PRD_002469
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.45Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.45Å | |
| C5 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | C14 | sing | 1.46Å | 1.45Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C22 | sing | 1.53Å | 1.53Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| 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 | 1.52Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| 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 | |
| O5 | C30 | doub | 1.22Å | 1.23Å | |
| C30 | N4 | sing | 1.35Å | 1.35Å | |
| C30 | C26 | sing | 1.41Å | 1.48Å | |
| C24 | C26 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| N4 | C29 | sing | 1.36Å | 1.34Å | |
| C26 | C27 | doub | 1.36Å | 1.38Å | |
| O6 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| C29 | C28 | doub | 1.35Å | 1.39Å | |
| C27 | C28 | sing | 1.40Å | 1.40Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| N3 | H40 | sing | 0.97Å | 1.00Å | |
| O6 | H41 | sing | 0.97Å | 0.95Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| C5 | N1 | sing | 1.35Å | 1.33Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.9° | 109.5° |
| C1 | O1 | C5 | 119.3° | 117.0° |
| O1 | C1 | H1 | 108.9° | 109.4° |
| O1 | C1 | H2 | 108.9° | 109.4° |
| C1 | C2 | C8 | 120.0° | 120.0° |
| C1 | C2 | C6 | 121.0° | 120.0° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C2 | C1 | H2 | 108.8° | 109.5° |
| C8 | C2 | C6 | 119.0° | 120.0° |
| C2 | C8 | C4 | 120.2° | 120.0° |
| C2 | C8 | H7 | 119.9° | 120.0° |
| C2 | C6 | C3 | 120.8° | 120.0° |
| C2 | C6 | H5 | 119.6° | 120.0° |
| C7 | C3 | C6 | 119.9° | 120.1° |
| C3 | C7 | C4 | 119.7° | 119.9° |
| C7 | C3 | H3 | 120.1° | 119.9° |
| C3 | C7 | H6 | 120.1° | 120.0° |
| C6 | C3 | H3 | 120.1° | 120.0° |
| C3 | C6 | H5 | 119.6° | 120.0° |
| C8 | C4 | C7 | 120.5° | 120.0° |
| C8 | C4 | H4 | 119.8° | 120.0° |
| C4 | C8 | H7 | 119.9° | 120.1° |
| C7 | C4 | H4 | 119.7° | 120.0° |
| C4 | C7 | H6 | 120.2° | 120.0° |
| O1 | C5 | O2 | 118.7° | 119.9° |
| O1 | C5 | N1 | 118.7° | 120.0° |
| O2 | C5 | N1 | 122.6° | 120.1° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| C9 | N1 | H8 | 119.2° | 120.0° |
| N1 | C9 | C10 | 108.0° | 109.4° |
| N1 | C9 | C11 | 109.5° | 109.5° |
| N1 | C9 | H9 | 109.8° | 109.5° |
| C9 | N1 | C5 | 121.7° | 120.0° |
| H8 | N1 | C5 | 119.2° | 120.0° |
| C10 | C9 | C11 | 111.8° | 109.5° |
| C10 | C9 | H9 | 109.0° | 109.4° |
| C9 | C10 | O3 | 120.1° | 120.0° |
| C9 | C10 | N2 | 117.2° | 120.0° |
| C11 | C9 | H9 | 108.7° | 109.5° |
| C9 | C11 | C12 | 112.0° | 109.5° |
| C9 | C11 | C13 | 110.7° | 109.5° |
| C9 | C11 | H10 | 107.8° | 109.4° |
| O3 | C10 | N2 | 122.7° | 120.0° |
| C12 | C11 | C13 | 110.4° | 109.5° |
| C12 | C11 | H10 | 107.9° | 109.5° |
| C11 | C12 | H11 | 109.5° | 109.4° |
| C11 | C12 | H12 | 109.4° | 109.4° |
| C11 | C12 | H13 | 109.4° | 109.5° |
| C13 | C11 | H10 | 107.9° | 109.4° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| C11 | C13 | H15 | 109.5° | 109.5° |
| C11 | C13 | H16 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| C14 | N2 | H17 | 119.1° | 120.0° |
| N2 | C14 | C15 | 110.4° | 109.5° |
| N2 | C14 | C16 | 108.3° | 109.5° |
| N2 | C14 | H18 | 110.4° | 109.5° |
| C14 | N2 | C10 | 121.9° | 120.0° |
| H17 | N2 | C10 | 119.0° | 120.0° |
| C15 | C14 | C16 | 108.8° | 109.5° |
| C15 | C14 | H18 | 109.6° | 109.4° |
| C14 | C15 | O4 | 120.5° | 120.0° |
| C14 | C15 | N3 | 117.1° | 120.0° |
| C16 | C14 | H18 | 109.3° | 109.5° |
| C14 | C16 | C17 | 114.5° | 109.5° |
| C14 | C16 | H19 | 108.2° | 109.5° |
| C14 | C16 | H20 | 108.2° | 109.5° |
| O4 | C15 | N3 | 122.4° | 120.0° |
| C17 | C16 | H19 | 108.2° | 109.5° |
| C17 | C16 | H20 | 108.2° | 109.4° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C16 | C17 | C22 | 108.3° | 109.5° |
| C16 | C17 | H21 | 107.9° | 109.4° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| C18 | C17 | C22 | 111.8° | 109.5° |
| C18 | C17 | H21 | 108.0° | 109.5° |
| C17 | C18 | C19 | 113.4° | 109.5° |
| C17 | C18 | H22 | 108.4° | 109.4° |
| C17 | C18 | H23 | 108.5° | 109.4° |
| C22 | C17 | H21 | 108.0° | 109.4° |
| C17 | C22 | C21 | 114.3° | 109.5° |
| C17 | C22 | H30 | 108.3° | 109.4° |
| C17 | C22 | H31 | 108.3° | 109.5° |
| C19 | C18 | H22 | 108.5° | 109.5° |
| C19 | C18 | H23 | 108.5° | 109.5° |
| C18 | C19 | C20 | 113.4° | 109.5° |
| C18 | C19 | H24 | 108.5° | 109.4° |
| C18 | C19 | H25 | 108.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| C20 | C19 | H24 | 108.5° | 109.5° |
| C20 | C19 | H25 | 108.5° | 109.5° |
| C19 | C20 | C21 | 111.8° | 109.5° |
| C19 | C20 | H26 | 108.9° | 109.5° |
| C19 | C20 | H27 | 108.9° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| C21 | C20 | H26 | 108.9° | 109.5° |
| C21 | C20 | H27 | 108.9° | 109.5° |
| C20 | C21 | C22 | 110.3° | 109.5° |
| C20 | C21 | H28 | 109.2° | 109.4° |
| C20 | C21 | H29 | 109.3° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.4° |
| C22 | C21 | H28 | 109.3° | 109.4° |
| C22 | C21 | H29 | 109.3° | 109.5° |
| C21 | C22 | H30 | 108.2° | 109.4° |
| C21 | C22 | H31 | 108.2° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.4° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| O5 | C30 | N4 | 121.3° | 120.0° |
| O5 | C30 | C26 | 118.2° | 120.0° |
| N4 | C30 | C26 | 120.5° | 120.0° |
| C30 | N4 | C29 | 120.9° | 120.7° |
| C30 | N4 | H42 | 119.5° | 119.7° |
| C30 | C26 | C24 | 118.4° | 120.4° |
| C30 | C26 | C27 | 117.2° | 119.2° |
| C26 | C24 | C23 | 112.1° | 109.4° |
| C24 | C26 | C27 | 124.4° | 120.4° |
| C26 | C24 | H33 | 108.8° | 109.5° |
| C26 | C24 | H34 | 108.8° | 109.5° |
| C24 | C23 | C25 | 111.2° | 109.5° |
| C24 | C23 | N3 | 106.7° | 109.4° |
| C24 | C23 | H32 | 109.8° | 109.5° |
| C23 | C24 | H33 | 108.8° | 109.5° |
| C23 | C24 | H34 | 108.8° | 109.5° |
| N4 | C29 | C28 | 120.9° | 120.7° |
| N4 | C29 | H39 | 119.5° | 119.6° |
| C29 | N4 | H42 | 119.6° | 119.6° |
| C26 | C27 | C28 | 119.5° | 119.3° |
| C26 | C27 | H37 | 120.2° | 120.3° |
| O6 | C25 | C23 | 114.9° | 109.5° |
| O6 | C25 | H35 | 108.1° | 109.5° |
| O6 | C25 | H36 | 108.1° | 109.5° |
| C25 | O6 | H41 | 109.5° | 114.0° |
| C25 | C23 | N3 | 108.6° | 109.4° |
| C25 | C23 | H32 | 109.7° | 109.5° |
| C23 | C25 | H35 | 108.1° | 109.5° |
| C23 | C25 | H36 | 108.1° | 109.4° |
| N3 | C23 | H32 | 110.8° | 109.5° |
| C23 | N3 | H40 | 119.3° | 120.0° |
| C23 | N3 | C15 | 121.4° | 120.0° |
| C29 | C28 | C27 | 121.0° | 119.9° |
| C29 | C28 | H38 | 119.5° | 120.1° |
| C28 | C29 | H39 | 119.6° | 119.6° |
| C28 | C27 | H37 | 120.3° | 120.4° |
| C27 | C28 | H38 | 119.5° | 120.0° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H40 | N3 | C15 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.4° | 120.0° |
| O1 | C1 | C2 | H2 | 120.4° | 120.0° |
| O1 | C1 | C2 | C8 | 90.1° | 90.1° |
| O1 | C1 | C2 | C6 | 91.2° | 89.7° |
| C1 | O1 | C5 | O2 | 15.5° | 0.1° |
| O1 | C1 | H1 | H2 | 118.9° | 119.9° |
| C1 | O1 | C5 | N1 | 164.0° | 180.0° |
| C1 | C2 | C8 | C6 | 178.7° | 179.8° |
| C1 | C2 | C6 | C3 | 179.9° | 180.0° |
| C1 | C2 | C8 | C4 | 179.4° | 180.0° |
| C2 | C1 | O1 | C5 | 65.4° | 180.0° |
| C2 | C1 | H1 | H2 | 118.9° | 120.1° |
| C1 | C2 | C6 | H5 | 0.1° | 0.0° |
| C1 | C2 | C8 | H7 | 0.6° | 0.1° |
| C8 | C2 | C6 | C3 | 1.2° | 0.3° |
| C2 | C8 | C4 | H7 | 180.0° | 180.0° |
| C2 | C8 | C4 | C7 | 0.2° | 0.0° |
| C8 | C2 | C1 | H1 | 149.5° | 150.0° |
| C8 | C2 | C1 | H2 | 30.3° | 30.0° |
| C2 | C8 | C4 | H4 | 179.8° | 179.9° |
| C8 | C2 | C6 | H5 | 178.8° | 179.8° |
| C2 | C6 | C3 | C7 | 0.9° | 0.0° |
| C2 | C6 | C3 | H5 | 180.0° | 179.9° |
| C6 | C2 | C8 | C4 | 0.7° | 0.3° |
| C6 | C2 | C1 | H1 | 29.2° | 30.2° |
| C6 | C2 | C1 | H2 | 148.4° | 150.3° |
| C2 | C6 | C3 | H3 | 179.1° | 179.8° |
| C6 | C2 | C8 | H7 | 179.3° | 179.7° |
| C7 | C3 | C6 | H3 | 180.0° | 179.8° |
| C3 | C7 | C4 | C8 | 0.5° | 0.2° |
| C3 | C7 | C4 | H6 | 180.0° | 179.8° |
| C3 | C7 | C4 | H4 | 179.5° | 179.7° |
| C7 | C3 | C6 | H5 | 179.1° | 180.0° |
| C6 | C3 | C7 | C4 | 0.0° | 0.2° |
| C6 | C3 | C7 | H6 | 180.0° | 180.0° |
| C8 | C4 | C7 | H4 | 180.0° | 179.9° |
| C8 | C4 | C7 | H6 | 179.5° | 180.0° |
| C4 | C7 | C3 | H3 | 180.0° | 180.0° |
| C7 | C4 | C8 | H7 | 179.8° | 179.9° |
| O1 | C5 | O2 | N1 | 179.5° | 179.9° |
| C5 | O1 | C1 | H1 | 55.0° | 60.0° |
| C5 | O1 | C1 | H2 | 174.2° | 59.9° |
| O1 | C5 | N1 | C9 | 177.6° | 180.0° |
| O1 | C5 | N1 | H8 | 2.4° | 0.1° |
| O2 | C5 | N1 | C9 | 2.9° | 0.1° |
| O2 | C5 | N1 | H8 | 177.1° | 180.0° |
| H3 | C3 | C6 | H5 | 0.9° | 0.2° |
| H3 | C3 | C7 | H6 | 0.0° | 0.2° |
| H4 | C4 | C7 | H6 | 0.6° | 0.1° |
| H4 | C4 | C8 | H7 | 0.2° | 0.0° |
| C9 | N1 | H8 | C5 | 180.0° | 179.9° |
| N1 | C9 | C10 | C11 | 120.6° | 120.0° |
| N1 | C9 | C10 | H9 | 119.2° | 119.9° |
| N1 | C9 | C11 | H9 | 120.0° | 120.0° |
| N1 | C9 | C10 | O3 | 53.3° | 0.1° |
| N1 | C9 | C11 | C12 | 159.7° | 60.0° |
| N1 | C9 | C11 | C13 | 76.6° | 60.0° |
| N1 | C9 | C11 | H10 | 41.2° | 180.0° |
| N1 | C9 | C10 | N2 | 126.2° | 180.0° |
| H8 | N1 | C9 | C10 | 73.6° | 25.1° |
| H8 | N1 | C9 | C11 | 48.3° | 94.9° |
| H8 | N1 | C9 | H9 | 167.6° | 145.0° |
| C10 | C9 | C11 | H9 | 120.4° | 120.0° |
| C9 | C10 | O3 | N2 | 179.4° | 179.9° |
| C10 | C9 | C11 | C12 | 40.1° | 180.0° |
| C10 | C9 | C11 | C13 | 163.7° | 60.0° |
| C10 | C9 | C11 | H10 | 78.5° | 60.0° |
| C9 | C10 | N2 | C14 | 179.2° | 180.0° |
| C9 | C10 | N2 | H17 | 0.8° | 0.0° |
| C10 | C9 | N1 | C5 | 106.4° | 155.0° |
| C11 | C9 | C10 | O3 | 67.3° | 120.0° |
| C9 | C11 | C12 | C13 | 123.9° | 120.0° |
| C9 | C11 | C12 | H10 | 118.5° | 120.0° |
| C9 | C11 | C13 | H10 | 117.7° | 120.0° |
| C9 | C11 | C12 | H11 | 180.0° | 60.0° |
| C9 | C11 | C12 | H12 | 60.0° | 180.0° |
| C9 | C11 | C12 | H13 | 60.0° | 60.0° |
| C9 | C11 | C13 | H14 | 180.0° | 60.0° |
| C9 | C11 | C13 | H15 | 60.0° | 180.0° |
| C9 | C11 | C13 | H16 | 60.0° | 60.0° |
| C11 | C9 | N1 | C5 | 131.6° | 85.0° |
| C11 | C9 | C10 | N2 | 113.3° | 60.0° |
| H9 | C9 | C10 | O3 | 172.5° | 120.0° |
| H9 | C9 | C11 | C12 | 80.3° | 60.0° |
| H9 | C9 | C11 | C13 | 43.4° | 180.0° |
| H9 | C9 | C11 | H10 | 161.2° | 60.0° |
| H9 | C9 | N1 | C5 | 12.3° | 35.1° |
| H9 | C9 | C10 | N2 | 6.9° | 60.0° |
| O3 | C10 | N2 | C14 | 1.4° | 0.0° |
| O3 | C10 | N2 | H17 | 178.6° | 180.0° |
| C12 | C11 | C13 | H10 | 117.7° | 120.0° |
| C11 | C12 | H11 | H12 | 120.0° | 119.9° |
| C11 | C12 | H11 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C12 | C11 | C13 | H14 | 55.4° | 180.0° |
| C12 | C11 | C13 | H15 | 64.6° | 59.9° |
| C12 | C11 | C13 | H16 | 175.4° | 60.0° |
| C13 | C11 | C12 | H11 | 56.1° | 60.0° |
| C13 | C11 | C12 | H12 | 176.1° | 59.9° |
| C13 | C11 | C12 | H13 | 63.9° | 180.0° |
| C11 | C13 | H14 | H15 | 120.0° | 120.0° |
| C11 | C13 | H14 | H16 | 120.0° | 120.0° |
| C11 | C13 | H15 | H16 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 61.5° | 180.0° |
| H10 | C11 | C12 | H12 | 58.5° | 60.1° |
| H10 | C11 | C12 | H13 | 178.5° | 60.0° |
| H10 | C11 | C13 | H14 | 62.3° | 59.9° |
| H10 | C11 | C13 | H15 | 177.7° | 60.1° |
| H10 | C11 | C13 | H16 | 57.8° | 180.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
| C14 | N2 | H17 | C10 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 118.7° | 120.0° |
| N2 | C14 | C15 | H18 | 121.8° | 120.0° |
| N2 | C14 | C16 | H18 | 120.3° | 120.0° |
| N2 | C14 | C15 | O4 | 53.0° | 0.0° |
| N2 | C14 | C16 | C17 | 96.6° | 65.0° |
| N2 | C14 | C16 | H19 | 24.1° | 55.0° |
| N2 | C14 | C16 | H20 | 142.6° | 175.0° |
| N2 | C14 | C15 | N3 | 126.2° | 180.0° |
| H17 | N2 | C14 | C15 | 111.9° | 25.0° |
| H17 | N2 | C14 | C16 | 7.1° | 95.0° |
| H17 | N2 | C14 | H18 | 126.7° | 145.0° |
| C15 | C14 | C16 | H18 | 119.7° | 120.0° |
| C14 | C15 | O4 | N3 | 179.2° | 180.0° |
| C15 | C14 | C16 | C17 | 143.4° | 175.0° |
| C15 | C14 | C16 | H19 | 95.9° | 65.0° |
| C15 | C14 | C16 | H20 | 22.6° | 55.0° |
| C14 | C15 | N3 | C23 | 171.6° | 180.0° |
| C14 | C15 | N3 | H40 | 8.4° | 0.0° |
| C15 | C14 | N2 | C10 | 68.0° | 155.0° |
| C16 | C14 | C15 | O4 | 65.7° | 120.0° |
| C14 | C16 | C17 | H19 | 120.7° | 120.0° |
| C14 | C16 | C17 | H20 | 120.8° | 120.0° |
| C14 | C16 | H19 | H20 | 117.7° | 120.0° |
| C14 | C16 | C17 | C18 | 43.8° | 175.0° |
| C14 | C16 | C17 | C22 | 168.0° | 65.0° |
| C14 | C16 | C17 | H21 | 75.4° | 55.0° |
| C16 | C14 | N2 | C10 | 173.0° | 85.0° |
| C16 | C14 | C15 | N3 | 115.0° | 60.0° |
| H18 | C14 | C15 | O4 | 174.8° | 120.0° |
| H18 | C14 | C16 | C17 | 23.7° | 55.0° |
| H18 | C14 | C16 | H19 | 144.4° | 175.0° |
| H18 | C14 | C16 | H20 | 97.1° | 65.0° |
| H18 | C14 | N2 | C10 | 53.3° | 35.0° |
| H18 | C14 | C15 | N3 | 4.5° | 60.0° |
| O4 | C15 | N3 | C23 | 9.1° | 0.0° |
| O4 | C15 | N3 | H40 | 170.9° | 180.0° |
| C17 | C16 | H19 | H20 | 117.7° | 120.0° |
| C16 | C17 | C18 | C22 | 122.2° | 120.1° |
| C16 | C17 | C18 | H21 | 119.1° | 119.9° |
| C16 | C17 | C22 | H21 | 116.6° | 120.0° |
| C16 | C17 | C18 | C19 | 177.4° | 180.0° |
| C16 | C17 | C18 | H22 | 62.0° | 60.0° |
| C16 | C17 | C18 | H23 | 56.8° | 60.0° |
| C16 | C17 | C22 | C21 | 140.3° | 180.0° |
| C16 | C17 | C22 | H30 | 19.6° | 60.0° |
| C16 | C17 | C22 | H31 | 99.0° | 60.0° |
| H19 | C16 | C17 | C18 | 76.9° | 55.0° |
| H19 | C16 | C17 | C22 | 47.2° | 175.0° |
| H19 | C16 | C17 | H21 | 163.9° | 65.0° |
| H20 | C16 | C17 | C18 | 164.5° | 65.1° |
| H20 | C16 | C17 | C22 | 71.3° | 55.0° |
| H20 | C16 | C17 | H21 | 45.4° | 175.0° |
| C18 | C17 | C22 | H21 | 118.7° | 120.0° |
| C17 | C18 | C19 | H22 | 120.6° | 120.0° |
| C17 | C18 | C19 | H23 | 120.6° | 120.0° |
| C17 | C18 | H22 | H23 | 118.2° | 120.0° |
| C17 | C18 | C19 | C20 | 34.8° | 60.0° |
| C17 | C18 | C19 | H24 | 85.7° | 60.0° |
| C17 | C18 | C19 | H25 | 155.4° | 180.0° |
| C18 | C17 | C22 | C21 | 15.5° | 59.9° |
| C18 | C17 | C22 | H30 | 105.2° | 60.0° |
| C18 | C17 | C22 | H31 | 136.3° | 180.0° |
| C22 | C17 | C18 | C19 | 55.2° | 59.9° |
| C22 | C17 | C18 | H22 | 175.7° | 179.9° |
| C22 | C17 | C18 | H23 | 65.4° | 60.1° |
| C17 | C22 | C21 | C20 | 41.2° | 59.9° |
| C17 | C22 | C21 | H30 | 120.7° | 119.9° |
| C17 | C22 | C21 | H31 | 120.7° | 120.0° |
| C17 | C22 | C21 | H28 | 161.3° | 60.0° |
| C17 | C22 | C21 | H29 | 79.0° | 180.0° |
| C17 | C22 | H30 | H31 | 117.8° | 120.0° |
| H21 | C17 | C18 | C19 | 63.5° | 60.0° |
| H21 | C17 | C18 | H22 | 57.1° | 60.0° |
| H21 | C17 | C18 | H23 | 175.9° | 180.0° |
| H21 | C17 | C22 | C21 | 103.1° | 60.1° |
| H21 | C17 | C22 | H30 | 136.2° | 180.0° |
| H21 | C17 | C22 | H31 | 17.6° | 60.0° |
| C19 | C18 | H22 | H23 | 118.2° | 120.0° |
| C18 | C19 | C20 | H24 | 120.6° | 120.0° |
| C18 | C19 | C20 | H25 | 120.6° | 120.0° |
| C18 | C19 | H24 | H25 | 118.2° | 119.9° |
| C18 | C19 | C20 | C21 | 23.0° | 60.0° |
| C18 | C19 | C20 | H26 | 97.4° | 180.0° |
| C18 | C19 | C20 | H27 | 143.4° | 60.0° |
| H22 | C18 | C19 | C20 | 155.4° | 179.9° |
| H22 | C18 | C19 | H24 | 34.8° | 59.9° |
| H22 | C18 | C19 | H25 | 84.0° | 60.0° |
| H23 | C18 | C19 | C20 | 85.8° | 60.0° |
| H23 | C18 | C19 | H24 | 153.7° | 180.0° |
| H23 | C18 | C19 | H25 | 34.8° | 60.1° |
| C20 | C19 | H24 | H25 | 118.2° | 120.1° |
| C19 | C20 | C21 | H26 | 120.4° | 120.0° |
| C19 | C20 | C21 | H27 | 120.3° | 120.0° |
| C19 | C20 | H26 | H27 | 118.9° | 119.9° |
| C19 | C20 | C21 | C22 | 62.1° | 59.9° |
| C19 | C20 | C21 | H28 | 177.8° | 60.0° |
| C19 | C20 | C21 | H29 | 58.1° | 180.0° |
| H24 | C19 | C20 | C21 | 143.6° | 60.0° |
| H24 | C19 | C20 | H26 | 23.2° | 60.1° |
| H24 | C19 | C20 | H27 | 96.1° | 180.0° |
| H25 | C19 | C20 | C21 | 97.6° | 180.0° |
| H25 | C19 | C20 | H26 | 142.1° | 60.0° |
| H25 | C19 | C20 | H27 | 22.8° | 60.0° |
| C21 | C20 | H26 | H27 | 118.9° | 120.0° |
| C20 | C21 | C22 | H28 | 120.1° | 119.9° |
| C20 | C21 | C22 | H29 | 120.2° | 120.1° |
| C20 | C21 | H28 | H29 | 119.6° | 120.0° |
| C20 | C21 | C22 | H30 | 161.9° | 60.0° |
| C20 | C21 | C22 | H31 | 79.5° | 180.0° |
| H26 | C20 | C21 | C22 | 58.3° | 180.0° |
| H26 | C20 | C21 | H28 | 61.9° | 60.0° |
| H26 | C20 | C21 | H29 | 178.5° | 59.9° |
| H27 | C20 | C21 | C22 | 177.6° | 60.1° |
| H27 | C20 | C21 | H28 | 57.4° | 180.0° |
| H27 | C20 | C21 | H29 | 62.2° | 60.0° |
| C22 | C21 | H28 | H29 | 119.6° | 120.0° |
| C21 | C22 | H30 | H31 | 117.8° | 120.0° |
| H28 | C21 | C22 | H30 | 77.9° | 180.0° |
| H28 | C21 | C22 | H31 | 40.6° | 60.0° |
| H29 | C21 | C22 | H30 | 41.8° | 60.1° |
| H29 | C21 | C22 | H31 | 160.3° | 60.0° |
| O5 | C30 | N4 | C26 | 179.0° | 179.5° |
| O5 | C30 | C26 | C24 | 1.7° | 0.3° |
| O5 | C30 | N4 | C29 | 178.9° | 180.0° |
| O5 | C30 | C26 | C27 | 178.9° | 180.0° |
| O5 | C30 | N4 | H42 | 1.1° | 0.5° |
| N4 | C30 | C26 | C24 | 179.3° | 179.8° |
| C30 | N4 | C29 | H42 | 180.0° | 179.5° |
| N4 | C30 | C26 | C27 | 0.2° | 0.5° |
| C30 | N4 | C29 | C28 | 0.1° | 0.2° |
| C30 | N4 | C29 | H39 | 179.9° | 179.7° |
| C30 | C26 | C24 | C27 | 179.4° | 179.7° |
| C30 | C26 | C24 | C23 | 175.5° | 85.3° |
| C26 | C30 | N4 | C29 | 0.1° | 0.5° |
| C30 | C26 | C27 | C28 | 0.0° | 0.2° |
| C30 | C26 | C24 | H33 | 64.1° | 154.7° |
| C30 | C26 | C24 | H34 | 55.2° | 34.7° |
| C30 | C26 | C27 | H37 | 180.0° | 179.8° |
| C26 | C30 | N4 | H42 | 179.9° | 180.0° |
| C26 | C24 | C23 | H33 | 120.4° | 120.0° |
| C26 | C24 | C23 | H34 | 120.4° | 120.0° |
| C26 | C24 | C23 | C25 | 153.8° | 175.0° |
| C26 | C24 | C23 | N3 | 87.9° | 65.0° |
| C24 | C26 | C27 | C28 | 179.4° | 179.9° |
| C26 | C24 | C23 | H32 | 32.2° | 55.0° |
| C26 | C24 | H33 | H34 | 118.8° | 120.0° |
| C24 | C26 | C27 | H37 | 0.6° | 0.0° |
| C23 | C24 | C26 | C27 | 5.1° | 95.0° |
| C24 | C23 | C25 | O6 | 65.5° | 55.0° |
| C24 | C23 | C25 | N3 | 117.1° | 119.9° |
| C24 | C23 | C25 | H32 | 121.7° | 120.0° |
| C24 | C23 | N3 | H32 | 119.5° | 120.0° |
| C23 | C24 | H33 | H34 | 118.8° | 120.0° |
| C24 | C23 | C25 | H35 | 173.8° | 175.0° |
| C24 | C23 | C25 | H36 | 55.3° | 65.0° |
| C24 | C23 | N3 | H40 | 52.1° | 25.0° |
| C24 | C23 | N3 | C15 | 127.9° | 155.1° |
| N4 | C29 | C28 | H39 | 180.0° | 179.9° |
| N4 | C29 | C28 | C27 | 0.2° | 0.1° |
| N4 | C29 | C28 | H38 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.1° |
| C26 | C27 | C28 | H37 | 180.0° | 180.0° |
| C27 | C26 | C24 | H33 | 115.3° | 25.0° |
| C27 | C26 | C24 | H34 | 125.5° | 145.0° |
| C26 | C27 | C28 | H38 | 179.9° | 180.0° |
| O6 | C25 | C23 | H35 | 120.8° | 120.0° |
| O6 | C25 | C23 | H36 | 120.8° | 120.0° |
| O6 | C25 | C23 | N3 | 177.4° | 65.0° |
| O6 | C25 | C23 | H32 | 56.2° | 175.0° |
| O6 | C25 | H35 | H36 | 117.5° | 120.0° |
| C25 | C23 | N3 | H32 | 120.6° | 120.0° |
| C25 | C23 | C24 | H33 | 33.4° | 65.0° |
| C25 | C23 | C24 | H34 | 85.8° | 55.1° |
| C23 | C25 | H35 | H36 | 117.6° | 120.0° |
| C25 | C23 | N3 | H40 | 67.8° | 95.0° |
| C23 | C25 | O6 | H41 | 180.0° | 180.0° |
| C25 | C23 | N3 | C15 | 112.1° | 85.0° |
| N3 | C23 | C24 | H33 | 151.7° | 55.0° |
| N3 | C23 | C24 | H34 | 32.5° | 175.0° |
| N3 | C23 | C25 | H35 | 56.7° | 55.0° |
| N3 | C23 | C25 | H36 | 61.8° | 175.1° |
| C23 | N3 | H40 | C15 | 180.0° | 180.0° |
| C29 | C28 | C27 | H38 | 180.0° | 179.9° |
| C29 | C28 | C27 | H37 | 179.8° | 179.9° |
| C28 | C29 | N4 | H42 | 179.9° | 179.8° |
| C27 | C28 | C29 | H39 | 179.8° | 180.0° |
| H32 | C23 | C24 | H33 | 88.2° | 175.0° |
| H32 | C23 | C24 | H34 | 152.5° | 65.0° |
| H32 | C23 | C25 | H35 | 64.5° | 65.0° |
| H32 | C23 | C25 | H36 | 177.0° | 55.0° |
| H32 | C23 | N3 | H40 | 171.6° | 145.0° |
| H32 | C23 | N3 | C15 | 8.4° | 35.0° |
| H35 | C25 | O6 | H41 | 59.3° | 60.0° |
| H36 | C25 | O6 | H41 | 59.2° | 60.1° |
| H37 | C27 | C28 | H38 | 0.1° | 0.0° |
| H38 | C28 | C29 | H39 | 0.2° | 0.1° |
| H39 | C29 | N4 | H42 | 0.1° | 0.1° |
