PRD_000911
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | O2 | sing | 1.35Å | 1.45Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.47Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.46Å | 1.47Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| O6 | C27 | doub | 1.21Å | 1.22Å | |
| N6 | C27 | sing | 1.35Å | 1.33Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | N5 | sing | 1.46Å | 1.47Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | N4 | doub | 1.28Å | 1.26Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| N6 | H41 | sing | 0.97Å | 1.00Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C13 | N3 | sing | 1.35Å | 1.34Å | |
| C18 | N5 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.1° | 120.0° |
| O1 | C1 | N1 | 123.4° | 120.0° |
| C1 | O2 | C2 | 119.2° | 117.0° |
| O2 | C1 | N1 | 116.5° | 120.0° |
| O2 | C2 | C3 | 111.1° | 109.5° |
| O2 | C2 | H1 | 109.1° | 109.5° |
| O2 | C2 | H2 | 109.1° | 109.5° |
| C3 | C2 | H1 | 109.1° | 109.4° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C2 | C3 | C4 | 121.2° | 120.0° |
| C2 | C3 | C8 | 118.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| C4 | C3 | C8 | 120.9° | 120.0° |
| C3 | C4 | C5 | 118.7° | 120.0° |
| C3 | C4 | H3 | 120.7° | 119.9° |
| C3 | C8 | C7 | 120.2° | 120.0° |
| C3 | C8 | H7 | 119.9° | 120.1° |
| C5 | C4 | H3 | 120.7° | 120.1° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C4 | C5 | H4 | 119.6° | 120.0° |
| C6 | C5 | H4 | 119.6° | 120.0° |
| C5 | C6 | C7 | 120.5° | 120.0° |
| C5 | C6 | H5 | 119.7° | 120.0° |
| C7 | C6 | H5 | 119.7° | 120.0° |
| C6 | C7 | C8 | 118.9° | 120.0° |
| C6 | C7 | H6 | 120.5° | 120.0° |
| C8 | C7 | H6 | 120.6° | 120.0° |
| C7 | C8 | H7 | 119.9° | 120.0° |
| C9 | N1 | H8 | 120.2° | 120.0° |
| N1 | C9 | C10 | 114.2° | 109.5° |
| N1 | C9 | C11 | 110.2° | 109.4° |
| N1 | C9 | H9 | 107.9° | 109.5° |
| C9 | N1 | C1 | 119.6° | 120.0° |
| H8 | N1 | C1 | 120.2° | 120.0° |
| C10 | C9 | C11 | 109.6° | 109.5° |
| C10 | C9 | H9 | 107.4° | 109.5° |
| C9 | C10 | O3 | 121.9° | 120.0° |
| C9 | C10 | N2 | 116.8° | 120.0° |
| C11 | C9 | H9 | 107.2° | 109.5° |
| C9 | C11 | H10 | 109.5° | 109.4° |
| C9 | C11 | H11 | 109.5° | 109.5° |
| C9 | C11 | H12 | 109.5° | 109.5° |
| O3 | C10 | N2 | 121.3° | 120.0° |
| H10 | C11 | H11 | 109.4° | 109.4° |
| H10 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| C12 | N2 | H13 | 118.5° | 120.0° |
| N2 | C12 | C13 | 108.7° | 109.4° |
| N2 | C12 | C14 | 110.4° | 109.5° |
| N2 | C12 | H14 | 110.5° | 109.5° |
| C12 | N2 | C10 | 123.1° | 120.0° |
| H13 | N2 | C10 | 118.4° | 120.0° |
| C13 | C12 | C14 | 107.9° | 109.5° |
| C13 | C12 | H14 | 109.9° | 109.4° |
| C12 | C13 | O4 | 119.7° | 120.1° |
| C12 | C13 | N3 | 117.1° | 120.0° |
| C14 | C12 | H14 | 109.5° | 109.5° |
| C12 | C14 | C15 | 111.4° | 109.5° |
| C12 | C14 | C16 | 111.8° | 109.5° |
| C12 | C14 | H15 | 108.8° | 109.5° |
| O4 | C13 | N3 | 123.2° | 120.0° |
| C15 | C14 | C16 | 107.1° | 109.5° |
| C15 | C14 | H15 | 108.8° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C16 | C14 | H15 | 108.9° | 109.4° |
| C14 | C16 | H19 | 109.5° | 109.5° |
| C14 | C16 | H20 | 109.5° | 109.5° |
| C14 | C16 | H21 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H16 | C15 | H18 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 109.4° |
| H19 | C16 | H21 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| C17 | N3 | H22 | 119.2° | 120.0° |
| N3 | C17 | C18 | 108.2° | 109.5° |
| N3 | C17 | C19 | 105.5° | 109.5° |
| N3 | C17 | H23 | 110.7° | 109.5° |
| C17 | N3 | C13 | 121.6° | 120.0° |
| H22 | N3 | C13 | 119.2° | 120.0° |
| C18 | C17 | C19 | 112.5° | 109.5° |
| C18 | C17 | H23 | 110.1° | 109.4° |
| C17 | C18 | O5 | 121.5° | 119.9° |
| C17 | C18 | N5 | 116.4° | 120.0° |
| C19 | C17 | H23 | 109.8° | 109.5° |
| C17 | C19 | C20 | 109.4° | 109.5° |
| C17 | C19 | H24 | 109.5° | 109.5° |
| C17 | C19 | H25 | 109.5° | 109.5° |
| O5 | C18 | N5 | 122.0° | 120.1° |
| C20 | C19 | H24 | 109.5° | 109.4° |
| C20 | C19 | H25 | 109.5° | 109.5° |
| C19 | C20 | C21 | 111.8° | 109.5° |
| C19 | C20 | C22 | 111.4° | 109.5° |
| C19 | C20 | H26 | 107.6° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| C21 | C20 | C22 | 110.6° | 109.5° |
| C21 | C20 | H26 | 107.6° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.5° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C20 | C21 | H29 | 109.5° | 109.5° |
| C22 | C20 | H26 | 107.6° | 109.5° |
| C20 | C22 | H30 | 109.5° | 109.5° |
| C20 | C22 | H31 | 109.5° | 109.4° |
| C20 | C22 | H32 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | H32 | 109.4° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| O6 | C27 | N6 | 122.1° | 120.0° |
| O6 | C27 | C26 | 120.7° | 120.0° |
| N6 | C27 | C26 | 117.2° | 120.0° |
| C27 | N6 | H41 | 120.0° | 120.0° |
| C27 | N6 | H42 | 120.0° | 120.0° |
| C27 | C26 | C25 | 107.9° | 109.5° |
| C27 | C26 | H39 | 109.9° | 109.4° |
| C27 | C26 | H40 | 109.8° | 109.5° |
| C26 | C25 | C24 | 111.6° | 109.5° |
| C26 | C25 | H37 | 108.9° | 109.5° |
| C26 | C25 | H38 | 108.9° | 109.5° |
| C25 | C26 | H39 | 109.9° | 109.5° |
| C25 | C26 | H40 | 109.9° | 109.5° |
| C25 | C24 | N5 | 102.2° | 109.5° |
| C25 | C24 | C23 | 109.9° | 109.5° |
| C25 | C24 | H35 | 109.4° | 109.4° |
| C24 | C25 | H37 | 108.9° | 109.4° |
| C24 | C25 | H38 | 108.9° | 109.5° |
| N5 | C24 | C23 | 115.1° | 109.5° |
| N5 | C24 | H35 | 110.3° | 109.5° |
| C24 | N5 | H36 | 119.5° | 120.0° |
| C24 | N5 | C18 | 121.0° | 120.0° |
| C24 | C23 | N4 | 119.3° | 120.0° |
| C24 | C23 | H33 | 120.4° | 120.0° |
| C23 | C24 | H35 | 109.6° | 109.4° |
| N4 | C23 | H33 | 120.4° | 120.0° |
| C23 | N4 | H34 | 112.0° | 120.0° |
| H36 | N5 | C18 | 119.5° | 120.0° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| H41 | N6 | H42 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 179.9° | 179.7° |
| O1 | C1 | O2 | C2 | 1.3° | 0.0° |
| O1 | C1 | N1 | C9 | 179.9° | 0.1° |
| O1 | C1 | N1 | H8 | 0.1° | 179.9° |
| C1 | O2 | C2 | C3 | 160.2° | 180.0° |
| C1 | O2 | C2 | H1 | 79.6° | 60.0° |
| C1 | O2 | C2 | H2 | 39.9° | 60.0° |
| O2 | C1 | N1 | C9 | 0.0° | 179.7° |
| O2 | C1 | N1 | H8 | 180.0° | 0.2° |
| O2 | C2 | C3 | H1 | 120.2° | 120.0° |
| O2 | C2 | C3 | H2 | 120.3° | 120.0° |
| O2 | C2 | H1 | H2 | 119.3° | 120.0° |
| O2 | C2 | C3 | C4 | 179.7° | 90.0° |
| O2 | C2 | C3 | C8 | 0.4° | 90.3° |
| C2 | O2 | C1 | N1 | 178.6° | 179.8° |
| C3 | C2 | H1 | H2 | 119.2° | 120.0° |
| C2 | C3 | C4 | C8 | 179.9° | 179.7° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C4 | H3 | 0.2° | 0.0° |
| C2 | C3 | C8 | C7 | 180.0° | 179.8° |
| C2 | C3 | C8 | H7 | 0.0° | 0.0° |
| H1 | C2 | C3 | C4 | 59.5° | 30.0° |
| H1 | C2 | C3 | C8 | 120.6° | 149.7° |
| H2 | C2 | C3 | C4 | 60.0° | 149.9° |
| H2 | C2 | C3 | C8 | 119.9° | 29.8° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | C8 | C7 | 0.0° | 0.5° |
| C4 | C3 | C8 | H7 | 180.0° | 179.7° |
| C8 | C3 | C4 | C5 | 0.1° | 0.3° |
| C8 | C3 | C4 | H3 | 179.9° | 179.7° |
| C3 | C8 | C7 | C6 | 0.2° | 0.4° |
| C3 | C8 | C7 | H7 | 180.0° | 179.8° |
| C3 | C8 | C7 | H6 | 179.8° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | H5 | 179.8° | 179.9° |
| H3 | C4 | C5 | C6 | 180.0° | 180.0° |
| H3 | C4 | C5 | H4 | 0.0° | 0.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.2° |
| C5 | C6 | C7 | H6 | 179.7° | 180.0° |
| H4 | C5 | C6 | C7 | 179.8° | 180.0° |
| H4 | C5 | C6 | H5 | 0.2° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 179.8° |
| C6 | C7 | C8 | H7 | 179.8° | 179.8° |
| H5 | C6 | C7 | C8 | 179.7° | 179.8° |
| H5 | C6 | C7 | H6 | 0.3° | 0.0° |
| H6 | C7 | C8 | H7 | 0.2° | 0.0° |
| C9 | N1 | H8 | C1 | 180.0° | 179.9° |
| N1 | C9 | C10 | C11 | 124.2° | 120.0° |
| N1 | C9 | C10 | H9 | 119.7° | 120.0° |
| N1 | C9 | C11 | H9 | 117.2° | 119.9° |
| N1 | C9 | C10 | O3 | 27.1° | 0.0° |
| N1 | C9 | C11 | H10 | 180.0° | 180.0° |
| N1 | C9 | C11 | H11 | 60.0° | 60.0° |
| N1 | C9 | C11 | H12 | 60.0° | 60.1° |
| N1 | C9 | C10 | N2 | 153.0° | 180.0° |
| H8 | N1 | C9 | C10 | 111.7° | 24.9° |
| H8 | N1 | C9 | C11 | 12.2° | 95.1° |
| H8 | N1 | C9 | H9 | 128.9° | 144.9° |
| C10 | C9 | C11 | H9 | 116.2° | 120.0° |
| C9 | C10 | O3 | N2 | 179.9° | 179.9° |
| C10 | C9 | C11 | H10 | 53.4° | 60.0° |
| C10 | C9 | C11 | H11 | 173.4° | 180.0° |
| C10 | C9 | C11 | H12 | 66.5° | 60.0° |
| C9 | C10 | N2 | C12 | 178.7° | 180.0° |
| C9 | C10 | N2 | H13 | 1.3° | 0.0° |
| C10 | C9 | N1 | C1 | 68.2° | 154.9° |
| C11 | C9 | C10 | O3 | 97.1° | 119.9° |
| C9 | C11 | H10 | H11 | 120.0° | 120.0° |
| C9 | C11 | H10 | H12 | 120.0° | 120.0° |
| C9 | C11 | H11 | H12 | 120.0° | 120.0° |
| C11 | C9 | N1 | C1 | 167.8° | 85.0° |
| C11 | C9 | C10 | N2 | 82.7° | 60.0° |
| H9 | C9 | C10 | O3 | 146.8° | 120.0° |
| H9 | C9 | C11 | H10 | 62.8° | 60.0° |
| H9 | C9 | C11 | H11 | 57.2° | 59.9° |
| H9 | C9 | C11 | H12 | 177.2° | 180.0° |
| H9 | C9 | N1 | C1 | 51.1° | 34.9° |
| H9 | C9 | C10 | N2 | 33.4° | 60.0° |
| O3 | C10 | N2 | C12 | 1.2° | 0.1° |
| O3 | C10 | N2 | H13 | 178.8° | 180.0° |
| H10 | C11 | H11 | H12 | 120.0° | 120.0° |
| C12 | N2 | H13 | C10 | 180.0° | 180.0° |
| N2 | C12 | C13 | C14 | 119.7° | 120.0° |
| N2 | C12 | C13 | H14 | 121.0° | 120.0° |
| N2 | C12 | C14 | H14 | 121.8° | 120.0° |
| N2 | C12 | C13 | O4 | 70.0° | 19.9° |
| N2 | C12 | C14 | C15 | 155.7° | 61.8° |
| N2 | C12 | C14 | C16 | 84.5° | 178.2° |
| N2 | C12 | C14 | H15 | 35.8° | 58.3° |
| N2 | C12 | C13 | N3 | 109.3° | 160.1° |
| H13 | N2 | C12 | C13 | 51.2° | 25.0° |
| H13 | N2 | C12 | C14 | 67.0° | 95.0° |
| H13 | N2 | C12 | H14 | 171.8° | 145.0° |
| C13 | C12 | C14 | H14 | 119.5° | 120.0° |
| C12 | C13 | O4 | N3 | 179.2° | 180.0° |
| C13 | C12 | C14 | C15 | 37.1° | 58.2° |
| C13 | C12 | C14 | C16 | 156.8° | 61.8° |
| C13 | C12 | C14 | H15 | 82.8° | 178.2° |
| C12 | C13 | N3 | C17 | 179.2° | 175.1° |
| C12 | C13 | N3 | H22 | 0.8° | 5.0° |
| C13 | C12 | N2 | C10 | 128.8° | 155.0° |
| C14 | C12 | C13 | O4 | 49.7° | 100.1° |
| C12 | C14 | C15 | C16 | 122.5° | 120.0° |
| C12 | C14 | C15 | H15 | 119.9° | 120.1° |
| C12 | C14 | C16 | H15 | 120.3° | 120.0° |
| C12 | C14 | C15 | H16 | 180.0° | 60.0° |
| C12 | C14 | C15 | H17 | 60.0° | 180.0° |
| C12 | C14 | C15 | H18 | 60.0° | 60.0° |
| C12 | C14 | C16 | H19 | 180.0° | 53.2° |
| C12 | C14 | C16 | H20 | 60.0° | 173.2° |
| C12 | C14 | C16 | H21 | 60.0° | 66.8° |
| C14 | C12 | N2 | C10 | 113.0° | 85.0° |
| C14 | C12 | C13 | N3 | 131.0° | 80.0° |
| H14 | C12 | C13 | O4 | 169.0° | 139.9° |
| H14 | C12 | C14 | C15 | 82.5° | 178.2° |
| H14 | C12 | C14 | C16 | 37.3° | 58.2° |
| H14 | C12 | C14 | H15 | 157.6° | 61.8° |
| H14 | C12 | N2 | C10 | 8.2° | 35.1° |
| H14 | C12 | C13 | N3 | 11.7° | 40.1° |
| O4 | C13 | N3 | C17 | 1.6° | 4.9° |
| O4 | C13 | N3 | H22 | 178.4° | 175.0° |
| C15 | C14 | C16 | H15 | 117.5° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.1° |
| C14 | C15 | H16 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H18 | 120.0° | 120.0° |
| C15 | C14 | C16 | H19 | 57.7° | 173.2° |
| C15 | C14 | C16 | H20 | 62.3° | 66.8° |
| C15 | C14 | C16 | H21 | 177.8° | 53.2° |
| C16 | C14 | C15 | H16 | 57.5° | 60.0° |
| C16 | C14 | C15 | H17 | 177.5° | 60.0° |
| C16 | C14 | C15 | H18 | 62.5° | 180.0° |
| C14 | C16 | H19 | H20 | 120.0° | 120.0° |
| C14 | C16 | H19 | H21 | 120.0° | 120.0° |
| C14 | C16 | H20 | H21 | 120.0° | 120.1° |
| H15 | C14 | C15 | H16 | 60.1° | 179.9° |
| H15 | C14 | C15 | H17 | 59.9° | 59.9° |
| H15 | C14 | C15 | H18 | 179.9° | 60.0° |
| H15 | C14 | C16 | H19 | 59.8° | 66.8° |
| H15 | C14 | C16 | H20 | 179.8° | 53.2° |
| H15 | C14 | C16 | H21 | 60.3° | 173.2° |
| H16 | C15 | H17 | H18 | 120.0° | 119.9° |
| H19 | C16 | H20 | H21 | 120.0° | 119.9° |
| C17 | N3 | H22 | C13 | 180.0° | 179.9° |
| N3 | C17 | C18 | C19 | 116.1° | 120.0° |
| N3 | C17 | C18 | H23 | 121.1° | 120.0° |
| N3 | C17 | C19 | H23 | 119.3° | 120.0° |
| N3 | C17 | C18 | O5 | 61.5° | 22.8° |
| N3 | C17 | C19 | C20 | 66.9° | 179.4° |
| N3 | C17 | C19 | H24 | 53.1° | 59.5° |
| N3 | C17 | C19 | H25 | 173.2° | 60.5° |
| N3 | C17 | C18 | N5 | 116.6° | 157.2° |
| H22 | N3 | C17 | C18 | 120.7° | 28.2° |
| H22 | N3 | C17 | C19 | 0.1° | 91.8° |
| H22 | N3 | C17 | H23 | 118.5° | 148.2° |
| C18 | C17 | C19 | H23 | 123.0° | 120.0° |
| C17 | C18 | O5 | N5 | 178.0° | 179.9° |
| C18 | C17 | C19 | C20 | 175.5° | 60.5° |
| C18 | C17 | C19 | H24 | 64.6° | 179.5° |
| C18 | C17 | C19 | H25 | 55.5° | 59.5° |
| C17 | C18 | N5 | C24 | 178.4° | 175.8° |
| C17 | C18 | N5 | H36 | 1.6° | 4.2° |
| C18 | C17 | N3 | C13 | 59.3° | 151.7° |
| C19 | C17 | C18 | O5 | 54.6° | 97.2° |
| C17 | C19 | C20 | H24 | 120.0° | 120.0° |
| C17 | C19 | C20 | H25 | 120.0° | 120.0° |
| C17 | C19 | H24 | H25 | 120.0° | 120.0° |
| C17 | C19 | C20 | C21 | 178.4° | 64.7° |
| C17 | C19 | C20 | C22 | 54.2° | 175.3° |
| C17 | C19 | C20 | H26 | 63.5° | 55.3° |
| C19 | C17 | N3 | C13 | 179.9° | 88.3° |
| C19 | C17 | C18 | N5 | 127.3° | 82.8° |
| H23 | C17 | C18 | O5 | 177.4° | 142.9° |
| H23 | C17 | C19 | C20 | 52.5° | 59.4° |
| H23 | C17 | C19 | H24 | 172.5° | 60.5° |
| H23 | C17 | C19 | H25 | 67.5° | 179.4° |
| H23 | C17 | N3 | C13 | 61.5° | 31.7° |
| H23 | C17 | C18 | N5 | 4.5° | 37.2° |
| O5 | C18 | N5 | C24 | 0.2° | 4.3° |
| O5 | C18 | N5 | H36 | 179.8° | 175.7° |
| C20 | C19 | H24 | H25 | 120.1° | 120.0° |
| C19 | C20 | C21 | C22 | 124.7° | 120.0° |
| C19 | C20 | C21 | H26 | 118.0° | 120.0° |
| C19 | C20 | C22 | H26 | 117.8° | 120.0° |
| C19 | C20 | C21 | H27 | 180.0° | 63.8° |
| C19 | C20 | C21 | H28 | 60.0° | 176.1° |
| C19 | C20 | C21 | H29 | 60.0° | 56.2° |
| C19 | C20 | C22 | H30 | 180.0° | 60.0° |
| C19 | C20 | C22 | H31 | 60.0° | 180.0° |
| C19 | C20 | C22 | H32 | 60.0° | 60.0° |
| H24 | C19 | C20 | C21 | 61.6° | 55.3° |
| H24 | C19 | C20 | C22 | 174.2° | 64.7° |
| H24 | C19 | C20 | H26 | 56.4° | 175.3° |
| H25 | C19 | C20 | C21 | 58.5° | 175.3° |
| H25 | C19 | C20 | C22 | 65.8° | 55.3° |
| H25 | C19 | C20 | H26 | 176.5° | 64.8° |
| C21 | C20 | C22 | H26 | 117.3° | 120.0° |
| C20 | C21 | H27 | H28 | 120.0° | 120.0° |
| C20 | C21 | H27 | H29 | 120.0° | 120.0° |
| C20 | C21 | H28 | H29 | 120.0° | 120.0° |
| C21 | C20 | C22 | H30 | 55.1° | 180.0° |
| C21 | C20 | C22 | H31 | 64.9° | 60.0° |
| C21 | C20 | C22 | H32 | 175.1° | 60.0° |
| C22 | C20 | C21 | H27 | 55.3° | 56.2° |
| C22 | C20 | C21 | H28 | 175.3° | 63.8° |
| C22 | C20 | C21 | H29 | 64.7° | 176.2° |
| C20 | C22 | H30 | H31 | 120.0° | 119.9° |
| C20 | C22 | H30 | H32 | 120.0° | 120.0° |
| C20 | C22 | H31 | H32 | 120.0° | 120.0° |
| H26 | C20 | C21 | H27 | 62.0° | 176.2° |
| H26 | C20 | C21 | H28 | 58.0° | 56.2° |
| H26 | C20 | C21 | H29 | 178.0° | 63.8° |
| H26 | C20 | C22 | H30 | 62.2° | 60.0° |
| H26 | C20 | C22 | H31 | 177.8° | 60.0° |
| H26 | C20 | C22 | H32 | 57.8° | 180.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
| H30 | C22 | H31 | H32 | 120.0° | 120.0° |
| O6 | C27 | N6 | C26 | 178.9° | 180.0° |
| O6 | C27 | C26 | C25 | 56.4° | 0.0° |
| O6 | C27 | C26 | H39 | 176.2° | 120.0° |
| O6 | C27 | C26 | H40 | 63.3° | 120.0° |
| O6 | C27 | N6 | H41 | 0.0° | 180.0° |
| O6 | C27 | N6 | H42 | 180.0° | 0.0° |
| N6 | C27 | C26 | C25 | 122.5° | 180.0° |
| N6 | C27 | C26 | H39 | 2.7° | 60.0° |
| N6 | C27 | C26 | H40 | 117.8° | 60.0° |
| C27 | N6 | H41 | H42 | 180.0° | 180.0° |
| C27 | C26 | C25 | H39 | 119.8° | 120.0° |
| C27 | C26 | C25 | H40 | 119.7° | 120.0° |
| C27 | C26 | C25 | C24 | 161.8° | 180.0° |
| C27 | C26 | C25 | H37 | 77.9° | 60.1° |
| C27 | C26 | C25 | H38 | 41.5° | 60.0° |
| C27 | C26 | H39 | H40 | 120.7° | 120.0° |
| C26 | C27 | N6 | H41 | 178.8° | 0.0° |
| C26 | C27 | N6 | H42 | 1.1° | 180.0° |
| C26 | C25 | C24 | H37 | 120.3° | 120.0° |
| C26 | C25 | C24 | H38 | 120.3° | 120.0° |
| C26 | C25 | C24 | N5 | 153.0° | 65.0° |
| C26 | C25 | C24 | C23 | 84.3° | 175.0° |
| C26 | C25 | C24 | H35 | 36.2° | 55.0° |
| C26 | C25 | H37 | H38 | 119.0° | 120.1° |
| C25 | C26 | H39 | H40 | 120.7° | 120.0° |
| C25 | C24 | N5 | C23 | 119.1° | 120.1° |
| C25 | C24 | N5 | H35 | 116.3° | 120.0° |
| C25 | C24 | C23 | H35 | 120.3° | 119.9° |
| C25 | C24 | C23 | N4 | 99.3° | 120.0° |
| C25 | C24 | C23 | H33 | 80.7° | 59.9° |
| C25 | C24 | N5 | H36 | 52.3° | 25.0° |
| C24 | C25 | H37 | H38 | 119.0° | 119.9° |
| C24 | C25 | C26 | H39 | 42.1° | 60.0° |
| C24 | C25 | C26 | H40 | 78.4° | 60.0° |
| C25 | C24 | N5 | C18 | 127.7° | 155.0° |
| N5 | C24 | C23 | H35 | 125.0° | 120.0° |
| N5 | C24 | C23 | N4 | 146.0° | 0.1° |
| N5 | C24 | C23 | H33 | 34.0° | 180.0° |
| C24 | N5 | H36 | C18 | 180.0° | 180.0° |
| N5 | C24 | C25 | H37 | 86.6° | 55.0° |
| N5 | C24 | C25 | H38 | 32.7° | 175.0° |
| C24 | C23 | N4 | H33 | 180.0° | 179.9° |
| C24 | C23 | N4 | H34 | 180.0° | 180.0° |
| C23 | C24 | N5 | H36 | 66.8° | 95.1° |
| C23 | C24 | C25 | H37 | 36.1° | 65.0° |
| C23 | C24 | C25 | H38 | 155.4° | 54.9° |
| C23 | C24 | N5 | C18 | 113.2° | 85.0° |
| N4 | C23 | C24 | H35 | 21.0° | 120.1° |
| H33 | C23 | N4 | H34 | 0.0° | 0.1° |
| H33 | C23 | C24 | H35 | 159.0° | 60.0° |
| H35 | C24 | N5 | H36 | 168.6° | 145.0° |
| H35 | C24 | C25 | H37 | 156.5° | 175.0° |
| H35 | C24 | C25 | H38 | 84.1° | 65.0° |
| H35 | C24 | N5 | C18 | 11.4° | 35.0° |
| H37 | C25 | C26 | H39 | 162.4° | 179.9° |
| H37 | C25 | C26 | H40 | 41.9° | 59.9° |
| H38 | C25 | C26 | H39 | 78.3° | 60.0° |
| H38 | C25 | C26 | H40 | 161.2° | 180.0° |
