PRD_002250
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C11 | sing | 1.46Å | 1.43Å | |
| O3 | C13 | doub | 1.21Å | 1.23Å | |
| C11 | C10 | sing | 1.51Å | 1.58Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C20 | O4 | sing | 1.43Å | 1.41Å | |
| C20 | C18 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C13 | N1 | sing | 1.35Å | 1.41Å | |
| C10 | N3 | sing | 1.35Å | 1.38Å | |
| C10 | O2 | doub | 1.21Å | 1.22Å | |
| N3 | C18 | sing | 1.46Å | 1.47Å | |
| C14 | N1 | sing | 1.47Å | 1.47Å | |
| C21 | O4 | sing | 1.43Å | 1.42Å | |
| N1 | C16 | sing | 1.46Å | 1.49Å | |
| C18 | C19 | sing | 1.51Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C19 | N4 | sing | 1.35Å | 1.41Å | |
| N4 | C28 | sing | 1.47Å | 1.50Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C25 | C27 | doub | 1.36Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.42Å | Aromatic |
| C27 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | C26 | doub | 1.41Å | 1.45Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | C24 | sing | 1.42Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.36Å | 1.36Å | Aromatic |
| C30 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C22 | doub | 1.41Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.36Å | 1.36Å | Aromatic |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C8 | C7 | C6 | 118.7° | 120.0° |
| C8 | C7 | H7 | 120.7° | 120.0° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | C4 | 121.7° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | H9 | 119.2° | 120.0° |
| C7 | C6 | C5 | 120.4° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | H7 | 120.7° | 120.0° |
| C9 | C4 | C5 | 116.7° | 120.0° |
| C9 | C4 | C3 | 123.7° | 120.0° |
| C4 | C9 | H9 | 119.2° | 120.0° |
| C6 | C5 | C4 | 122.1° | 120.0° |
| C6 | C5 | H5 | 119.0° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.0° |
| C4 | C5 | H5 | 119.0° | 120.0° |
| C4 | C3 | C2 | 113.9° | 109.4° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C4 | C3 | H4 | 108.4° | 109.5° |
| C3 | C2 | C1 | 116.8° | 109.5° |
| C3 | C2 | H1 | 107.6° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.4° |
| C2 | C3 | H4 | 108.4° | 109.4° |
| C2 | C1 | O1 | 122.0° | 120.0° |
| C2 | C1 | N2 | 119.9° | 120.0° |
| C1 | C2 | H1 | 107.6° | 109.4° |
| C1 | C2 | H2 | 107.6° | 109.5° |
| O1 | C1 | N2 | 118.1° | 120.0° |
| C1 | N2 | C11 | 126.1° | 120.0° |
| C1 | N2 | H23 | 117.0° | 120.0° |
| N2 | C11 | C10 | 108.4° | 109.5° |
| N2 | C11 | C12 | 115.3° | 109.4° |
| N2 | C11 | H10 | 110.5° | 109.5° |
| C11 | N2 | H23 | 117.0° | 120.1° |
| O3 | C13 | C12 | 119.0° | 120.0° |
| O3 | C13 | N1 | 117.5° | 120.0° |
| C10 | C11 | C12 | 105.3° | 109.4° |
| C11 | C10 | N3 | 122.7° | 120.0° |
| C11 | C10 | O2 | 119.0° | 120.0° |
| C10 | C11 | H10 | 108.5° | 109.5° |
| C11 | C12 | C13 | 121.2° | 109.5° |
| C12 | C11 | H10 | 108.6° | 109.4° |
| C11 | C12 | H11 | 106.5° | 109.5° |
| C11 | C12 | H12 | 106.5° | 109.5° |
| C15 | C14 | N1 | 114.3° | 109.5° |
| C15 | C14 | H13 | 108.3° | 109.5° |
| C15 | C14 | H14 | 108.3° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| O4 | C20 | C18 | 108.5° | 109.5° |
| C20 | O4 | C21 | 113.1° | 114.0° |
| O4 | C20 | H26 | 109.7° | 109.4° |
| O4 | C20 | H27 | 109.7° | 109.5° |
| C20 | C18 | N3 | 109.8° | 109.5° |
| C20 | C18 | C19 | 111.1° | 109.5° |
| C20 | C18 | H25 | 109.2° | 109.4° |
| C18 | C20 | H26 | 109.7° | 109.5° |
| C18 | C20 | H27 | 109.7° | 109.5° |
| C12 | C13 | N1 | 123.6° | 120.0° |
| C13 | C12 | H11 | 106.5° | 109.4° |
| C13 | C12 | H12 | 106.5° | 109.5° |
| C13 | N1 | C14 | 123.4° | 120.0° |
| C13 | N1 | C16 | 121.4° | 120.0° |
| N3 | C10 | O2 | 118.3° | 120.0° |
| C10 | N3 | C18 | 127.0° | 120.0° |
| C10 | N3 | H24 | 116.5° | 120.0° |
| N3 | C18 | C19 | 107.1° | 109.5° |
| C18 | N3 | H24 | 116.5° | 120.0° |
| N3 | C18 | H25 | 110.4° | 109.5° |
| C14 | N1 | C16 | 115.2° | 120.0° |
| N1 | C14 | H13 | 108.2° | 109.4° |
| N1 | C14 | H14 | 108.2° | 109.4° |
| O4 | C21 | H28 | 109.5° | 109.5° |
| O4 | C21 | H29 | 109.5° | 109.5° |
| O4 | C21 | H30 | 109.5° | 109.5° |
| N1 | C16 | C17 | 111.8° | 109.4° |
| N1 | C16 | H18 | 108.9° | 109.5° |
| N1 | C16 | H19 | 108.9° | 109.5° |
| C18 | C19 | O5 | 117.5° | 120.0° |
| C18 | C19 | N4 | 123.6° | 120.0° |
| C19 | C18 | H25 | 109.1° | 109.4° |
| C17 | C16 | H18 | 108.9° | 109.4° |
| C17 | C16 | H19 | 108.9° | 109.4° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.4° |
| C16 | C17 | H22 | 109.4° | 109.5° |
| O5 | C19 | N4 | 118.9° | 120.0° |
| C19 | N4 | C28 | 124.2° | 120.0° |
| C19 | N4 | H35 | 117.9° | 120.0° |
| N4 | C28 | C29 | 118.0° | 109.5° |
| C28 | N4 | H35 | 117.9° | 120.0° |
| N4 | C28 | H36 | 107.3° | 109.5° |
| N4 | C28 | H37 | 107.3° | 109.5° |
| C28 | C29 | C26 | 123.0° | 120.2° |
| C28 | C29 | C30 | 119.6° | 120.2° |
| C29 | C28 | H36 | 107.3° | 109.4° |
| C29 | C28 | H37 | 107.3° | 109.5° |
| C27 | C25 | C26 | 122.8° | 119.6° |
| C25 | C27 | C31 | 120.8° | 121.0° |
| C27 | C25 | H33 | 118.6° | 120.2° |
| C25 | C27 | H34 | 119.6° | 119.5° |
| C25 | C26 | C29 | 123.7° | 121.3° |
| C25 | C26 | C24 | 115.8° | 119.4° |
| C26 | C25 | H33 | 118.6° | 120.2° |
| C27 | C31 | C32 | 118.6° | 121.0° |
| C31 | C27 | H34 | 119.6° | 119.5° |
| C27 | C31 | H39 | 120.7° | 119.5° |
| C26 | C29 | C30 | 117.4° | 119.6° |
| C29 | C26 | C24 | 120.5° | 119.4° |
| C29 | C30 | C23 | 122.1° | 121.0° |
| C29 | C30 | H38 | 119.0° | 119.5° |
| C26 | C24 | C32 | 121.0° | 119.4° |
| C26 | C24 | C22 | 119.4° | 119.3° |
| C31 | C32 | C24 | 121.1° | 119.7° |
| C32 | C31 | H39 | 120.7° | 119.5° |
| C31 | C32 | H40 | 119.5° | 120.2° |
| C30 | C23 | C22 | 120.7° | 121.0° |
| C30 | C23 | H32 | 119.7° | 119.5° |
| C23 | C30 | H38 | 119.0° | 119.5° |
| C32 | C24 | C22 | 119.6° | 121.3° |
| C24 | C32 | H40 | 119.4° | 120.2° |
| C24 | C22 | C23 | 119.9° | 119.7° |
| C24 | C22 | H31 | 120.1° | 120.1° |
| C23 | C22 | H31 | 120.1° | 120.2° |
| C22 | C23 | H32 | 119.6° | 119.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H28 | C21 | H30 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.4° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 0.0° | 0.5° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H6 | 179.8° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.2° |
| C8 | C9 | C4 | H9 | 180.0° | 179.4° |
| C8 | C9 | C4 | C5 | 0.2° | 0.6° |
| C8 | C9 | C4 | C3 | 179.8° | 179.7° |
| C9 | C8 | C7 | H7 | 179.8° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| C9 | C4 | C5 | C6 | 0.2° | 0.3° |
| C9 | C4 | C5 | C3 | 179.6° | 179.7° |
| C9 | C4 | C3 | C2 | 61.3° | 90.3° |
| C9 | C4 | C3 | H3 | 178.1° | 149.7° |
| C9 | C4 | C3 | H4 | 59.4° | 29.7° |
| C9 | C4 | C5 | H5 | 179.8° | 179.7° |
| C4 | C9 | C8 | H8 | 180.0° | 179.7° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.8° | 180.0° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 118.3° | 90.0° |
| C5 | C4 | C3 | H3 | 2.4° | 30.0° |
| C5 | C4 | C3 | H4 | 121.1° | 150.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C9 | H9 | 179.8° | 180.0° |
| C4 | C3 | C2 | H3 | 120.6° | 120.0° |
| C4 | C3 | C2 | H4 | 120.7° | 120.0° |
| C4 | C3 | C2 | C1 | 160.5° | 180.0° |
| C4 | C3 | C2 | H1 | 39.5° | 60.0° |
| C4 | C3 | C2 | H2 | 78.4° | 60.0° |
| C4 | C3 | H3 | H4 | 118.0° | 120.1° |
| C3 | C4 | C5 | H5 | 0.2° | 0.0° |
| C3 | C4 | C9 | H9 | 0.2° | 0.3° |
| C3 | C2 | C1 | H1 | 121.1° | 120.0° |
| C3 | C2 | C1 | H2 | 121.1° | 120.0° |
| C3 | C2 | C1 | O1 | 65.9° | 0.3° |
| C3 | C2 | C1 | N2 | 114.8° | 180.0° |
| C3 | C2 | H1 | H2 | 116.7° | 120.0° |
| C2 | C3 | H3 | H4 | 118.0° | 120.0° |
| C2 | C1 | O1 | N2 | 179.3° | 179.7° |
| C2 | C1 | N2 | C11 | 179.8° | 174.8° |
| C2 | C1 | N2 | H23 | 0.2° | 5.1° |
| C1 | C2 | H1 | H2 | 116.6° | 120.0° |
| C1 | C2 | C3 | H3 | 78.8° | 60.0° |
| C1 | C2 | C3 | H4 | 39.9° | 60.0° |
| O1 | C1 | N2 | C11 | 0.8° | 4.9° |
| O1 | C1 | N2 | H23 | 179.2° | 175.1° |
| O1 | C1 | C2 | H1 | 55.2° | 119.7° |
| O1 | C1 | C2 | H2 | 173.0° | 120.3° |
| C1 | N2 | C11 | H23 | 180.0° | 180.0° |
| C1 | N2 | C11 | C10 | 64.8° | 81.7° |
| C1 | N2 | C11 | C12 | 177.5° | 158.4° |
| C1 | N2 | C11 | H10 | 53.9° | 38.4° |
| N2 | C1 | C2 | H1 | 124.1° | 60.0° |
| N2 | C1 | C2 | H2 | 6.3° | 60.0° |
| N2 | C11 | C10 | C12 | 123.9° | 120.0° |
| N2 | C11 | C10 | H10 | 120.1° | 120.1° |
| N2 | C11 | C12 | H10 | 124.6° | 120.0° |
| N2 | C11 | C12 | C13 | 69.8° | 65.6° |
| N2 | C11 | C10 | N3 | 138.7° | 180.0° |
| N2 | C11 | C10 | O2 | 41.8° | 0.1° |
| N2 | C11 | C12 | H11 | 51.9° | 54.4° |
| N2 | C11 | C12 | H12 | 168.6° | 174.3° |
| O3 | C13 | C12 | C11 | 39.3° | 5.3° |
| O3 | C13 | C12 | N1 | 179.9° | 180.0° |
| O3 | C13 | N1 | C14 | 0.7° | 0.1° |
| O3 | C13 | N1 | C16 | 179.8° | 179.9° |
| O3 | C13 | C12 | H11 | 161.0° | 125.3° |
| O3 | C13 | C12 | H12 | 82.3° | 114.8° |
| C10 | C11 | C12 | H10 | 116.0° | 120.0° |
| C10 | C11 | C12 | C13 | 170.8° | 174.4° |
| C11 | C10 | N3 | O2 | 179.6° | 179.9° |
| C11 | C10 | N3 | C18 | 178.2° | 180.0° |
| C11 | C10 | N3 | H24 | 1.8° | 0.0° |
| C10 | C11 | C12 | H11 | 67.5° | 65.6° |
| C10 | C11 | C12 | H12 | 49.2° | 54.3° |
| C10 | C11 | N2 | H23 | 115.2° | 98.3° |
| C11 | C12 | C13 | H11 | 121.6° | 120.1° |
| C11 | C12 | C13 | H12 | 121.7° | 120.0° |
| C11 | C12 | C13 | N1 | 140.8° | 174.8° |
| C12 | C11 | C10 | N3 | 97.4° | 60.0° |
| C12 | C11 | C10 | O2 | 82.2° | 120.1° |
| C11 | C12 | H11 | H12 | 114.7° | 120.0° |
| C12 | C11 | N2 | H23 | 2.5° | 21.7° |
| C15 | C14 | N1 | C13 | 82.0° | 90.0° |
| C15 | C14 | N1 | H13 | 120.7° | 120.0° |
| C15 | C14 | N1 | H14 | 120.7° | 120.0° |
| C15 | C14 | N1 | C16 | 98.9° | 89.9° |
| C15 | C14 | H13 | H14 | 117.8° | 120.1° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| O4 | C20 | C18 | H26 | 119.9° | 119.9° |
| O4 | C20 | C18 | H27 | 119.8° | 120.0° |
| O4 | C20 | C18 | N3 | 134.2° | 65.0° |
| O4 | C20 | C18 | C19 | 107.5° | 55.1° |
| O4 | C20 | C18 | H25 | 13.0° | 175.0° |
| O4 | C20 | H26 | H27 | 120.4° | 120.0° |
| C20 | O4 | C21 | H28 | 180.0° | 60.0° |
| C20 | O4 | C21 | H29 | 60.0° | 60.0° |
| C20 | O4 | C21 | H30 | 60.0° | 180.0° |
| C20 | C18 | N3 | C10 | 136.0° | 85.0° |
| C20 | C18 | N3 | C19 | 120.7° | 120.0° |
| C20 | C18 | N3 | H25 | 120.6° | 120.0° |
| C18 | C20 | O4 | C21 | 103.2° | 180.0° |
| C20 | C18 | C19 | H25 | 120.5° | 119.9° |
| C20 | C18 | C19 | O5 | 91.2° | 120.0° |
| C20 | C18 | C19 | N4 | 90.2° | 59.9° |
| C20 | C18 | N3 | H24 | 44.0° | 94.9° |
| C18 | C20 | H26 | H27 | 120.4° | 120.0° |
| C12 | C13 | N1 | C14 | 179.1° | 180.0° |
| C12 | C13 | N1 | C16 | 0.1° | 0.1° |
| C13 | C12 | C11 | H10 | 54.9° | 54.4° |
| C13 | C12 | H11 | H12 | 114.7° | 120.0° |
| C13 | N1 | C14 | C16 | 179.1° | 179.9° |
| C13 | N1 | C16 | C17 | 90.7° | 90.1° |
| N1 | C13 | C12 | H11 | 19.1° | 54.7° |
| N1 | C13 | C12 | H12 | 97.5° | 65.2° |
| C13 | N1 | C14 | H13 | 38.7° | 150.0° |
| C13 | N1 | C14 | H14 | 157.2° | 30.0° |
| C13 | N1 | C16 | H18 | 148.9° | 150.0° |
| C13 | N1 | C16 | H19 | 29.7° | 29.9° |
| C10 | N3 | C18 | H24 | 180.0° | 179.9° |
| C10 | N3 | C18 | C19 | 103.3° | 155.0° |
| C10 | N3 | C18 | H25 | 15.4° | 35.0° |
| N3 | C10 | C11 | H10 | 18.6° | 59.9° |
| O2 | C10 | N3 | C18 | 1.3° | 0.0° |
| O2 | C10 | N3 | H24 | 178.7° | 179.9° |
| O2 | C10 | C11 | H10 | 161.8° | 120.0° |
| N3 | C18 | C19 | H25 | 119.6° | 120.0° |
| N3 | C18 | C19 | O5 | 28.7° | 0.1° |
| N3 | C18 | C19 | N4 | 149.9° | 180.0° |
| N3 | C18 | C20 | H26 | 105.9° | 54.9° |
| N3 | C18 | C20 | H27 | 14.4° | 175.0° |
| C14 | N1 | C16 | C17 | 88.4° | 90.1° |
| N1 | C14 | H13 | H14 | 117.7° | 120.0° |
| N1 | C14 | C15 | H15 | 180.0° | 180.0° |
| N1 | C14 | C15 | H16 | 60.0° | 60.0° |
| N1 | C14 | C15 | H17 | 60.0° | 60.0° |
| C14 | N1 | C16 | H18 | 31.9° | 29.9° |
| C14 | N1 | C16 | H19 | 151.2° | 150.0° |
| C21 | O4 | C20 | H26 | 16.6° | 60.0° |
| C21 | O4 | C20 | H27 | 136.9° | 60.0° |
| O4 | C21 | H28 | H29 | 120.0° | 120.0° |
| O4 | C21 | H28 | H30 | 120.0° | 120.0° |
| O4 | C21 | H29 | H30 | 120.0° | 120.0° |
| N1 | C16 | C17 | H18 | 120.4° | 120.0° |
| N1 | C16 | C17 | H19 | 120.4° | 120.0° |
| C16 | N1 | C14 | H13 | 140.4° | 30.1° |
| C16 | N1 | C14 | H14 | 21.9° | 150.1° |
| N1 | C16 | H18 | H19 | 118.9° | 120.1° |
| N1 | C16 | C17 | H20 | 180.0° | 60.0° |
| N1 | C16 | C17 | H21 | 60.0° | 60.0° |
| N1 | C16 | C17 | H22 | 60.0° | 180.0° |
| C18 | C19 | O5 | N4 | 178.6° | 179.9° |
| C18 | C19 | N4 | C28 | 179.3° | 180.0° |
| C19 | C18 | N3 | H24 | 76.7° | 25.1° |
| C18 | C19 | N4 | H35 | 0.7° | 0.0° |
| C19 | C18 | C20 | H26 | 12.4° | 175.0° |
| C19 | C18 | C20 | H27 | 132.7° | 64.9° |
| C17 | C16 | H18 | H19 | 118.9° | 119.9° |
| C16 | C17 | H20 | H21 | 120.0° | 119.9° |
| C16 | C17 | H20 | H22 | 120.0° | 120.0° |
| C16 | C17 | H21 | H22 | 120.0° | 120.0° |
| O5 | C19 | N4 | C28 | 0.8° | 0.1° |
| O5 | C19 | C18 | H25 | 148.3° | 120.1° |
| O5 | C19 | N4 | H35 | 179.2° | 179.9° |
| C19 | N4 | C28 | H35 | 180.0° | 180.0° |
| C19 | N4 | C28 | C29 | 104.8° | 180.0° |
| N4 | C19 | C18 | H25 | 30.3° | 60.0° |
| C19 | N4 | C28 | H36 | 134.0° | 60.1° |
| C19 | N4 | C28 | H37 | 16.4° | 60.0° |
| N4 | C28 | C29 | H36 | 121.2° | 120.0° |
| N4 | C28 | C29 | H37 | 121.2° | 120.0° |
| N4 | C28 | C29 | C26 | 76.7° | 80.0° |
| N4 | C28 | C29 | C30 | 103.9° | 100.2° |
| N4 | C28 | H36 | H37 | 116.1° | 120.1° |
| C28 | C29 | C26 | C25 | 0.5° | 0.0° |
| C28 | C29 | C26 | C30 | 179.3° | 179.8° |
| C28 | C29 | C26 | C24 | 179.8° | 180.0° |
| C28 | C29 | C30 | C23 | 179.6° | 180.0° |
| C29 | C28 | N4 | H35 | 75.2° | 0.0° |
| C29 | C28 | H36 | H37 | 116.2° | 120.0° |
| C28 | C29 | C30 | H38 | 0.3° | 0.0° |
| C27 | C25 | C26 | H33 | 180.0° | 180.0° |
| C25 | C27 | C31 | H34 | 180.0° | 179.9° |
| C27 | C25 | C26 | C29 | 179.5° | 180.0° |
| C27 | C25 | C26 | C24 | 0.2° | 0.0° |
| C25 | C27 | C31 | C32 | 0.2° | 0.1° |
| C25 | C27 | C31 | H39 | 179.8° | 180.0° |
| C26 | C25 | C27 | C31 | 0.2° | 0.0° |
| C25 | C26 | C29 | C24 | 179.6° | 180.0° |
| C25 | C26 | C29 | C30 | 179.9° | 179.8° |
| C25 | C26 | C24 | C32 | 0.3° | 0.0° |
| C25 | C26 | C24 | C22 | 179.9° | 180.0° |
| C26 | C25 | C27 | H34 | 179.9° | 180.0° |
| C27 | C31 | C32 | H39 | 180.0° | 179.9° |
| C27 | C31 | C32 | C24 | 0.3° | 0.1° |
| C31 | C27 | C25 | H33 | 179.9° | 180.0° |
| C27 | C31 | C32 | H40 | 179.7° | 180.0° |
| C26 | C29 | C30 | C23 | 0.3° | 0.2° |
| C29 | C26 | C24 | C32 | 179.4° | 180.0° |
| C29 | C26 | C24 | C22 | 0.5° | 0.0° |
| C29 | C26 | C25 | H33 | 0.5° | 0.1° |
| C26 | C29 | C28 | H36 | 162.0° | 40.0° |
| C26 | C29 | C28 | H37 | 44.4° | 160.0° |
| C26 | C29 | C30 | H38 | 179.7° | 179.8° |
| C30 | C29 | C26 | C24 | 0.5° | 0.2° |
| C29 | C30 | C23 | H38 | 180.0° | 180.0° |
| C29 | C30 | C23 | C22 | 0.0° | 0.0° |
| C29 | C30 | C23 | H32 | 180.0° | 180.0° |
| C30 | C29 | C28 | H36 | 17.3° | 139.8° |
| C30 | C29 | C28 | H37 | 134.9° | 19.8° |
| C26 | C24 | C32 | C31 | 0.4° | 0.0° |
| C26 | C24 | C32 | C22 | 179.9° | 180.0° |
| C26 | C24 | C22 | C23 | 0.2° | 0.3° |
| C26 | C24 | C22 | H31 | 179.8° | 180.0° |
| C24 | C26 | C25 | H33 | 179.9° | 180.0° |
| C26 | C24 | C32 | H40 | 179.6° | 180.0° |
| C31 | C32 | C24 | H40 | 180.0° | 179.9° |
| C31 | C32 | C24 | C22 | 179.8° | 179.9° |
| C32 | C31 | C27 | H34 | 179.8° | 180.0° |
| C30 | C23 | C22 | C24 | 0.0° | 0.3° |
| C30 | C23 | C22 | H32 | 180.0° | 179.9° |
| C30 | C23 | C22 | H31 | 180.0° | 180.0° |
| C32 | C24 | C22 | C23 | 179.7° | 179.7° |
| C32 | C24 | C22 | H31 | 0.3° | 0.0° |
| C24 | C32 | C31 | H39 | 179.7° | 180.0° |
| C24 | C22 | C23 | H31 | 180.0° | 179.7° |
| C24 | C22 | C23 | H32 | 180.0° | 179.8° |
| C22 | C24 | C32 | H40 | 0.2° | 0.0° |
| C22 | C23 | C30 | H38 | 179.9° | 179.9° |
| H31 | C22 | C23 | H32 | 0.0° | 0.1° |
| H32 | C23 | C30 | H38 | 0.0° | 0.0° |
| H33 | C25 | C27 | H34 | 0.1° | 0.0° |
| H34 | C27 | C31 | H39 | 0.2° | 0.1° |
| H24 | N3 | C18 | H25 | 164.6° | 145.1° |
| H25 | C18 | C20 | H26 | 132.8° | 65.1° |
| H25 | C18 | C20 | H27 | 106.9° | 55.0° |
| H35 | N4 | C28 | H36 | 46.0° | 119.9° |
| H35 | N4 | C28 | H37 | 163.6° | 120.0° |
| H39 | C31 | C32 | H40 | 0.3° | 0.1° |
| H28 | C21 | H29 | H30 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 176.5° | 174.4° |
| H10 | C11 | C12 | H12 | 66.8° | 65.7° |
| H10 | C11 | N2 | H23 | 126.1° | 141.6° |
| H13 | C14 | C15 | H15 | 59.3° | 60.1° |
| H13 | C14 | C15 | H16 | 60.7° | 180.0° |
| H13 | C14 | C15 | H17 | 179.3° | 60.0° |
| H14 | C14 | C15 | H15 | 59.3° | 60.0° |
| H14 | C14 | C15 | H16 | 179.3° | 60.0° |
| H14 | C14 | C15 | H17 | 60.7° | 179.9° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H18 | C16 | C17 | H20 | 59.6° | 180.0° |
| H18 | C16 | C17 | H21 | 179.7° | 60.1° |
| H18 | C16 | C17 | H22 | 60.4° | 59.9° |
| H19 | C16 | C17 | H20 | 59.6° | 60.0° |
| H19 | C16 | C17 | H21 | 60.4° | 180.0° |
| H19 | C16 | C17 | H22 | 179.7° | 60.0° |
| H20 | C17 | H21 | H22 | 120.0° | 120.1° |
| H1 | C2 | C3 | H3 | 160.1° | 180.0° |
| H1 | C2 | C3 | H4 | 81.2° | 60.0° |
| H2 | C2 | C3 | H3 | 42.3° | 60.0° |
| H2 | C2 | C3 | H4 | 160.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.3° |
