PRD_000701
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C5 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | O3 | sing | 1.36Å | 1.38Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| N2 | C15 | sing | 1.46Å | 1.47Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N3 | C21 | sing | 1.46Å | 1.47Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | O5 | doub | 1.21Å | 1.44Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | O6 | sing | 1.36Å | 1.38Å | |
| O6 | H39 | sing | 0.97Å | 0.95Å | |
| C5 | N1 | sing | 1.35Å | 1.33Å | |
| C16 | N3 | sing | 1.35Å | 1.32Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 106.5° | 109.5° |
| C2 | C1 | H1 | 110.2° | 109.5° |
| C2 | C1 | H2 | 110.2° | 109.5° |
| C1 | C2 | C3 | 109.9° | 109.5° |
| C1 | C2 | C4 | 109.5° | 109.5° |
| C1 | C2 | H3 | 108.4° | 109.5° |
| C5 | C1 | H1 | 110.2° | 109.4° |
| C5 | C1 | H2 | 110.2° | 109.5° |
| C1 | C5 | O1 | 119.7° | 120.0° |
| C1 | C5 | N1 | 115.2° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| C3 | C2 | C4 | 111.4° | 109.4° |
| C3 | C2 | H3 | 108.8° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C4 | C2 | H3 | 108.8° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.4° |
| H7 | C4 | H9 | 109.4° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| O1 | C5 | N1 | 125.1° | 120.0° |
| C6 | N1 | H10 | 118.4° | 120.0° |
| N1 | C6 | C7 | 111.7° | 109.5° |
| N1 | C6 | C8 | 107.8° | 109.5° |
| N1 | C6 | H11 | 109.3° | 109.5° |
| C6 | N1 | C5 | 123.2° | 120.0° |
| H10 | N1 | C5 | 118.4° | 120.0° |
| C7 | C6 | C8 | 111.0° | 109.5° |
| C7 | C6 | H11 | 108.6° | 109.5° |
| C6 | C7 | O2 | 123.4° | 120.0° |
| C6 | C7 | N2 | 116.3° | 120.0° |
| C8 | C6 | H11 | 108.3° | 109.5° |
| C6 | C8 | C9 | 109.7° | 109.5° |
| C6 | C8 | H12 | 109.4° | 109.5° |
| C6 | C8 | H13 | 109.4° | 109.4° |
| O2 | C7 | N2 | 120.3° | 120.0° |
| C9 | C8 | H12 | 109.4° | 109.5° |
| C9 | C8 | H13 | 109.4° | 109.5° |
| C8 | C9 | C10 | 119.3° | 119.9° |
| C8 | C9 | C11 | 121.3° | 120.0° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| C10 | C9 | C11 | 119.4° | 120.1° |
| C9 | C10 | C12 | 121.8° | 120.0° |
| C9 | C10 | H14 | 119.1° | 120.0° |
| C9 | C11 | C13 | 119.5° | 120.1° |
| C9 | C11 | H15 | 120.3° | 120.0° |
| C12 | C10 | H14 | 119.1° | 120.0° |
| C10 | C12 | C14 | 117.9° | 120.0° |
| C10 | C12 | H16 | 121.1° | 120.0° |
| C13 | C11 | H15 | 120.3° | 120.0° |
| C11 | C13 | C14 | 120.1° | 119.9° |
| C11 | C13 | H17 | 119.9° | 120.0° |
| C14 | C12 | H16 | 121.1° | 120.0° |
| C12 | C14 | C13 | 121.3° | 119.9° |
| C12 | C14 | O3 | 120.6° | 120.0° |
| C14 | C13 | H17 | 120.0° | 120.0° |
| C13 | C14 | O3 | 118.1° | 120.1° |
| C14 | O3 | H18 | 109.5° | 114.0° |
| C15 | N2 | H19 | 119.8° | 120.0° |
| N2 | C15 | C16 | 108.2° | 109.5° |
| N2 | C15 | C17 | 109.0° | 109.4° |
| N2 | C15 | H20 | 109.5° | 109.5° |
| C15 | N2 | C7 | 120.3° | 120.0° |
| H19 | N2 | C7 | 119.9° | 120.0° |
| C16 | C15 | C17 | 112.8° | 109.4° |
| C16 | C15 | H20 | 108.8° | 109.5° |
| C15 | C16 | O4 | 122.7° | 120.0° |
| C15 | C16 | N3 | 113.7° | 120.0° |
| C17 | C15 | H20 | 108.6° | 109.4° |
| C15 | C17 | C18 | 116.4° | 109.4° |
| C15 | C17 | H21 | 107.7° | 109.5° |
| C15 | C17 | H22 | 107.7° | 109.5° |
| O4 | C16 | N3 | 123.6° | 120.0° |
| C18 | C17 | H21 | 107.7° | 109.5° |
| C18 | C17 | H22 | 107.7° | 109.4° |
| C17 | C18 | C19 | 109.7° | 109.4° |
| C17 | C18 | C20 | 110.7° | 109.5° |
| C17 | C18 | H23 | 107.9° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| C19 | C18 | C20 | 111.9° | 109.5° |
| C19 | C18 | H23 | 108.3° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C18 | C19 | H26 | 109.5° | 109.5° |
| C20 | C18 | H23 | 108.2° | 109.5° |
| C18 | C20 | H27 | 109.5° | 109.5° |
| C18 | C20 | H28 | 109.5° | 109.5° |
| C18 | C20 | H29 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.4° | 109.5° |
| H27 | C20 | H29 | 109.5° | 109.4° |
| H28 | C20 | H29 | 109.4° | 109.5° |
| C21 | N3 | H30 | 119.7° | 120.0° |
| N3 | C21 | C22 | 111.3° | 109.5° |
| N3 | C21 | C23 | 107.2° | 109.5° |
| N3 | C21 | H31 | 108.9° | 109.5° |
| C21 | N3 | C16 | 120.6° | 120.0° |
| H30 | N3 | C16 | 119.7° | 120.0° |
| C22 | C21 | C23 | 112.9° | 109.5° |
| C22 | C21 | H31 | 108.1° | 109.4° |
| C21 | C22 | O5 | 113.1° | 120.0° |
| C21 | C22 | H32 | 123.5° | 120.0° |
| C23 | C21 | H31 | 108.3° | 109.5° |
| C21 | C23 | C24 | 116.3° | 109.5° |
| C21 | C23 | H33 | 107.7° | 109.5° |
| C21 | C23 | H34 | 107.7° | 109.5° |
| O5 | C22 | H32 | 123.4° | 120.0° |
| C24 | C23 | H33 | 107.7° | 109.4° |
| C24 | C23 | H34 | 107.8° | 109.5° |
| C23 | C24 | C25 | 118.1° | 120.0° |
| C23 | C24 | C26 | 123.7° | 119.9° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| C25 | C24 | C26 | 118.2° | 120.1° |
| C24 | C25 | C27 | 120.9° | 120.1° |
| C24 | C25 | H35 | 119.5° | 120.0° |
| C24 | C26 | C28 | 122.2° | 120.0° |
| C24 | C26 | H36 | 118.9° | 120.0° |
| C27 | C25 | H35 | 119.6° | 119.9° |
| C25 | C27 | C29 | 119.4° | 119.9° |
| C25 | C27 | H37 | 120.3° | 120.0° |
| C28 | C26 | H36 | 118.9° | 120.0° |
| C26 | C28 | C29 | 118.7° | 120.0° |
| C26 | C28 | H38 | 120.6° | 120.0° |
| C29 | C27 | H37 | 120.3° | 120.0° |
| C27 | C29 | C28 | 120.6° | 119.9° |
| C27 | C29 | O6 | 120.4° | 120.0° |
| C29 | C28 | H38 | 120.7° | 120.0° |
| C28 | C29 | O6 | 119.0° | 120.1° |
| C29 | O6 | H39 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 119.5° | 120.0° |
| C2 | C1 | C5 | H2 | 119.5° | 120.0° |
| C2 | C1 | H1 | H2 | 121.3° | 120.0° |
| C1 | C2 | C3 | C4 | 121.5° | 120.0° |
| C1 | C2 | C3 | H3 | 118.5° | 120.0° |
| C1 | C2 | C4 | H3 | 118.3° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 60.0° |
| C1 | C2 | C3 | H5 | 60.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C4 | H7 | 180.0° | 59.9° |
| C1 | C2 | C4 | H8 | 60.0° | 60.0° |
| C1 | C2 | C4 | H9 | 60.0° | 180.0° |
| C2 | C1 | C5 | O1 | 56.8° | 0.0° |
| C2 | C1 | C5 | N1 | 122.7° | 180.0° |
| C5 | C1 | H1 | H2 | 121.4° | 120.0° |
| C5 | C1 | C2 | C3 | 66.9° | 175.0° |
| C5 | C1 | C2 | C4 | 170.4° | 65.0° |
| C5 | C1 | C2 | H3 | 51.9° | 55.0° |
| C1 | C5 | O1 | N1 | 179.4° | 179.9° |
| C1 | C5 | N1 | C6 | 179.0° | 180.0° |
| C1 | C5 | N1 | H10 | 1.0° | 0.1° |
| H1 | C1 | C2 | C3 | 173.5° | 65.0° |
| H1 | C1 | C2 | C4 | 50.9° | 54.9° |
| H1 | C1 | C2 | H3 | 67.7° | 174.9° |
| H1 | C1 | C5 | O1 | 62.7° | 120.0° |
| H1 | C1 | C5 | N1 | 117.8° | 60.0° |
| H2 | C1 | C2 | C3 | 52.6° | 55.0° |
| H2 | C1 | C2 | C4 | 70.1° | 175.0° |
| H2 | C1 | C2 | H3 | 171.4° | 65.0° |
| H2 | C1 | C5 | O1 | 176.3° | 120.0° |
| H2 | C1 | C5 | N1 | 3.1° | 60.1° |
| C3 | C2 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 58.2° | 60.1° |
| C3 | C2 | C4 | H8 | 61.7° | 180.0° |
| C3 | C2 | C4 | H9 | 178.2° | 60.0° |
| C4 | C2 | C3 | H4 | 58.5° | 60.0° |
| C4 | C2 | C3 | H5 | 178.5° | 60.0° |
| C4 | C2 | C3 | H6 | 61.5° | 180.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| H3 | C2 | C3 | H4 | 61.5° | NaN° |
| H3 | C2 | C3 | H5 | 58.5° | 60.0° |
| H3 | C2 | C3 | H6 | 178.5° | 60.0° |
| H3 | C2 | C4 | H7 | 61.8° | 180.0° |
| H3 | C2 | C4 | H8 | 178.3° | 60.0° |
| H3 | C2 | C4 | H9 | 58.2° | 60.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | H8 | H9 | 119.9° | 120.0° |
| O1 | C5 | N1 | C6 | 1.5° | 0.1° |
| O1 | C5 | N1 | H10 | 178.5° | 180.0° |
| C6 | N1 | H10 | C5 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 120.4° | 120.0° |
| N1 | C6 | C7 | H11 | 120.6° | 120.0° |
| N1 | C6 | C8 | H11 | 118.2° | 120.0° |
| N1 | C6 | C7 | O2 | 34.3° | 19.9° |
| N1 | C6 | C8 | C9 | 61.6° | 65.0° |
| N1 | C6 | C8 | H12 | 58.4° | 55.0° |
| N1 | C6 | C8 | H13 | 178.4° | 175.0° |
| N1 | C6 | C7 | N2 | 145.4° | 160.0° |
| H10 | N1 | C6 | C7 | 64.4° | 120.0° |
| H10 | N1 | C6 | C8 | 57.8° | 120.0° |
| H10 | N1 | C6 | H11 | 175.4° | 0.0° |
| C7 | C6 | C8 | H11 | 119.1° | 120.0° |
| C6 | C7 | O2 | N2 | 179.7° | 179.9° |
| C7 | C6 | C8 | C9 | 175.7° | 175.0° |
| C7 | C6 | C8 | H12 | 64.3° | 65.0° |
| C7 | C6 | C8 | H13 | 55.7° | 55.0° |
| C6 | C7 | N2 | C15 | 173.7° | 175.0° |
| C6 | C7 | N2 | H19 | 6.3° | 5.0° |
| C7 | C6 | N1 | C5 | 115.6° | 60.0° |
| C8 | C6 | C7 | O2 | 86.1° | 100.0° |
| C6 | C8 | C9 | H12 | 120.0° | 120.0° |
| C6 | C8 | C9 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H13 | 119.9° | 120.0° |
| C6 | C8 | C9 | C10 | 105.1° | 90.0° |
| C6 | C8 | C9 | C11 | 74.3° | 90.3° |
| C8 | C6 | N1 | C5 | 122.2° | 60.0° |
| C8 | C6 | C7 | N2 | 94.2° | 80.0° |
| H11 | C6 | C7 | O2 | 155.0° | 140.0° |
| H11 | C6 | C8 | C9 | 56.6° | 55.0° |
| H11 | C6 | C8 | H12 | 176.6° | 175.0° |
| H11 | C6 | C8 | H13 | 63.4° | 65.0° |
| H11 | C6 | N1 | C5 | 4.6° | 180.0° |
| H11 | C6 | C7 | N2 | 24.7° | 40.0° |
| O2 | C7 | N2 | C15 | 6.6° | 5.1° |
| O2 | C7 | N2 | H19 | 173.4° | 175.0° |
| C9 | C8 | H12 | H13 | 119.9° | 120.1° |
| C8 | C9 | C10 | C11 | 179.5° | 179.7° |
| C8 | C9 | C10 | C12 | 179.8° | 180.0° |
| C8 | C9 | C10 | H14 | 0.2° | 0.1° |
| C8 | C9 | C11 | C13 | 179.9° | 179.9° |
| C8 | C9 | C11 | H15 | 0.2° | 0.0° |
| H12 | C8 | C9 | C10 | 14.9° | 30.0° |
| H12 | C8 | C9 | C11 | 165.6° | 149.7° |
| H13 | C8 | C9 | C10 | 134.8° | 150.0° |
| H13 | C8 | C9 | C11 | 45.7° | 29.7° |
| C9 | C10 | C12 | H14 | 180.0° | 180.0° |
| C10 | C9 | C11 | C13 | 0.4° | 0.3° |
| C10 | C9 | C11 | H15 | 179.6° | 179.7° |
| C9 | C10 | C12 | C14 | 0.1° | 0.0° |
| C9 | C10 | C12 | H16 | 179.9° | 180.0° |
| C11 | C9 | C10 | C12 | 0.3° | 0.3° |
| C11 | C9 | C10 | H14 | 179.7° | 179.8° |
| C9 | C11 | C13 | H15 | 180.0° | 179.9° |
| C9 | C11 | C13 | C14 | 0.3° | 0.0° |
| C9 | C11 | C13 | H17 | 179.7° | 179.9° |
| C10 | C12 | C14 | H16 | 180.0° | 180.0° |
| C10 | C12 | C14 | C13 | 0.0° | 0.3° |
| C10 | C12 | C14 | O3 | 179.8° | 180.0° |
| H14 | C10 | C12 | C14 | 179.9° | 179.9° |
| H14 | C10 | C12 | H16 | 0.2° | 0.0° |
| C11 | C13 | C14 | C12 | 0.2° | 0.3° |
| C11 | C13 | C14 | H17 | 180.0° | 180.0° |
| C11 | C13 | C14 | O3 | 179.9° | 180.0° |
| H15 | C11 | C13 | C14 | 179.7° | 180.0° |
| H15 | C11 | C13 | H17 | 0.3° | 0.0° |
| C12 | C14 | C13 | O3 | 179.7° | 179.7° |
| C12 | C14 | C13 | H17 | 179.9° | 179.7° |
| C12 | C14 | O3 | H18 | 180.0° | 90.0° |
| H16 | C12 | C14 | C13 | 179.9° | 179.7° |
| H16 | C12 | C14 | O3 | 0.2° | 0.0° |
| C13 | C14 | O3 | H18 | 0.3° | 89.7° |
| H17 | C13 | C14 | O3 | 0.1° | 0.1° |
| C15 | N2 | H19 | C7 | 180.0° | 179.9° |
| N2 | C15 | C16 | C17 | 120.6° | 119.9° |
| N2 | C15 | C16 | H20 | 118.8° | 120.1° |
| N2 | C15 | C17 | H20 | 119.2° | 120.0° |
| N2 | C15 | C16 | O4 | 52.1° | 13.4° |
| N2 | C15 | C17 | C18 | 48.0° | 174.0° |
| N2 | C15 | C17 | H21 | 73.0° | 54.0° |
| N2 | C15 | C17 | H22 | 169.0° | 66.1° |
| N2 | C15 | C16 | N3 | 128.9° | 166.5° |
| H19 | N2 | C15 | C16 | 95.2° | 28.5° |
| H19 | N2 | C15 | C17 | 27.8° | 91.5° |
| H19 | N2 | C15 | H20 | 146.4° | 148.5° |
| C16 | C15 | C17 | H20 | 120.7° | 120.0° |
| C15 | C16 | O4 | N3 | 178.9° | 179.9° |
| C16 | C15 | C17 | C18 | 168.2° | 66.1° |
| C16 | C15 | C17 | H21 | 47.1° | 173.9° |
| C16 | C15 | C17 | H22 | 70.8° | 53.9° |
| C15 | C16 | N3 | C21 | 178.1° | 175.0° |
| C15 | C16 | N3 | H30 | 1.9° | 5.0° |
| C16 | C15 | N2 | C7 | 84.8° | 151.5° |
| C17 | C15 | C16 | O4 | 68.5° | 106.6° |
| C15 | C17 | C18 | H21 | 121.0° | 120.0° |
| C15 | C17 | C18 | H22 | 121.0° | 119.9° |
| C15 | C17 | H21 | H22 | 116.8° | 120.0° |
| C15 | C17 | C18 | C19 | 178.5° | 66.4° |
| C15 | C17 | C18 | C20 | 57.6° | 173.6° |
| C15 | C17 | C18 | H23 | 60.6° | 53.6° |
| C17 | C15 | C16 | N3 | 110.5° | 73.5° |
| C17 | C15 | N2 | C7 | 152.3° | 88.6° |
| H20 | C15 | C16 | O4 | 170.9° | 133.5° |
| H20 | C15 | C17 | C18 | 71.2° | 53.9° |
| H20 | C15 | C17 | H21 | 167.8° | 66.1° |
| H20 | C15 | C17 | H22 | 49.8° | 173.9° |
| H20 | C15 | C16 | N3 | 10.1° | 46.4° |
| H20 | C15 | N2 | C7 | 33.6° | 31.4° |
| O4 | C16 | N3 | C21 | 2.9° | 4.9° |
| O4 | C16 | N3 | H30 | 177.1° | 175.1° |
| C18 | C17 | H21 | H22 | 116.9° | 120.0° |
| C17 | C18 | C19 | C20 | 123.2° | 120.0° |
| C17 | C18 | C19 | H23 | 117.6° | 120.0° |
| C17 | C18 | C20 | H23 | 118.1° | 120.0° |
| C17 | C18 | C19 | H24 | 180.0° | 175.8° |
| C17 | C18 | C19 | H25 | 60.0° | 55.8° |
| C17 | C18 | C19 | H26 | 60.0° | 64.2° |
| C17 | C18 | C20 | H27 | 180.0° | 60.0° |
| C17 | C18 | C20 | H28 | 60.0° | 179.9° |
| C17 | C18 | C20 | H29 | 60.0° | 59.9° |
| H21 | C17 | C18 | C19 | 57.5° | 53.6° |
| H21 | C17 | C18 | C20 | 178.6° | 66.4° |
| H21 | C17 | C18 | H23 | 60.4° | 173.6° |
| H22 | C17 | C18 | C19 | 60.5° | 173.7° |
| H22 | C17 | C18 | C20 | 63.4° | 53.7° |
| H22 | C17 | C18 | H23 | 178.4° | 66.3° |
| C19 | C18 | C20 | H23 | 119.2° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H26 | 120.0° | 120.0° |
| C18 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C18 | C20 | H27 | 57.3° | 180.0° |
| C19 | C18 | C20 | H28 | 62.7° | 60.0° |
| C19 | C18 | C20 | H29 | 177.3° | 60.0° |
| C20 | C18 | C19 | H24 | 56.8° | 64.2° |
| C20 | C18 | C19 | H25 | 176.7° | 175.8° |
| C20 | C18 | C19 | H26 | 63.3° | 55.8° |
| C18 | C20 | H27 | H28 | 120.0° | 120.1° |
| C18 | C20 | H27 | H29 | 120.0° | 120.0° |
| C18 | C20 | H28 | H29 | 120.0° | 120.0° |
| H23 | C18 | C19 | H24 | 62.4° | 55.8° |
| H23 | C18 | C19 | H25 | 57.6° | 64.2° |
| H23 | C18 | C19 | H26 | 177.6° | 175.8° |
| H23 | C18 | C20 | H27 | 61.9° | 60.0° |
| H23 | C18 | C20 | H28 | 178.1° | 60.0° |
| H23 | C18 | C20 | H29 | 58.1° | 180.0° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| H27 | C20 | H28 | H29 | 120.0° | 120.0° |
| C21 | N3 | H30 | C16 | 180.0° | 180.0° |
| N3 | C21 | C22 | C23 | 120.7° | 120.1° |
| N3 | C21 | C22 | H31 | 119.6° | 120.0° |
| N3 | C21 | C23 | H31 | 117.3° | 120.0° |
| N3 | C21 | C22 | O5 | 179.9° | 0.1° |
| N3 | C21 | C22 | H32 | 0.1° | 180.0° |
| N3 | C21 | C23 | C24 | 72.3° | 65.0° |
| N3 | C21 | C23 | H33 | 48.7° | 55.0° |
| N3 | C21 | C23 | H34 | 166.7° | 175.0° |
| H30 | N3 | C21 | C22 | 81.8° | 95.0° |
| H30 | N3 | C21 | C23 | 42.2° | 25.0° |
| H30 | N3 | C21 | H31 | 159.1° | 145.0° |
| C22 | C21 | C23 | H31 | 119.7° | 120.0° |
| C21 | C22 | O5 | H32 | 180.0° | 179.9° |
| C22 | C21 | C23 | C24 | 164.7° | 175.0° |
| C22 | C21 | C23 | H33 | 74.3° | 65.1° |
| C22 | C21 | C23 | H34 | 43.7° | 55.0° |
| C22 | C21 | N3 | C16 | 98.2° | 85.0° |
| C23 | C21 | C22 | O5 | 59.2° | 120.0° |
| C23 | C21 | C22 | H32 | 120.8° | 60.0° |
| C21 | C23 | C24 | H33 | 121.0° | 120.0° |
| C21 | C23 | C24 | H34 | 121.0° | 120.0° |
| C21 | C23 | H33 | H34 | 116.9° | 120.1° |
| C21 | C23 | C24 | C25 | 153.3° | 90.0° |
| C21 | C23 | C24 | C26 | 27.3° | 90.3° |
| C23 | C21 | N3 | C16 | 137.8° | 155.0° |
| H31 | C21 | C22 | O5 | 60.5° | 120.0° |
| H31 | C21 | C22 | H32 | 119.5° | 60.0° |
| H31 | C21 | C23 | C24 | 45.0° | 55.1° |
| H31 | C21 | C23 | H33 | 166.0° | 175.0° |
| H31 | C21 | C23 | H34 | 76.0° | 65.0° |
| H31 | C21 | N3 | C16 | 20.9° | 35.0° |
| C24 | C23 | H33 | H34 | 116.9° | 120.0° |
| C23 | C24 | C25 | C26 | 179.5° | 179.7° |
| C23 | C24 | C25 | C27 | 179.9° | 180.0° |
| C23 | C24 | C25 | H35 | 0.1° | 0.1° |
| C23 | C24 | C26 | C28 | 179.3° | 180.0° |
| C23 | C24 | C26 | H36 | 0.7° | 0.0° |
| H33 | C23 | C24 | C25 | 32.3° | 30.0° |
| H33 | C23 | C24 | C26 | 148.3° | 149.7° |
| H34 | C23 | C24 | C25 | 85.7° | 150.0° |
| H34 | C23 | C24 | C26 | 93.7° | 29.7° |
| C24 | C25 | C27 | H35 | 180.0° | 179.9° |
| C25 | C24 | C26 | C28 | 0.1° | 0.3° |
| C25 | C24 | C26 | H36 | 179.9° | 179.7° |
| C24 | C25 | C27 | C29 | 1.3° | 0.0° |
| C24 | C25 | C27 | H37 | 178.8° | 180.0° |
| C26 | C24 | C25 | C27 | 0.6° | 0.3° |
| C26 | C24 | C25 | H35 | 179.4° | 179.8° |
| C24 | C26 | C28 | H36 | 180.0° | 180.0° |
| C24 | C26 | C28 | C29 | 0.1° | 0.0° |
| C24 | C26 | C28 | H38 | 179.9° | 179.9° |
| C25 | C27 | C29 | H37 | 180.0° | 180.0° |
| C25 | C27 | C29 | C28 | 1.3° | 0.3° |
| C25 | C27 | C29 | O6 | 179.8° | 180.0° |
| H35 | C25 | C27 | C29 | 178.8° | 179.9° |
| H35 | C25 | C27 | H37 | 1.2° | 0.1° |
| C26 | C28 | C29 | C27 | 0.6° | 0.3° |
| C26 | C28 | C29 | H38 | 180.0° | 179.9° |
| C26 | C28 | C29 | O6 | 179.6° | 180.0° |
| H36 | C26 | C28 | C29 | 179.9° | 180.0° |
| H36 | C26 | C28 | H38 | 0.1° | 0.1° |
| C27 | C29 | C28 | O6 | 179.0° | 179.7° |
| C27 | C29 | C28 | H38 | 179.4° | 179.6° |
| C27 | C29 | O6 | H39 | 180.0° | 89.9° |
| H37 | C27 | C29 | C28 | 178.8° | 179.7° |
| H37 | C27 | C29 | O6 | 0.2° | 0.0° |
| C28 | C29 | O6 | H39 | 1.0° | 89.7° |
| H38 | C28 | C29 | O6 | 0.4° | 0.1° |
