.0° |
| C24 | C26 | H38 | H39 | 120.0° | 120.1° |
| C24 | C26 | H38 | H40 | 120.0° | 120.0° |
| C24 | C26 | H39 | H40 | 120.0° | 120.1° |
| C9 | C4 | C10 | C2 | 118.2° | 120.0° |
| C9 | C4 | C2 | C1 | 62.3° | 60.0° |
| C9 | C4 | C2 | C3 | 118.3° | 120.0° |
| C9 | C4 | C5 | H3 | 58.5° | 66.9° |
| C4 | C9 | H9 | H10 | 120.0° | 120.0° |
| C4 | C9 | H9 | H11 | 120.0° | 120.0° |
| C4 | C9 | H10 | H11 | 120.0° | 120.1° |
| C9 | C4 | C10 | H12 | 62.4° | 55.5° |
| C9 | C4 | C10 | H13 | 177.6° | 175.5° |
| C9 | C4 | C10 | H14 | 57.6° | 64.5° |
| C10 | C4 | C2 | C1 | 177.3° | 60.0° |
| C10 | C4 | C2 | C3 | 2.1° | 120.0° |
| C10 | C4 | C5 | H3 | 178.4° | 173.1° |
| C10 | C4 | C9 | H9 | 60.6° | 60.0° |
| C10 | C4 | C9 | H10 | 59.4° | 180.0° |
| C10 | C4 | C9 | H11 | 179.4° | 60.0° |
| C4 | C10 | H12 | H13 | 120.0° | 120.0° |
| C4 | C10 | H12 | H14 | 120.0° | 120.0° |
| C4 | C10 | H13 | H14 | 120.0° | 120.0° |
| C4 | C2 | C1 | C3 | 179.4° | 179.9° |
| C4 | C2 | C1 | C7 | 179.0° | 180.0° |
| C4 | C2 | C3 | C12 | 179.3° | 180.0° |
| C4 | C2 | C1 | H1 | 1.0° | 0.3° |
| C4 | C2 | C3 | H2 | 0.7° | 0.0° |
| C2 | C4 | C5 | H3 | 58.1° | 53.1° |
| C2 | C4 | C9 | H9 | 60.0° | 180.0° |
| C2 | C4 | C9 | H10 | 179.9° | 60.0° |
| C2 | C4 | C9 | H11 | 60.0° | 60.0° |
| C2 | C4 | C10 | H12 | 55.8° | 64.5° |
| C2 | C4 | C10 | H13 | 64.3° | 55.6° |
| C2 | C4 | C10 | H14 | 175.8° | 175.5° |
| C2 | C1 | C7 | H1 | 180.0° | 179.7° |
| C2 | C1 | C7 | C11 | 1.6° | 0.1° |
| C1 | C2 | C3 | C12 | 0.0° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C7 | H4 | 178.4° | 180.0° |
| C7 | C1 | C2 | C3 | 0.4° | 0.1° |
| C1 | C7 | C11 | H4 | 180.0° | 180.0° |
| C1 | C7 | C11 | C12 | 2.5° | 0.1° |
| C1 | C7 | C11 | H15 | 177.5° | 180.0° |
| C2 | C3 | C12 | H2 | 180.0° | 180.0° |
| C2 | C3 | C12 | C11 | 0.9° | 0.1° |
| C3 | C2 | C1 | H1 | 179.6° | 179.7° |
| C2 | C3 | C12 | H16 | 179.1° | 180.0° |
| C7 | C11 | C12 | C3 | 2.1° | 0.1° |
| C7 | C11 | C12 | H15 | 180.0° | 179.9° |
| C11 | C7 | C1 | H1 | 178.4° | 179.7° |
| C7 | C11 | C12 | H16 | 177.9° | 180.0° |
| C3 | C12 | C11 | H16 | 180.0° | 179.9° |
| C3 | C12 | C11 | H15 | 177.9° | 180.0° |
| C11 | C12 | C3 | H2 | 179.1° | 179.9° |
| C12 | C11 | C7 | H4 | 177.5° | 180.0° |
| H1 | C1 | C7 | H4 | 1.6° | 0.3° |
| H28 | C19 | C23 | H33 | 150.6° | 177.4° |
| H28 | C19 | C24 | H34 | 20.9° | 179.9° |
| H2 | C3 | C12 | H16 | 0.9° | 0.0° |
| H18 | C13 | N2 | H17 | 179.6° | 145.0° |
| H3 | C5 | N1 | H5 | 88.9° | 89.6° |
| H4 | C7 | C11 | H15 | 2.5° | 0.0° |
| H30 | C22 | H31 | H32 | 120.0° | 120.0° |
| H34 | C24 | C25 | H35 | 64.3° | 180.0° |
| H34 | C24 | C25 | H36 | 55.7° | 60.1° |
| H34 | C24 | C25 | H37 | 175.7° | 60.0° |
| H34 | C24 | C26 | H38 | 64.4° | 60.1° |
| H34 | C24 | C26 | H39 | 175.6° | 59.9° |
| H34 | C24 | C26 | H40 | 55.6° | 180.0° |
| H35 | C25 | H36 | H37 | 120.0° | 120.1° |
| H38 | C26 | H39 | H40 | 120.0° | 119.9° |
| H41 | C27 | H42 | H43 | 120.0° | 120.0° |
| H19 | C15 | H20 | H21 | 120.0° | 120.0° |
| H22 | C16 | H23 | H24 | 120.0° | 120.0° |
| H25 | C17 | H26 | H27 | 120.0° | 119.9° |
| H5 | N1 | C8 | H6 | 59.9° | 170.6° |
| H5 | N1 | C8 | H7 | 60.0° | 50.5° |
| H5 | N1 | C8 | H8 | 180.0° | 69.5° |
| H6 | C8 | H7 | H8 | 120.0° | 120.0° |
| H9 | C9 | H10 | H11 | 120.0° | 120.0° |
| H12 | C10 | H13 | H14 | 120.0° | 120.0° |
| H15 | C11 | C12 | H16 | 2.1° | 0.1° |
