PRD_002240
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C8 | sing | 1.43Å | 1.44Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C6 | sing | 1.53Å | 1.56Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| O5 | C24 | doub | 1.21Å | 1.23Å | |
| N3 | C23 | sing | 1.48Å | 1.46Å | |
| N3 | C5 | sing | 1.37Å | 1.38Å | |
| C9 | C10 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | N4 | sing | 1.36Å | 1.37Å | |
| C19 | C15 | sing | 1.48Å | 1.47Å | |
| C19 | C20 | doub | 1.33Å | 1.34Å | |
| C10 | C20 | sing | 1.51Å | 1.51Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| O2 | C11 | doub | 1.21Å | 1.22Å | |
| N4 | C28 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| N2 | N1 | sing | 1.39Å | 1.42Å | |
| N2 | C4 | sing | 1.49Å | 1.48Å | |
| C13 | C12 | sing | 1.50Å | 1.53Å | |
| C28 | C29 | sing | 1.50Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| N1 | C29 | sing | 1.34Å | 1.37Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C29 | O6 | doub | 1.23Å | 1.24Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C11 | C4 | sing | 1.51Å | 1.52Å | |
| C11 | O4 | sing | 1.34Å | 1.35Å | |
| C4 | C1 | sing | 1.53Å | 1.53Å | |
| C12 | O4 | sing | 1.45Å | 1.45Å | |
| C12 | C22 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N2 | H1 | sing | 1.07Å | 1.00Å | |
| N4 | H40 | sing | 0.97Å | 1.00Å | |
| N3 | H31 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.10Å | |
| C28 | H41 | sing | 1.10Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.10Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O3 | C8 | 117.2° | 114.0° |
| O3 | C21 | H25 | 109.5° | 109.5° |
| O3 | C21 | H26 | 109.5° | 109.5° |
| O3 | C21 | H27 | 109.5° | 109.4° |
| O3 | C8 | C9 | 113.8° | 109.2° |
| O3 | C8 | C6 | 109.9° | 109.2° |
| O3 | C8 | H13 | 105.2° | 108.5° |
| C27 | C25 | C26 | 109.4° | 109.5° |
| C27 | C25 | C23 | 111.7° | 109.5° |
| C27 | C25 | H33 | 108.3° | 109.5° |
| C25 | C27 | H37 | 109.5° | 109.6° |
| C25 | C27 | H38 | 109.4° | 109.5° |
| C25 | C27 | H39 | 109.5° | 109.5° |
| C26 | C25 | C23 | 110.8° | 109.4° |
| C26 | C25 | H33 | 108.3° | 109.4° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C25 | C26 | H36 | 109.5° | 109.5° |
| C25 | C23 | N3 | 115.1° | 109.5° |
| C25 | C23 | C24 | 114.2° | 109.5° |
| C25 | C23 | H32 | 106.2° | 109.5° |
| C23 | C25 | H33 | 108.3° | 109.5° |
| C9 | C8 | C6 | 118.3° | 111.5° |
| C8 | C9 | C10 | 116.4° | 109.6° |
| C9 | C8 | H13 | 104.1° | 109.2° |
| C8 | C9 | H14 | 107.7° | 110.2° |
| C8 | C9 | H15 | 107.7° | 110.0° |
| C8 | C6 | C7 | 113.7° | 111.2° |
| C8 | C6 | C5 | 113.5° | 110.1° |
| C8 | C6 | H9 | 107.0° | 108.4° |
| C6 | C8 | H13 | 104.0° | 109.2° |
| C7 | C6 | C5 | 107.9° | 110.1° |
| C7 | C6 | H9 | 107.2° | 108.5° |
| C6 | C7 | H10 | 109.5° | 109.4° |
| C6 | C7 | H11 | 109.4° | 109.4° |
| C6 | C7 | H12 | 109.4° | 109.5° |
| O5 | C24 | C23 | 122.0° | 119.8° |
| O5 | C24 | N4 | 121.1° | 120.2° |
| C23 | N3 | C5 | 123.9° | 115.9° |
| N3 | C23 | C24 | 107.1° | 109.1° |
| C23 | N3 | H31 | 118.1° | 122.1° |
| N3 | C23 | H32 | 107.1° | 109.9° |
| N3 | C5 | C6 | 114.4° | 118.8° |
| N3 | C5 | O1 | 123.2° | 120.7° |
| C5 | N3 | H31 | 118.0° | 122.0° |
| C9 | C10 | C20 | 119.7° | 109.0° |
| C10 | C9 | H14 | 107.7° | 108.4° |
| C10 | C9 | H15 | 107.7° | 108.4° |
| C9 | C10 | H16 | 106.9° | 109.2° |
| C9 | C10 | H17 | 106.9° | 109.4° |
| C17 | C16 | C15 | 119.9° | 119.8° |
| C16 | C17 | C18 | 120.9° | 120.3° |
| C17 | C16 | H20 | 120.1° | 120.1° |
| C16 | C17 | H21 | 119.5° | 120.2° |
| C16 | C15 | C19 | 119.9° | 119.7° |
| C16 | C15 | C14 | 118.6° | 119.6° |
| C15 | C16 | H20 | 120.1° | 120.1° |
| C6 | C5 | O1 | 122.4° | 120.4° |
| C5 | C6 | H9 | 107.2° | 108.4° |
| C23 | C24 | N4 | 116.8° | 120.0° |
| C24 | C23 | H32 | 106.4° | 109.4° |
| C17 | C18 | C13 | 121.6° | 120.3° |
| C18 | C17 | H21 | 119.6° | 119.5° |
| C17 | C18 | H22 | 119.2° | 118.3° |
| C24 | N4 | C28 | 125.3° | 116.5° |
| C24 | N4 | H40 | 117.3° | 121.3° |
| C15 | C19 | C20 | 125.7° | 120.4° |
| C19 | C15 | C14 | 121.5° | 120.6° |
| C15 | C19 | H23 | 117.2° | 119.8° |
| C19 | C20 | C10 | 125.7° | 120.6° |
| C20 | C19 | H23 | 117.1° | 119.8° |
| C19 | C20 | H24 | 117.1° | 119.8° |
| C20 | C10 | H16 | 106.9° | 109.5° |
| C20 | C10 | H17 | 106.8° | 109.8° |
| C10 | C20 | H24 | 117.1° | 119.6° |
| C15 | C14 | C13 | 122.1° | 120.2° |
| C15 | C14 | H19 | 118.9° | 120.6° |
| C18 | C13 | C14 | 116.9° | 119.7° |
| C18 | C13 | C12 | 121.1° | 121.7° |
| C13 | C18 | H22 | 119.2° | 121.3° |
| O2 | C11 | C4 | 125.2° | 118.6° |
| O2 | C11 | O4 | 126.0° | 119.2° |
| N4 | C28 | C29 | 113.3° | 110.7° |
| N4 | C28 | C30 | 110.8° | 110.7° |
| C28 | N4 | H40 | 117.3° | 122.2° |
| N4 | C28 | H41 | 107.6° | 108.1° |
| C14 | C13 | C12 | 122.0° | 118.6° |
| C13 | C14 | H19 | 118.9° | 119.2° |
| N1 | N2 | C4 | 109.9° | 107.9° |
| N2 | N1 | C29 | 118.0° | 121.1° |
| N2 | N1 | C3 | 113.9° | 119.1° |
| N1 | N2 | H1 | 109.3° | 100.6° |
| N2 | C4 | C11 | 106.8° | 108.0° |
| N2 | C4 | C1 | 111.4° | 109.0° |
| C4 | N2 | H1 | 109.4° | 100.7° |
| N2 | C4 | H8 | 110.4° | 108.6° |
| C13 | C12 | O4 | 110.7° | 112.1° |
| C13 | C12 | C22 | 115.1° | 110.4° |
| C13 | C12 | H18 | 108.4° | 108.2° |
| C29 | C28 | C30 | 111.2° | 111.4° |
| C28 | C29 | N1 | 119.4° | 124.6° |
| C28 | C29 | O6 | 119.8° | 117.7° |
| C29 | C28 | H41 | 106.8° | 107.8° |
| C30 | C28 | H41 | 106.9° | 108.0° |
| C28 | C30 | H42 | 109.5° | 109.4° |
| C28 | C30 | H43 | 109.4° | 109.4° |
| C28 | C30 | H44 | 109.5° | 109.5° |
| C29 | N1 | C3 | 128.1° | 119.8° |
| N1 | C29 | O6 | 120.7° | 117.7° |
| N1 | C3 | C2 | 108.3° | 108.9° |
| N1 | C3 | H6 | 109.8° | 109.6° |
| N1 | C3 | H7 | 109.8° | 110.2° |
| C3 | C2 | C1 | 108.7° | 109.5° |
| C3 | C2 | H4 | 109.7° | 109.4° |
| C3 | C2 | H5 | 109.7° | 109.5° |
| C2 | C3 | H6 | 109.8° | 109.3° |
| C2 | C3 | H7 | 109.8° | 109.5° |
| C4 | C11 | O4 | 108.8° | 122.2° |
| C11 | C4 | C1 | 108.9° | 109.3° |
| C11 | C4 | H8 | 109.8° | 110.9° |
| C11 | O4 | C12 | 118.2° | 117.1° |
| C4 | C1 | C2 | 111.1° | 110.9° |
| C4 | C1 | H2 | 109.1° | 109.2° |
| C4 | C1 | H3 | 109.1° | 109.3° |
| C1 | C4 | H8 | 109.6° | 111.0° |
| O4 | C12 | C22 | 104.5° | 109.5° |
| O4 | C12 | H18 | 109.5° | 108.5° |
| C22 | C12 | H18 | 108.5° | 107.9° |
| C12 | C22 | H28 | 109.5° | 109.4° |
| C12 | C22 | H29 | 109.4° | 109.5° |
| C12 | C22 | H30 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.0° |
| C2 | C1 | H3 | 109.1° | 109.1° |
| C1 | C2 | H4 | 109.7° | 109.4° |
| C1 | C2 | H5 | 109.7° | 109.2° |
| H2 | C1 | H3 | 109.5° | 109.3° |
| H4 | C2 | H5 | 109.5° | 109.7° |
| H6 | C3 | H7 | 109.4° | 109.4° |
| H42 | C30 | H43 | 109.5° | 109.5° |
| H42 | C30 | H44 | 109.4° | 109.5° |
| H43 | C30 | H44 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.4° |
| H34 | C26 | H36 | 109.4° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.4° |
| H37 | C27 | H39 | 109.5° | 109.4° |
| H38 | C27 | H39 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H12 | 109.5° | 109.6° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 110.1° |
| H16 | C10 | H17 | 109.5° | 109.9° |
| H25 | C21 | H26 | 109.4° | 109.5° |
| H25 | C21 | H27 | 109.4° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H28 | C22 | H30 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | O3 | C8 | C9 | 76.4° | 90.0° |
| C21 | O3 | C8 | C6 | 148.3° | 147.8° |
| C21 | O3 | C8 | H13 | 36.9° | 28.9° |
| O3 | C21 | H25 | H26 | 120.0° | 120.0° |
| O3 | C21 | H25 | H27 | 120.0° | 120.0° |
| O3 | C21 | H26 | H27 | 120.0° | 120.0° |
| O3 | C8 | C9 | C6 | 131.3° | 120.8° |
| O3 | C8 | C9 | H13 | 113.9° | 118.5° |
| O3 | C8 | C6 | H13 | 112.2° | 118.5° |
| O3 | C8 | C6 | C7 | 57.4° | 88.2° |
| O3 | C8 | C9 | C10 | 67.6° | 78.5° |
| O3 | C8 | C6 | C5 | 66.4° | 149.5° |
| O3 | C8 | C6 | H9 | 175.6° | 31.1° |
| O3 | C8 | C9 | H14 | 53.4° | 162.2° |
| O3 | C8 | C9 | H15 | 171.4° | 40.6° |
| C8 | O3 | C21 | H25 | 180.0° | 180.0° |
| C8 | O3 | C21 | H26 | 60.0° | 59.9° |
| C8 | O3 | C21 | H27 | 60.0° | 60.0° |
| C27 | C25 | C26 | C23 | 123.5° | 120.0° |
| C27 | C25 | C26 | H33 | 117.9° | 120.1° |
| C27 | C25 | C23 | H33 | 119.2° | 120.1° |
| C27 | C25 | C23 | N3 | 48.5° | 60.0° |
| C27 | C25 | C23 | C24 | 173.1° | 179.6° |
| C27 | C25 | C23 | H32 | 69.9° | 60.5° |
| C27 | C25 | C26 | H34 | 180.0° | 60.0° |
| C27 | C25 | C26 | H35 | 60.0° | 60.0° |
| C27 | C25 | C26 | H36 | 60.0° | 179.9° |
| C25 | C27 | H37 | H38 | 120.0° | 120.1° |
| C25 | C27 | H37 | H39 | 120.0° | 120.0° |
| C25 | C27 | H38 | H39 | 120.0° | 120.0° |
| C26 | C25 | C23 | H33 | 118.6° | 119.9° |
| C26 | C25 | C23 | N3 | 170.7° | 180.0° |
| C26 | C25 | C23 | C24 | 64.7° | 60.4° |
| C26 | C25 | C23 | H32 | 52.3° | 59.5° |
| C25 | C26 | H34 | H35 | 120.0° | 120.0° |
| C25 | C26 | H34 | H36 | 120.0° | 120.0° |
| C25 | C26 | H35 | H36 | 120.0° | 120.1° |
| C26 | C25 | C27 | H37 | 180.0° | 60.0° |
| C26 | C25 | C27 | H38 | 60.0° | 180.0° |
| C26 | C25 | C27 | H39 | 60.0° | 60.0° |
| C25 | C23 | C24 | O5 | 55.4° | 48.0° |
| C25 | C23 | N3 | C24 | 128.2° | 119.8° |
| C25 | C23 | N3 | H32 | 117.9° | 120.3° |
| C25 | C23 | N3 | C5 | 139.3° | 129.4° |
| C25 | C23 | C24 | H32 | 116.9° | 119.9° |
| C25 | C23 | C24 | N4 | 127.0° | 131.6° |
| C25 | C23 | N3 | H31 | 40.7° | 49.9° |
| C23 | C25 | C26 | H34 | 56.5° | 60.0° |
| C23 | C25 | C26 | H35 | 63.5° | 180.0° |
| C23 | C25 | C26 | H36 | 176.4° | 59.9° |
| C23 | C25 | C27 | H37 | 57.0° | 60.0° |
| C23 | C25 | C27 | H38 | 177.0° | 60.1° |
| C23 | C25 | C27 | H39 | 63.0° | 180.0° |
| C9 | C8 | C6 | H13 | 114.8° | 120.7° |
| C9 | C8 | C6 | C7 | 169.5° | 32.6° |
| C8 | C9 | C10 | H14 | 121.0° | 120.4° |
| C8 | C9 | C10 | H15 | 121.0° | 120.1° |
| C9 | C8 | C6 | C5 | 66.7° | 89.7° |
| C8 | C9 | C10 | C20 | 158.9° | 125.4° |
| C9 | C8 | C6 | H9 | 51.3° | 151.9° |
| C8 | C9 | H14 | H15 | 116.9° | 121.5° |
| C8 | C9 | C10 | H16 | 79.7° | 115.0° |
| C8 | C9 | C10 | H17 | 37.5° | 5.3° |
| C8 | C6 | C7 | C5 | 126.8° | 122.3° |
| C8 | C6 | C7 | H9 | 118.1° | 119.2° |
| C8 | C6 | C5 | N3 | 48.0° | 163.9° |
| C6 | C8 | C9 | C10 | 63.7° | 160.7° |
| C8 | C6 | C5 | H9 | 117.9° | 118.4° |
| C8 | C6 | C5 | O1 | 130.4° | 14.6° |
| C8 | C6 | C7 | H10 | 180.0° | 177.7° |
| C8 | C6 | C7 | H11 | 60.0° | 57.7° |
| C8 | C6 | C7 | H12 | 60.0° | 62.3° |
| C6 | C8 | C9 | H14 | 175.3° | 41.4° |
| C6 | C8 | C9 | H15 | 57.3° | 80.2° |
| C7 | C6 | C5 | N3 | 78.9° | 73.2° |
| C7 | C6 | C5 | H9 | 115.2° | 118.6° |
| C7 | C6 | C5 | O1 | 102.6° | 108.4° |
| C6 | C7 | H10 | H11 | 120.0° | 119.9° |
| C6 | C7 | H10 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H12 | 119.9° | 120.0° |
| C7 | C6 | C8 | H13 | 54.8° | 153.3° |
| O5 | C24 | C23 | N3 | 73.3° | 71.8° |
| O5 | C24 | C23 | N4 | 177.6° | 179.6° |
| O5 | C24 | N4 | C28 | 1.2° | 9.3° |
| O5 | C24 | N4 | H40 | 178.8° | 170.6° |
| O5 | C24 | C23 | H32 | 172.3° | 167.9° |
| C23 | N3 | C5 | H31 | 180.0° | 179.3° |
| C23 | N3 | C5 | C6 | 178.7° | 163.7° |
| N3 | C23 | C24 | H32 | 114.4° | 120.3° |
| N3 | C23 | C24 | N4 | 104.3° | 108.6° |
| C23 | N3 | C5 | O1 | 0.3° | 14.8° |
| N3 | C23 | C25 | H33 | 70.7° | 60.0° |
| N3 | C5 | C6 | O1 | 178.4° | 178.5° |
| C5 | N3 | C23 | C24 | 92.5° | 110.8° |
| C5 | N3 | C23 | H32 | 21.4° | 9.2° |
| N3 | C5 | C6 | H9 | 165.9° | 45.4° |
| C9 | C10 | C20 | C19 | 0.2° | 174.3° |
| C9 | C10 | C20 | H16 | 121.4° | 119.4° |
| C9 | C10 | C20 | H17 | 121.4° | 119.8° |
| C10 | C9 | C8 | H13 | 178.4° | 40.0° |
| C10 | C9 | H14 | H15 | 116.9° | 118.5° |
| C9 | C10 | H16 | H17 | 115.4° | 120.0° |
| C9 | C10 | C20 | H24 | 179.8° | 5.8° |
| C17 | C16 | C15 | H20 | 180.0° | 180.0° |
| C16 | C17 | C18 | H21 | 180.0° | 179.9° |
| C17 | C16 | C15 | C19 | 180.0° | 178.1° |
| C17 | C16 | C15 | C14 | 0.3° | 1.1° |
| C16 | C17 | C18 | C13 | 0.9° | 1.2° |
| C16 | C17 | C18 | H22 | 179.1° | 177.6° |
| C15 | C16 | C17 | C18 | 0.6° | 0.2° |
| C16 | C15 | C19 | C14 | 179.7° | 179.2° |
| C16 | C15 | C19 | C20 | 155.7° | 174.8° |
| C16 | C15 | C14 | C13 | 0.4° | 0.6° |
| C16 | C15 | C14 | H19 | 179.6° | 179.2° |
| C15 | C16 | C17 | H21 | 179.4° | 179.7° |
| C16 | C15 | C19 | H23 | 24.4° | 5.1° |
| C6 | C5 | N3 | H31 | 1.3° | 15.6° |
| C5 | C6 | C7 | H10 | 53.2° | 60.0° |
| C5 | C6 | C7 | H11 | 173.2° | 180.0° |
| C5 | C6 | C7 | H12 | 66.8° | 60.0° |
| C5 | C6 | C8 | H13 | 178.6° | 31.0° |
| C23 | C24 | N4 | C28 | 176.4° | 170.3° |
| C23 | C24 | N4 | H40 | 3.6° | 9.8° |
| C24 | C23 | N3 | H31 | 87.5° | 69.9° |
| C24 | C23 | C25 | H33 | 53.9° | 59.5° |
| C17 | C18 | C13 | H22 | 180.0° | 178.7° |
| C17 | C18 | C13 | C14 | 0.9° | 1.7° |
| C17 | C18 | C13 | C12 | 179.8° | 178.8° |
| C18 | C17 | C16 | H20 | 179.4° | 179.8° |
| C24 | N4 | C28 | H40 | 180.0° | 179.8° |
| C24 | N4 | C28 | C29 | 93.1° | 142.4° |
| C24 | N4 | C28 | C30 | 141.2° | 93.6° |
| C24 | N4 | C28 | H41 | 24.7° | 24.5° |
| N4 | C24 | C23 | H32 | 10.1° | 11.7° |
| C15 | C19 | C20 | H23 | 180.0° | 180.0° |
| C15 | C19 | C20 | C10 | 180.0° | 179.9° |
| C19 | C15 | C14 | C13 | 179.9° | 178.6° |
| C19 | C15 | C14 | H19 | 0.1° | 1.6° |
| C19 | C15 | C16 | H20 | 0.0° | 2.0° |
| C15 | C19 | C20 | H24 | 0.0° | 0.1° |
| C19 | C20 | C10 | H24 | 180.0° | 179.9° |
| C20 | C19 | C15 | C14 | 24.7° | 4.3° |
| C19 | C20 | C10 | H16 | 121.6° | 55.0° |
| C19 | C20 | C10 | H17 | 121.3° | 65.8° |
| C20 | C10 | C9 | H14 | 37.9° | 5.0° |
| C20 | C10 | C9 | H15 | 80.1° | 114.5° |
| C20 | C10 | H16 | H17 | 115.4° | 120.7° |
| C10 | C20 | C19 | H23 | 0.0° | 0.0° |
| O1 | C5 | N3 | H31 | 179.7° | 165.9° |
| O1 | C5 | C6 | H9 | 12.6° | 133.0° |
| C15 | C14 | C13 | C18 | 0.6° | 0.8° |
| C15 | C14 | C13 | H19 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 179.5° | 179.7° |
| C14 | C15 | C16 | H20 | 179.7° | 178.9° |
| C14 | C15 | C19 | H23 | 155.3° | 175.7° |
| C18 | C13 | C14 | C12 | 178.9° | 179.5° |
| C18 | C13 | C12 | O4 | 156.7° | 91.7° |
| C18 | C13 | C12 | C22 | 85.0° | 30.6° |
| C18 | C13 | C12 | H18 | 36.6° | 148.6° |
| C18 | C13 | C14 | H19 | 179.4° | 179.4° |
| C13 | C18 | C17 | H21 | 179.1° | 178.9° |
| O2 | C11 | C4 | N2 | 53.1° | 18.5° |
| O2 | C11 | C4 | O4 | 179.2° | 179.8° |
| O2 | C11 | C4 | C1 | 67.3° | 100.0° |
| O2 | C11 | O4 | C12 | 0.3° | 0.9° |
| O2 | C11 | C4 | H8 | 172.7° | 137.3° |
| N4 | C28 | C29 | C30 | 125.5° | 123.7° |
| N4 | C28 | C29 | H41 | 118.3° | 118.1° |
| N4 | C28 | C30 | H41 | 116.9° | 118.1° |
| N4 | C28 | C29 | N1 | 149.1° | 70.0° |
| N4 | C28 | C29 | O6 | 32.8° | 110.4° |
| N4 | C28 | C30 | H42 | 180.0° | 60.0° |
| N4 | C28 | C30 | H43 | 60.0° | 180.0° |
| N4 | C28 | C30 | H44 | 60.0° | 60.0° |
| C14 | C13 | C12 | O4 | 24.4° | 87.8° |
| C14 | C13 | C12 | C22 | 93.8° | 149.9° |
| C14 | C13 | C12 | H18 | 144.5° | 31.9° |
| C14 | C13 | C18 | H22 | 179.1° | 177.0° |
| N1 | N2 | C4 | H1 | 120.0° | 104.9° |
| N2 | N1 | C29 | C28 | 1.1° | 7.6° |
| N2 | N1 | C29 | C3 | 179.2° | 179.4° |
| N2 | N1 | C29 | O6 | 179.2° | 172.0° |
| N2 | N1 | C3 | C2 | 63.0° | 47.3° |
| N1 | N2 | C4 | C11 | 173.4° | 177.4° |
| N1 | N2 | C4 | C1 | 54.6° | 64.0° |
| N2 | N1 | C3 | H6 | 177.1° | 72.1° |
| N2 | N1 | C3 | H7 | 56.8° | 167.4° |
| N1 | N2 | C4 | H8 | 67.3° | 57.1° |
| C4 | N2 | N1 | C29 | 119.2° | 168.3° |
| C4 | N2 | N1 | C3 | 61.4° | 12.3° |
| N2 | C4 | C11 | C1 | 120.4° | 118.4° |
| N2 | C4 | C11 | H8 | 119.7° | 118.9° |
| N2 | C4 | C11 | O4 | 126.2° | 161.7° |
| N2 | C4 | C1 | H8 | 122.4° | 119.6° |
| N2 | C4 | C1 | C2 | 52.9° | 53.3° |
| N2 | C4 | C1 | H2 | 67.4° | 173.3° |
| N2 | C4 | C1 | H3 | 173.1° | 67.1° |
| C13 | C12 | O4 | C11 | 71.4° | 126.5° |
| C13 | C12 | O4 | C22 | 124.5° | 122.9° |
| C13 | C12 | O4 | H18 | 119.4° | 119.5° |
| C13 | C12 | C22 | H18 | 121.6° | 118.1° |
| C12 | C13 | C14 | H19 | 0.5° | 0.1° |
| C12 | C13 | C18 | H22 | 0.2° | 2.4° |
| C13 | C12 | C22 | H28 | 180.0° | 176.2° |
| C13 | C12 | C22 | H29 | 60.0° | 56.1° |
| C13 | C12 | C22 | H30 | 60.0° | 63.9° |
| C29 | C28 | C30 | H41 | 116.2° | 118.2° |
| C28 | C29 | N1 | O6 | 178.1° | 179.6° |
| C28 | C29 | N1 | C3 | 179.7° | 173.1° |
| C29 | C28 | N4 | H40 | 86.9° | 37.8° |
| C29 | C28 | C30 | H42 | 53.1° | 63.6° |
| C29 | C28 | C30 | H43 | 173.1° | 56.3° |
| C29 | C28 | C30 | H44 | 66.9° | 176.4° |
| C30 | C28 | C29 | N1 | 85.5° | 53.7° |
| C30 | C28 | C29 | O6 | 92.7° | 125.9° |
| C30 | C28 | N4 | H40 | 38.8° | 86.3° |
| C28 | C30 | H42 | H43 | 120.0° | 119.9° |
| C28 | C30 | H42 | H44 | 120.0° | 120.0° |
| C28 | C30 | H43 | H44 | 120.0° | 120.0° |
| C29 | N1 | C3 | C2 | 117.7° | 132.1° |
| C29 | N1 | N2 | H1 | 120.7° | 86.6° |
| C29 | N1 | C3 | H6 | 2.1° | 108.5° |
| C29 | N1 | C3 | H7 | 122.4° | 11.9° |
| N1 | C29 | C28 | H41 | 30.8° | 172.0° |
| C3 | N1 | C29 | O6 | 1.6° | 7.3° |
| N1 | C3 | C2 | H6 | 119.8° | 119.7° |
| N1 | C3 | C2 | H7 | 119.8° | 120.5° |
| N1 | C3 | C2 | C1 | 57.1° | 54.7° |
| C3 | N1 | N2 | H1 | 58.6° | 92.7° |
| N1 | C3 | C2 | H4 | 62.8° | 65.2° |
| N1 | C3 | C2 | H5 | 177.0° | 174.4° |
| N1 | C3 | H6 | H7 | 120.5° | 120.9° |
| O6 | C29 | C28 | H41 | 151.1° | 7.6° |
| C3 | C2 | C1 | C4 | 53.8° | 6.1° |
| C3 | C2 | C1 | H4 | 119.9° | 119.9° |
| C3 | C2 | C1 | H5 | 119.9° | 119.9° |
| C3 | C2 | C1 | H2 | 66.4° | 114.1° |
| C3 | C2 | C1 | H3 | 174.1° | 126.5° |
| C3 | C2 | H4 | H5 | 120.3° | 120.2° |
| C2 | C3 | H6 | H7 | 120.5° | 119.9° |
| C11 | C4 | C1 | H8 | 120.1° | 122.6° |
| C4 | C11 | O4 | C12 | 178.9° | 178.9° |
| C11 | C4 | C1 | C2 | 170.4° | 171.1° |
| C11 | C4 | N2 | H1 | 53.3° | 77.7° |
| C11 | C4 | C1 | H2 | 50.2° | 68.8° |
| C11 | C4 | C1 | H3 | 69.4° | 50.7° |
| O4 | C11 | C4 | C1 | 113.5° | 79.8° |
| C11 | O4 | C12 | C22 | 164.0° | 110.6° |
| O4 | C11 | C4 | H8 | 6.5° | 42.8° |
| C11 | O4 | C12 | H18 | 48.0° | 7.0° |
| C4 | C1 | C2 | H2 | 120.2° | 120.2° |
| C4 | C1 | C2 | H3 | 120.2° | 120.5° |
| C1 | C4 | N2 | H1 | 65.4° | 40.9° |
| C4 | C1 | H2 | H3 | 119.3° | 119.6° |
| C4 | C1 | C2 | H4 | 66.1° | 113.9° |
| C4 | C1 | C2 | H5 | 173.7° | 126.0° |
| O4 | C12 | C22 | H18 | 116.7° | 118.0° |
| O4 | C12 | C22 | H28 | 58.3° | 60.0° |
| O4 | C12 | C22 | H29 | 178.4° | 180.0° |
| O4 | C12 | C22 | H30 | 61.7° | 60.0° |
| C12 | C22 | H28 | H29 | 120.0° | 120.0° |
| C12 | C22 | H28 | H30 | 120.0° | 120.0° |
| C12 | C22 | H29 | H30 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 119.3° | 119.2° |
| C1 | C2 | H4 | H5 | 120.4° | 119.8° |
| C1 | C2 | C3 | H6 | 177.0° | 65.0° |
| C1 | C2 | C3 | H7 | 62.7° | 175.2° |
| C2 | C1 | C4 | H8 | 69.5° | 66.3° |
| H1 | N2 | C4 | H8 | 172.6° | 162.0° |
| H40 | N4 | C28 | H41 | 155.3° | 155.7° |
| H31 | N3 | C23 | H32 | 158.6° | 170.1° |
| H2 | C1 | C2 | H4 | 173.7° | 125.9° |
| H2 | C1 | C2 | H5 | 53.5° | 5.8° |
| H2 | C1 | C4 | H8 | 170.2° | 53.8° |
| H3 | C1 | C2 | H4 | 54.2° | 6.6° |
| H3 | C1 | C2 | H5 | 66.1° | 113.5° |
| H3 | C1 | C4 | H8 | 50.7° | 173.3° |
| H4 | C2 | C3 | H6 | 57.1° | 175.1° |
| H4 | C2 | C3 | H7 | 177.4° | 55.3° |
| H5 | C2 | C3 | H6 | 63.2° | 54.8° |
| H5 | C2 | C3 | H7 | 57.1° | 65.0° |
| H41 | C28 | C30 | H42 | 63.1° | 178.2° |
| H41 | C28 | C30 | H43 | 56.9° | 61.9° |
| H41 | C28 | C30 | H44 | 176.9° | 58.2° |
| H42 | C30 | H43 | H44 | 120.0° | 120.1° |
| H32 | C23 | C25 | H33 | 170.9° | 179.4° |
| H33 | C25 | C26 | H34 | 62.1° | 180.0° |
| H33 | C25 | C26 | H35 | 177.9° | 60.0° |
| H33 | C25 | C26 | H36 | 57.8° | 60.0° |
| H33 | C25 | C27 | H37 | 62.2° | 180.0° |
| H33 | C25 | C27 | H38 | 57.8° | 60.0° |
| H33 | C25 | C27 | H39 | 177.8° | 60.0° |
| H34 | C26 | H35 | H36 | 119.9° | 119.9° |
| H37 | C27 | H38 | H39 | 120.0° | 119.9° |
| H9 | C6 | C7 | H10 | 61.9° | 58.5° |
| H9 | C6 | C7 | H11 | 58.1° | 61.5° |
| H9 | C6 | C7 | H12 | 178.0° | 178.5° |
| H9 | C6 | C8 | H13 | 63.4° | 87.4° |
| H10 | C7 | H11 | H12 | 120.0° | 120.1° |
| H13 | C8 | C9 | H14 | 60.6° | 79.3° |
| H13 | C8 | C9 | H15 | 57.4° | 159.1° |
| H14 | C9 | C10 | H16 | 159.3° | 124.6° |
| H14 | C9 | C10 | H17 | 83.5° | 115.0° |
| H15 | C9 | C10 | H16 | 41.3° | 5.1° |
| H15 | C9 | C10 | H17 | 158.5° | 125.4° |
| H16 | C10 | C20 | H24 | 58.4° | 125.2° |
| H17 | C10 | C20 | H24 | 58.7° | 114.0° |
| H18 | C12 | C22 | H28 | 58.4° | 58.0° |
| H18 | C12 | C22 | H29 | 61.6° | 62.0° |
| H18 | C12 | C22 | H30 | 178.4° | 178.0° |
| H20 | C16 | C17 | H21 | 0.6° | 0.3° |
| H21 | C17 | C18 | H22 | 0.9° | 2.3° |
| H23 | C19 | C20 | H24 | 179.9° | 179.9° |
| H25 | C21 | H26 | H27 | 119.9° | 120.0° |
| H28 | C22 | H29 | H30 | 120.0° | 120.0° |
