PRD_002241
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C6 | sing | 1.50Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N3 | C6 | sing | 1.36Å | 1.34Å | |
| N3 | C17 | sing | 1.48Å | 1.46Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C12 | C11 | doub | 1.33Å | 1.34Å | |
| C19 | C17 | sing | 1.53Å | 1.55Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C11 | C8 | sing | 1.47Å | 1.44Å | |
| O4 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | N4 | sing | 1.37Å | 1.33Å | |
| C8 | C5 | doub | 1.33Å | 1.34Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| N4 | C22 | sing | 1.48Å | 1.45Å | |
| C7 | C4 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C30 | sing | 1.50Å | 1.55Å | |
| O2 | C3 | doub | 1.21Å | 1.22Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| N1 | N2 | sing | 1.38Å | 1.41Å | |
| N1 | C2 | sing | 1.48Å | 1.48Å | |
| C25 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | O1 | sing | 1.45Å | 1.43Å | |
| C3 | O1 | sing | 1.34Å | 1.35Å | |
| C3 | C2 | sing | 1.50Å | 1.53Å | |
| C30 | N2 | sing | 1.33Å | 1.35Å | |
| C30 | O6 | doub | 1.21Å | 1.22Å | |
| C24 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C2 | C9 | sing | 1.53Å | 1.56Å | |
| C26 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C1 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C1 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | O5 | sing | 1.36Å | 1.36Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| O5 | H42 | sing | 0.97Å | 0.95Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| C29 | H41 | sing | 1.08Å | 1.08Å | |
| C26 | H39 | sing | 1.08Å | 1.08Å | |
| C25 | H38 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C6 | 112.1° | 109.9° |
| C16 | C15 | C14 | 115.3° | 108.9° |
| C16 | C15 | H21 | 108.0° | 109.6° |
| C16 | C15 | H22 | 108.0° | 109.6° |
| C15 | C16 | H23 | 108.8° | 109.4° |
| C15 | C16 | H24 | 108.8° | 109.4° |
| C16 | C6 | N3 | 116.7° | 120.2° |
| C16 | C6 | O3 | 119.6° | 119.9° |
| C6 | C16 | H23 | 108.8° | 109.4° |
| C6 | C16 | H24 | 108.8° | 109.4° |
| C15 | C14 | C13 | 113.4° | 110.7° |
| C15 | C14 | H19 | 108.5° | 109.2° |
| C15 | C14 | H20 | 108.5° | 109.2° |
| C14 | C15 | H21 | 108.0° | 109.5° |
| C14 | C15 | H22 | 108.0° | 109.6° |
| C20 | C19 | C17 | 115.5° | 109.5° |
| C20 | C19 | C21 | 110.5° | 109.5° |
| C20 | C19 | H27 | 106.9° | 109.5° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| C19 | C20 | H29 | 109.5° | 109.5° |
| C19 | C20 | H30 | 109.5° | 109.5° |
| C14 | C13 | C12 | 110.8° | 107.5° |
| C14 | C13 | H17 | 109.1° | 109.9° |
| C14 | C13 | H18 | 109.1° | 110.0° |
| C13 | C14 | H19 | 108.5° | 109.2° |
| C13 | C14 | H20 | 108.5° | 109.2° |
| C6 | N3 | C17 | 126.4° | 116.1° |
| N3 | C6 | O3 | 123.7° | 119.9° |
| C6 | N3 | H25 | 116.8° | 121.9° |
| N3 | C17 | C19 | 116.5° | 109.5° |
| N3 | C17 | C18 | 106.4° | 109.2° |
| N3 | C17 | H26 | 105.4° | 109.5° |
| C17 | N3 | H25 | 116.8° | 122.0° |
| C13 | C12 | C11 | 123.2° | 119.2° |
| C13 | C12 | H16 | 118.4° | 119.6° |
| C12 | C13 | H17 | 109.1° | 109.8° |
| C12 | C13 | H18 | 109.1° | 109.9° |
| C12 | C11 | C8 | 123.0° | 120.1° |
| C12 | C11 | H15 | 118.5° | 120.2° |
| C11 | C12 | H16 | 118.4° | 120.9° |
| C17 | C19 | C21 | 109.9° | 109.5° |
| C19 | C17 | C18 | 118.1° | 109.5° |
| C19 | C17 | H26 | 104.5° | 109.6° |
| C17 | C19 | H27 | 106.8° | 109.5° |
| C21 | C19 | H27 | 106.8° | 109.5° |
| C19 | C21 | H31 | 109.5° | 109.5° |
| C19 | C21 | H32 | 109.5° | 109.5° |
| C19 | C21 | H33 | 109.5° | 109.5° |
| C17 | C18 | O4 | 120.7° | 120.8° |
| C17 | C18 | N4 | 116.0° | 118.4° |
| C18 | C17 | H26 | 104.7° | 109.5° |
| C11 | C8 | C5 | 122.3° | 119.2° |
| C11 | C8 | H10 | 118.8° | 119.7° |
| C8 | C11 | H15 | 118.5° | 119.7° |
| O4 | C18 | N4 | 123.2° | 120.8° |
| C18 | N4 | C22 | 126.2° | 115.6° |
| C18 | N4 | H34 | 116.9° | 122.2° |
| C8 | C5 | C7 | 123.3° | 121.0° |
| C8 | C5 | H7 | 118.4° | 119.5° |
| C5 | C8 | H10 | 118.8° | 121.0° |
| C5 | C7 | C4 | 112.3° | 109.2° |
| C7 | C5 | H7 | 118.3° | 119.5° |
| C5 | C7 | H8 | 108.8° | 109.5° |
| C5 | C7 | H9 | 108.8° | 109.5° |
| N4 | C22 | C23 | 103.3° | 109.8° |
| N4 | C22 | C30 | 113.3° | 107.6° |
| N4 | C22 | H35 | 110.8° | 109.8° |
| C22 | N4 | H34 | 116.9° | 122.2° |
| C7 | C4 | O1 | 112.7° | 110.3° |
| C7 | C4 | H5 | 108.7° | 109.4° |
| C7 | C4 | H6 | 108.6° | 109.1° |
| C4 | C7 | H8 | 108.7° | 109.5° |
| C4 | C7 | H9 | 108.8° | 109.5° |
| C23 | C22 | C30 | 110.3° | 109.8° |
| C22 | C23 | C24 | 114.5° | 109.5° |
| C23 | C22 | H35 | 109.4° | 109.9° |
| C22 | C23 | H36 | 108.2° | 109.5° |
| C22 | C23 | H37 | 108.2° | 109.5° |
| C22 | C30 | N2 | 118.0° | 122.8° |
| C22 | C30 | O6 | 120.1° | 118.6° |
| C30 | C22 | H35 | 109.5° | 109.9° |
| O2 | C3 | O1 | 125.6° | 120.0° |
| O2 | C3 | C2 | 123.2° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C23 | C24 | C27 | 119.3° | 120.0° |
| C24 | C23 | H36 | 108.2° | 109.5° |
| C24 | C23 | H37 | 108.2° | 109.5° |
| N2 | N1 | C2 | 113.6° | 109.5° |
| N1 | N2 | C30 | 119.3° | 119.5° |
| N1 | N2 | C10 | 115.1° | 118.4° |
| N2 | N1 | H1 | 108.4° | 111.0° |
| N1 | C2 | C3 | 112.0° | 109.8° |
| N1 | C2 | C9 | 112.8° | 109.2° |
| C2 | N1 | H1 | 108.4° | 111.0° |
| N1 | C2 | H4 | 108.2° | 108.0° |
| C24 | C25 | C26 | 120.3° | 120.1° |
| C25 | C24 | C27 | 119.8° | 120.0° |
| C24 | C25 | H38 | 119.9° | 120.0° |
| C25 | C26 | C29 | 119.4° | 120.1° |
| C25 | C26 | H39 | 120.3° | 119.9° |
| C26 | C25 | H38 | 119.9° | 119.9° |
| C4 | O1 | C3 | 121.7° | 117.4° |
| O1 | C4 | H5 | 108.7° | 109.4° |
| O1 | C4 | H6 | 108.7° | 109.3° |
| O1 | C3 | C2 | 111.1° | 120.0° |
| C3 | C2 | C9 | 108.8° | 111.1° |
| C3 | C2 | H4 | 107.6° | 109.4° |
| N2 | C30 | O6 | 121.9° | 118.6° |
| C30 | N2 | C10 | 125.6° | 122.2° |
| C24 | C27 | C28 | 120.2° | 119.9° |
| C24 | C27 | H40 | 119.9° | 120.0° |
| N2 | C10 | C1 | 109.8° | 108.4° |
| N2 | C10 | H13 | 109.4° | 109.6° |
| N2 | C10 | H14 | 109.4° | 109.7° |
| C2 | C9 | C1 | 112.0° | 111.0° |
| C9 | C2 | H4 | 107.2° | 109.2° |
| C2 | C9 | H11 | 108.8° | 109.2° |
| C2 | C9 | H12 | 108.9° | 109.2° |
| C26 | C29 | C28 | 120.3° | 120.0° |
| C26 | C29 | H41 | 119.9° | 120.1° |
| C29 | C26 | H39 | 120.3° | 120.0° |
| C10 | C1 | C9 | 109.7° | 111.2° |
| C10 | C1 | H2 | 109.4° | 109.2° |
| C10 | C1 | H3 | 109.4° | 109.1° |
| C1 | C10 | H13 | 109.4° | 109.7° |
| C1 | C10 | H14 | 109.4° | 109.7° |
| C27 | C28 | C29 | 120.0° | 119.9° |
| C27 | C28 | O5 | 119.1° | 120.0° |
| C28 | C27 | H40 | 119.9° | 120.0° |
| C9 | C1 | H2 | 109.4° | 109.1° |
| C9 | C1 | H3 | 109.4° | 109.1° |
| C1 | C9 | H11 | 108.9° | 109.2° |
| C1 | C9 | H12 | 108.8° | 109.1° |
| C29 | C28 | O5 | 120.9° | 120.1° |
| C28 | C29 | H41 | 119.9° | 120.0° |
| C28 | O5 | H42 | 109.5° | 114.0° |
| H2 | C1 | H3 | 109.5° | 109.1° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.6° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H30 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.4° | 109.1° |
| H13 | C10 | H14 | 109.5° | 109.7° |
| H31 | C21 | H32 | 109.4° | 109.4° |
| H31 | C21 | H33 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.8° |
| H19 | C14 | H20 | 109.5° | 109.2° |
| H21 | C15 | H22 | 109.5° | 109.6° |
| H23 | C16 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C6 | H23 | 120.4° | 120.1° |
| C15 | C16 | C6 | H24 | 120.4° | 120.1° |
| C16 | C15 | C14 | H21 | 120.8° | 119.8° |
| C16 | C15 | C14 | H22 | 120.9° | 119.9° |
| C16 | C15 | C14 | C13 | 173.6° | 162.3° |
| C15 | C16 | C6 | N3 | 100.2° | 144.1° |
| C15 | C16 | C6 | O3 | 79.9° | 35.9° |
| C16 | C15 | C14 | H19 | 53.1° | 77.4° |
| C16 | C15 | C14 | H20 | 65.8° | 42.0° |
| C16 | C15 | H21 | H22 | 117.4° | 120.3° |
| C15 | C16 | H23 | H24 | 118.8° | 119.8° |
| C6 | C16 | C15 | C14 | 31.4° | 90.2° |
| C16 | C6 | N3 | O3 | 179.9° | 180.0° |
| C16 | C6 | N3 | C17 | 178.2° | 176.1° |
| C16 | C6 | N3 | H25 | 1.9° | 4.0° |
| C6 | C16 | C15 | H21 | 152.2° | 150.0° |
| C6 | C16 | C15 | H22 | 89.5° | 29.7° |
| C6 | C16 | H23 | H24 | 118.8° | 119.8° |
| C15 | C14 | C13 | H19 | 120.6° | 120.3° |
| C15 | C14 | C13 | H20 | 120.6° | 120.3° |
| C15 | C14 | C13 | C12 | 167.0° | 170.2° |
| C15 | C14 | C13 | H17 | 46.9° | 70.3° |
| C15 | C14 | C13 | H18 | 72.7° | 50.6° |
| C15 | C14 | H19 | H20 | 118.2° | 119.4° |
| C14 | C15 | H21 | H22 | 117.3° | 120.2° |
| C14 | C15 | C16 | H23 | 151.8° | 149.7° |
| C14 | C15 | C16 | H24 | 89.0° | 29.9° |
| C20 | C19 | C17 | N3 | 43.3° | 61.3° |
| C20 | C19 | C17 | C21 | 125.8° | 120.0° |
| C20 | C19 | C17 | H27 | 118.7° | 120.0° |
| C20 | C19 | C21 | H27 | 115.9° | 120.0° |
| C20 | C19 | C17 | C18 | 171.8° | 58.5° |
| C20 | C19 | C17 | H26 | 72.5° | 178.6° |
| C19 | C20 | H28 | H29 | 120.0° | 120.0° |
| C19 | C20 | H28 | H30 | 120.0° | 120.0° |
| C19 | C20 | H29 | H30 | 120.0° | 120.0° |
| C20 | C19 | C21 | H31 | 180.0° | 152.1° |
| C20 | C19 | C21 | H32 | 60.0° | 87.9° |
| C20 | C19 | C21 | H33 | 60.0° | 32.1° |
| C14 | C13 | C12 | H17 | 120.2° | 119.5° |
| C14 | C13 | C12 | H18 | 120.2° | 119.6° |
| C14 | C13 | C12 | C11 | 141.5° | 76.1° |
| C14 | C13 | C12 | H16 | 38.5° | 98.1° |
| C14 | C13 | H17 | H18 | 119.4° | 121.0° |
| C13 | C14 | H19 | H20 | 118.2° | 119.4° |
| C13 | C14 | C15 | H21 | 65.6° | 42.5° |
| C13 | C14 | C15 | H22 | 52.8° | 77.7° |
| C6 | N3 | C17 | H25 | 180.0° | 180.0° |
| C6 | N3 | C17 | C19 | 142.6° | 13.7° |
| C6 | N3 | C17 | C18 | 83.4° | 133.6° |
| C6 | N3 | C17 | H26 | 27.3° | 106.5° |
| N3 | C6 | C16 | H23 | 139.4° | 95.8° |
| N3 | C6 | C16 | H24 | 20.2° | 24.0° |
| C17 | N3 | C6 | O3 | 1.9° | 3.9° |
| N3 | C17 | C19 | C18 | 128.5° | 119.8° |
| N3 | C17 | C19 | H26 | 115.8° | 120.1° |
| N3 | C17 | C19 | C21 | 169.1° | 178.7° |
| N3 | C17 | C18 | H26 | 111.3° | 119.9° |
| N3 | C17 | C18 | O4 | 83.6° | 13.6° |
| N3 | C17 | C18 | N4 | 94.5° | 166.4° |
| N3 | C17 | C19 | H27 | 75.3° | 58.7° |
| C13 | C12 | C11 | H16 | 180.0° | 174.1° |
| C13 | C12 | C11 | C8 | 179.9° | 168.6° |
| C13 | C12 | C11 | H15 | 0.1° | 10.2° |
| C12 | C13 | H17 | H18 | 119.4° | 120.9° |
| C12 | C13 | C14 | H19 | 72.4° | 49.9° |
| C12 | C13 | C14 | H20 | 46.5° | 69.5° |
| O3 | C6 | N3 | H25 | 178.0° | 176.0° |
| O3 | C6 | C16 | H23 | 40.5° | 84.2° |
| O3 | C6 | C16 | H24 | 159.7° | 156.0° |
| C12 | C11 | C8 | H15 | 180.0° | 178.8° |
| C12 | C11 | C8 | C5 | 179.5° | 170.2° |
| C12 | C11 | C8 | H10 | 0.4° | 6.7° |
| C11 | C12 | C13 | H17 | 98.3° | 164.4° |
| C11 | C12 | C13 | H18 | 21.3° | 43.5° |
| C17 | C19 | C21 | H27 | 115.5° | 120.0° |
| C19 | C17 | C18 | H26 | 115.6° | 120.2° |
| C19 | C17 | C18 | O4 | 49.5° | 133.5° |
| C19 | C17 | C18 | N4 | 132.4° | 46.5° |
| C17 | C19 | C20 | H28 | 180.0° | 72.6° |
| C17 | C19 | C20 | H29 | 60.0° | 167.4° |
| C17 | C19 | C20 | H30 | 60.0° | 47.4° |
| C17 | C19 | C21 | H31 | 51.4° | 32.1° |
| C17 | C19 | C21 | H32 | 68.6° | 152.1° |
| C17 | C19 | C21 | H33 | 171.4° | 87.9° |
| C19 | C17 | N3 | H25 | 37.4° | 166.3° |
| C21 | C19 | C17 | C18 | 62.4° | 61.6° |
| C21 | C19 | C17 | H26 | 53.4° | 58.6° |
| C21 | C19 | C20 | H28 | 54.5° | 47.4° |
| C21 | C19 | C20 | H29 | 65.5° | 72.5° |
| C21 | C19 | C20 | H30 | 174.5° | 167.4° |
| C19 | C21 | H31 | H32 | 120.0° | 120.0° |
| C19 | C21 | H31 | H33 | 120.0° | 120.0° |
| C19 | C21 | H32 | H33 | 120.0° | 120.0° |
| C17 | C18 | O4 | N4 | 177.9° | 180.0° |
| C17 | C18 | N4 | C22 | 177.2° | 177.8° |
| C18 | C17 | C19 | H27 | 53.1° | 178.4° |
| C17 | C18 | N4 | H34 | 2.8° | 2.3° |
| C18 | C17 | N3 | H25 | 96.6° | 46.4° |
| C11 | C8 | C5 | H10 | 180.0° | 176.8° |
| C11 | C8 | C5 | C7 | 179.9° | 174.4° |
| C11 | C8 | C5 | H7 | 0.1° | 5.2° |
| C8 | C11 | C12 | H16 | 0.1° | 5.6° |
| O4 | C18 | N4 | C22 | 0.8° | 2.2° |
| O4 | C18 | C17 | H26 | 165.1° | 106.3° |
| O4 | C18 | N4 | H34 | 179.2° | 177.7° |
| C18 | N4 | C22 | H34 | 180.0° | 179.9° |
| C18 | N4 | C22 | C23 | 146.7° | 141.0° |
| C18 | N4 | C22 | C30 | 93.9° | 99.5° |
| C18 | N4 | C22 | H35 | 29.6° | 20.1° |
| N4 | C18 | C17 | H26 | 16.8° | 73.7° |
| C8 | C5 | C7 | H7 | 180.0° | 179.5° |
| C8 | C5 | C7 | C4 | 126.1° | 149.2° |
| C8 | C5 | C7 | H8 | 5.7° | 29.2° |
| C8 | C5 | C7 | H9 | 113.5° | 90.9° |
| C5 | C8 | C11 | H15 | 0.4° | 8.6° |
| C5 | C7 | C4 | H8 | 120.4° | 119.9° |
| C5 | C7 | C4 | H9 | 120.4° | 119.9° |
| C5 | C7 | C4 | O1 | 49.1° | 65.0° |
| C5 | C7 | C4 | H5 | 169.6° | 55.3° |
| C5 | C7 | C4 | H6 | 71.3° | 174.9° |
| C5 | C7 | H8 | H9 | 118.7° | 120.1° |
| C7 | C5 | C8 | H10 | 0.1° | 2.5° |
| N4 | C22 | C23 | C30 | 121.4° | 118.1° |
| N4 | C22 | C23 | H35 | 118.1° | 120.9° |
| N4 | C22 | C30 | H35 | 124.3° | 119.5° |
| N4 | C22 | C23 | C24 | 178.1° | 65.0° |
| N4 | C22 | C30 | N2 | 138.1° | 147.8° |
| N4 | C22 | C30 | O6 | 42.5° | 32.2° |
| N4 | C22 | C23 | H36 | 57.3° | 55.0° |
| N4 | C22 | C23 | H37 | 61.2° | 175.0° |
| C7 | C4 | O1 | H5 | 120.5° | 120.3° |
| C7 | C4 | O1 | H6 | 120.5° | 120.0° |
| C7 | C4 | O1 | C3 | 53.6° | 160.3° |
| C7 | C4 | H5 | H6 | 118.5° | 119.5° |
| C4 | C7 | C5 | H7 | 53.9° | 30.4° |
| C4 | C7 | H8 | H9 | 118.7° | 120.2° |
| C23 | C22 | C30 | H35 | 120.4° | 121.0° |
| C22 | C23 | C24 | H36 | 120.7° | 120.0° |
| C22 | C23 | C24 | H37 | 120.7° | 120.0° |
| C22 | C23 | C24 | C25 | 85.0° | 89.7° |
| C23 | C22 | C30 | N2 | 106.6° | 92.7° |
| C23 | C22 | C30 | O6 | 72.8° | 87.3° |
| C22 | C23 | C24 | C27 | 95.5° | 90.0° |
| C22 | C23 | H36 | H37 | 117.7° | 120.0° |
| C23 | C22 | N4 | H34 | 33.3° | 38.9° |
| C30 | C22 | C23 | C24 | 60.5° | 176.9° |
| C22 | C30 | N2 | N1 | 0.4° | 163.4° |
| C22 | C30 | N2 | O6 | 179.4° | 180.0° |
| C22 | C30 | N2 | C10 | 179.0° | 16.4° |
| C30 | C22 | C23 | H36 | 178.8° | 63.2° |
| C30 | C22 | C23 | H37 | 60.2° | 56.9° |
| C30 | C22 | N4 | H34 | 86.1° | 80.6° |
| O2 | C3 | C2 | N1 | 32.8° | 82.0° |
| O2 | C3 | O1 | C4 | 0.0° | 1.8° |
| O2 | C3 | O1 | C2 | 179.3° | 180.0° |
| O2 | C3 | C2 | C9 | 92.5° | 39.0° |
| O2 | C3 | C2 | H4 | 151.6° | 159.6° |
| C23 | C24 | C25 | C27 | 179.4° | 179.7° |
| C23 | C24 | C25 | C26 | 180.0° | 180.0° |
| C23 | C24 | C27 | C28 | 179.5° | 180.0° |
| C24 | C23 | C22 | H35 | 60.0° | 55.9° |
| C24 | C23 | H36 | H37 | 117.7° | 120.0° |
| C23 | C24 | C27 | H40 | 0.5° | 0.0° |
| C23 | C24 | C25 | H38 | 0.0° | 0.0° |
| N2 | N1 | C2 | H1 | 120.6° | 122.9° |
| N2 | N1 | C2 | C3 | 170.8° | 169.5° |
| N1 | N2 | C30 | C10 | 178.6° | 179.8° |
| N1 | N2 | C30 | O6 | 179.0° | 16.5° |
| N2 | N1 | C2 | C9 | 47.7° | 68.4° |
| N1 | N2 | C10 | C1 | 59.1° | 23.4° |
| N2 | N1 | C2 | H4 | 70.8° | 50.3° |
| N1 | N2 | C10 | H13 | 179.1° | 143.2° |
| N1 | N2 | C10 | H14 | 61.0° | 96.3° |
| N1 | C2 | C3 | O1 | 147.8° | 98.1° |
| N1 | C2 | C3 | C9 | 125.4° | 121.0° |
| N1 | C2 | C3 | H4 | 118.8° | 118.4° |
| C2 | N1 | N2 | C30 | 123.4° | 141.3° |
| C2 | N1 | N2 | C10 | 55.4° | 38.5° |
| N1 | C2 | C9 | H4 | 119.1° | 117.9° |
| N1 | C2 | C9 | C1 | 46.5° | 31.7° |
| N1 | C2 | C9 | H11 | 73.9° | 152.1° |
| N1 | C2 | C9 | H12 | 166.9° | 88.7° |
| C24 | C25 | C26 | H38 | 180.0° | 180.0° |
| C24 | C25 | C26 | C29 | 0.1° | 0.0° |
| C25 | C24 | C27 | C28 | 1.0° | 0.3° |
| C25 | C24 | C23 | H36 | 35.7° | 150.3° |
| C25 | C24 | C23 | H37 | 154.2° | 30.2° |
| C25 | C24 | C27 | H40 | 179.0° | 179.7° |
| C24 | C25 | C26 | H39 | 179.9° | 180.0° |
| C26 | C25 | C24 | C27 | 0.6° | 0.3° |
| C25 | C26 | C29 | H39 | 180.0° | 180.0° |
| C25 | C26 | C29 | C28 | 0.1° | 0.3° |
| C25 | C26 | C29 | H41 | 179.9° | 180.0° |
| C4 | O1 | C3 | C2 | 179.3° | 178.3° |
| O1 | C4 | H5 | H6 | 118.5° | 119.7° |
| O1 | C4 | C7 | H8 | 71.3° | 55.0° |
| O1 | C4 | C7 | H9 | 169.5° | 175.2° |
| O1 | C3 | C2 | C9 | 86.8° | 140.9° |
| O1 | C3 | C2 | H4 | 29.0° | 20.3° |
| C3 | O1 | C4 | H5 | 66.9° | 79.4° |
| C3 | O1 | C4 | H6 | 174.1° | 40.3° |
| C3 | C2 | C9 | H4 | 116.0° | 120.7° |
| C3 | C2 | C9 | C1 | 171.4° | 153.0° |
| C3 | C2 | N1 | H1 | 50.2° | 67.6° |
| C3 | C2 | C9 | H11 | 51.0° | 86.6° |
| C3 | C2 | C9 | H12 | 68.2° | 32.6° |
| C30 | N2 | C10 | C1 | 119.6° | 156.8° |
| C30 | N2 | N1 | H1 | 116.0° | 95.7° |
| N2 | C30 | C22 | H35 | 13.8° | 28.3° |
| C30 | N2 | C10 | H13 | 0.4° | 37.0° |
| C30 | N2 | C10 | H14 | 120.3° | 83.5° |
| O6 | C30 | N2 | C10 | 0.4° | 163.7° |
| O6 | C30 | C22 | H35 | 166.8° | 151.7° |
| C24 | C27 | C28 | H40 | 180.0° | 180.0° |
| C24 | C27 | C28 | C29 | 1.0° | 0.0° |
| C24 | C27 | C28 | O5 | 179.4° | 180.0° |
| C27 | C24 | C23 | H36 | 143.7° | 30.0° |
| C27 | C24 | C23 | H37 | 25.2° | 150.0° |
| C27 | C24 | C25 | H38 | 179.4° | 179.7° |
| N2 | C10 | C1 | H13 | 120.0° | 119.7° |
| N2 | C10 | C1 | H14 | 120.1° | 119.8° |
| N2 | C10 | C1 | C9 | 55.4° | 57.9° |
| C10 | N2 | N1 | H1 | 65.2° | 84.4° |
| N2 | C10 | C1 | H2 | 64.6° | 62.6° |
| N2 | C10 | C1 | H3 | 175.4° | 178.3° |
| N2 | C10 | H13 | H14 | 119.9° | 120.6° |
| C2 | C9 | C1 | C10 | 50.4° | 28.7° |
| C2 | C9 | C1 | H11 | 120.4° | 120.4° |
| C2 | C9 | C1 | H12 | 120.4° | 120.4° |
| C9 | C2 | N1 | H1 | 72.9° | 54.6° |
| C2 | C9 | C1 | H2 | 69.7° | 91.9° |
| C2 | C9 | C1 | H3 | 170.4° | 149.1° |
| C2 | C9 | H11 | H12 | 118.8° | 119.3° |
| C26 | C29 | C28 | C27 | 0.5° | 0.3° |
| C26 | C29 | C28 | H41 | 180.0° | 179.7° |
| C26 | C29 | C28 | O5 | 179.9° | 179.7° |
| C29 | C26 | C25 | H38 | 179.9° | 180.0° |
| C10 | C1 | C9 | H2 | 120.1° | 120.5° |
| C10 | C1 | C9 | H3 | 120.0° | 120.4° |
| C10 | C1 | H2 | H3 | 119.9° | 119.2° |
| C10 | C1 | C9 | H11 | 70.0° | 91.8° |
| C10 | C1 | C9 | H12 | 170.8° | 149.1° |
| C1 | C10 | H13 | H14 | 119.9° | 120.5° |
| C27 | C28 | C29 | O5 | 179.6° | 180.0° |
| C27 | C28 | O5 | H42 | 180.0° | 90.1° |
| C27 | C28 | C29 | H41 | 179.5° | 180.0° |
| C9 | C1 | H2 | H3 | 119.9° | 119.1° |
| C1 | C9 | C2 | H4 | 72.5° | 86.2° |
| C1 | C9 | H11 | H12 | 118.8° | 119.2° |
| C9 | C1 | C10 | H13 | 175.5° | 177.6° |
| C9 | C1 | C10 | H14 | 64.6° | 61.9° |
| C29 | C28 | O5 | H42 | 0.4° | 90.0° |
| C29 | C28 | C27 | H40 | 179.0° | 180.0° |
| C28 | C29 | C26 | H39 | 179.9° | 179.7° |
| O5 | C28 | C27 | H40 | 0.6° | 0.0° |
| O5 | C28 | C29 | H41 | 0.1° | 0.0° |
| H1 | N1 | C2 | H4 | 168.6° | 173.2° |
| H2 | C1 | C9 | H11 | 170.0° | 147.7° |
| H2 | C1 | C9 | H12 | 50.7° | 28.6° |
| H2 | C1 | C10 | H13 | 55.4° | 57.1° |
| H2 | C1 | C10 | H14 | 175.3° | 177.6° |
| H3 | C1 | C9 | H11 | 50.0° | 28.6° |
| H3 | C1 | C9 | H12 | 69.2° | 90.5° |
| H3 | C1 | C10 | H13 | 64.5° | 62.0° |
| H3 | C1 | C10 | H14 | 55.4° | 58.5° |
| H4 | C2 | C9 | H11 | 167.1° | 34.2° |
| H4 | C2 | C9 | H12 | 47.9° | 153.4° |
| H35 | C22 | C23 | H36 | 60.7° | 175.9° |
| H35 | C22 | C23 | H37 | 179.3° | 64.1° |
| H35 | C22 | N4 | H34 | 150.4° | 159.8° |
| H5 | C4 | C7 | H8 | 49.2° | 175.3° |
| H5 | C4 | C7 | H9 | 70.0° | 64.5° |
| H6 | C4 | C7 | H8 | 168.2° | 65.1° |
| H6 | C4 | C7 | H9 | 49.1° | 55.1° |
| H26 | C17 | C19 | H27 | 168.9° | 61.4° |
| H26 | C17 | N3 | H25 | 152.7° | 73.5° |
| H7 | C5 | C7 | H8 | 174.3° | 150.3° |
| H7 | C5 | C7 | H9 | 66.6° | 89.6° |
| H7 | C5 | C8 | H10 | 179.9° | 178.0° |
| H27 | C19 | C20 | H28 | 61.4° | 167.4° |
| H27 | C19 | C20 | H29 | 178.6° | 47.5° |
| H27 | C19 | C20 | H30 | 58.6° | 72.6° |
| H27 | C19 | C21 | H31 | 64.1° | 87.9° |
| H27 | C19 | C21 | H32 | 175.9° | 32.1° |
| H27 | C19 | C21 | H33 | 55.9° | 152.1° |
| H28 | C20 | H29 | H30 | 120.0° | 120.0° |
| H10 | C8 | C11 | H15 | 179.6° | 174.5° |
| H31 | C21 | H32 | H33 | 120.0° | 120.0° |
| H15 | C11 | C12 | H16 | 179.9° | 175.7° |
| H16 | C12 | C13 | H17 | 81.7° | 21.4° |
| H16 | C12 | C13 | H18 | 158.7° | 142.3° |
| H17 | C13 | C14 | H19 | 167.4° | 169.4° |
| H17 | C13 | C14 | H20 | 73.7° | 50.0° |
| H18 | C13 | C14 | H19 | 47.8° | 69.7° |
| H18 | C13 | C14 | H20 | 166.7° | 170.9° |
| H19 | C14 | C15 | H21 | 173.9° | 162.8° |
| H19 | C14 | C15 | H22 | 67.8° | 42.5° |
| H20 | C14 | C15 | H21 | 55.0° | 77.8° |
| H20 | C14 | C15 | H22 | 173.3° | 162.0° |
| H41 | C29 | C26 | H39 | 0.1° | 0.0° |
| H39 | C26 | C25 | H38 | 0.1° | 0.0° |
| H21 | C15 | C16 | H23 | 87.4° | 29.9° |
| H21 | C15 | C16 | H24 | 31.8° | 89.9° |
| H22 | C15 | C16 | H23 | 30.9° | 90.4° |
| H22 | C15 | C16 | H24 | 150.1° | 149.8° |
