PRD_000902
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C27 | C1 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C26 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | O3 | doub | 1.21Å | 1.22Å | |
| C5 | N2 | sing | 1.35Å | 1.34Å | |
| C25 | N5 | sing | 1.46Å | 1.46Å | |
| N2 | C6 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| N5 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | O7 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C10 | sing | 1.51Å | 1.51Å | |
| O2 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| N3 | C11 | sing | 1.47Å | 1.45Å | |
| C23 | C17 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.31Å | 1.32Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | O6 | sing | 1.43Å | 1.44Å | |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 111.0° | 109.5° |
| C31 | C30 | H46 | 109.1° | 109.5° |
| C31 | C30 | H47 | 109.1° | 109.4° |
| C30 | C31 | H48 | 109.5° | 109.5° |
| C30 | C31 | H49 | 109.5° | 109.4° |
| C30 | C31 | H50 | 109.4° | 109.5° |
| C1 | C27 | C28 | 108.7° | 109.5° |
| C27 | C1 | N1 | 115.6° | 120.0° |
| C27 | C1 | O1 | 120.1° | 120.0° |
| C1 | C27 | H40 | 109.7° | 109.5° |
| C1 | C27 | H41 | 109.7° | 109.5° |
| C27 | C28 | C29 | 111.9° | 109.5° |
| C28 | C27 | H40 | 109.6° | 109.5° |
| C28 | C27 | H41 | 109.7° | 109.5° |
| C27 | C28 | H42 | 108.9° | 109.5° |
| C27 | C28 | H43 | 108.9° | 109.4° |
| C4 | C3 | C2 | 111.1° | 109.5° |
| C4 | C3 | C26 | 110.0° | 109.5° |
| C4 | C3 | H32 | 107.6° | 109.4° |
| C3 | C4 | H36 | 109.5° | 109.5° |
| C3 | C4 | H37 | 109.4° | 109.4° |
| C3 | C4 | H38 | 109.5° | 109.4° |
| C30 | C29 | C28 | 111.1° | 109.5° |
| C30 | C29 | H44 | 109.0° | 109.5° |
| C30 | C29 | H45 | 109.1° | 109.5° |
| C29 | C30 | H46 | 109.1° | 109.5° |
| C29 | C30 | H47 | 109.1° | 109.4° |
| C29 | C28 | H42 | 108.9° | 109.5° |
| C29 | C28 | H43 | 108.9° | 109.5° |
| C28 | C29 | H44 | 109.1° | 109.5° |
| C28 | C29 | H45 | 109.0° | 109.4° |
| N1 | C1 | O1 | 124.2° | 120.0° |
| C1 | N1 | C2 | 124.3° | 120.0° |
| C1 | N1 | H39 | 117.8° | 120.1° |
| N1 | C2 | C3 | 109.0° | 109.4° |
| N1 | C2 | C5 | 110.3° | 109.5° |
| N1 | C2 | H31 | 109.2° | 109.5° |
| C2 | N1 | H39 | 117.8° | 120.0° |
| C2 | C3 | C26 | 112.7° | 109.5° |
| C3 | C2 | C5 | 111.4° | 109.5° |
| C3 | C2 | H31 | 108.3° | 109.5° |
| C2 | C3 | H32 | 107.6° | 109.5° |
| C26 | C3 | H32 | 107.6° | 109.5° |
| C3 | C26 | H33 | 109.5° | 109.4° |
| C3 | C26 | H34 | 109.5° | 109.5° |
| C3 | C26 | H35 | 109.5° | 109.5° |
| C2 | C5 | O3 | 119.4° | 120.0° |
| C2 | C5 | N2 | 117.4° | 119.9° |
| C5 | C2 | H31 | 108.6° | 109.5° |
| O3 | C5 | N2 | 123.2° | 120.0° |
| C5 | N2 | C6 | 122.8° | 120.0° |
| C5 | N2 | H30 | 118.6° | 120.0° |
| C25 | N5 | C24 | 115.0° | 120.0° |
| C25 | N5 | C9 | 122.6° | 120.0° |
| N5 | C25 | H1 | 109.5° | 109.5° |
| N5 | C25 | H2 | 109.5° | 109.5° |
| N5 | C25 | H3 | 109.5° | 109.4° |
| N2 | C6 | C7 | 111.6° | 109.5° |
| N2 | C6 | C10 | 112.8° | 109.5° |
| N2 | C6 | H11 | 108.1° | 109.5° |
| C6 | N2 | H30 | 118.6° | 120.0° |
| C9 | C8 | C7 | 110.8° | 109.5° |
| C8 | C9 | N5 | 117.3° | 120.0° |
| C8 | C9 | O7 | 119.8° | 120.0° |
| C9 | C8 | H7 | 109.1° | 109.4° |
| C9 | C8 | H8 | 109.2° | 109.5° |
| C8 | C7 | C6 | 113.0° | 109.5° |
| C7 | C8 | H7 | 109.1° | 109.5° |
| C7 | C8 | H8 | 109.1° | 109.5° |
| C8 | C7 | H9 | 108.6° | 109.5° |
| C8 | C7 | H10 | 108.6° | 109.5° |
| C24 | N5 | C9 | 122.4° | 120.0° |
| N5 | C24 | H4 | 109.5° | 109.5° |
| N5 | C24 | H5 | 109.5° | 109.5° |
| N5 | C24 | H6 | 109.4° | 109.4° |
| N5 | C9 | O7 | 122.9° | 120.0° |
| C7 | C6 | C10 | 109.2° | 109.4° |
| C6 | C7 | H9 | 108.6° | 109.5° |
| C6 | C7 | H10 | 108.6° | 109.5° |
| C7 | C6 | H11 | 107.3° | 109.4° |
| C6 | C10 | O2 | 121.0° | 120.0° |
| C6 | C10 | N3 | 115.8° | 120.0° |
| C10 | C6 | H11 | 107.6° | 109.5° |
| O2 | C10 | N3 | 123.3° | 120.0° |
| C10 | N3 | C11 | 123.8° | 120.0° |
| C10 | N3 | H12 | 118.1° | 120.0° |
| C15 | C13 | C14 | 109.8° | 109.5° |
| C15 | C13 | C12 | 115.0° | 109.5° |
| C15 | C13 | H23 | 107.3° | 109.5° |
| C13 | C15 | H24 | 109.5° | 109.5° |
| C13 | C15 | H25 | 109.5° | 109.5° |
| C13 | C15 | H26 | 109.5° | 109.5° |
| N3 | C11 | C12 | 108.3° | 109.5° |
| N3 | C11 | C16 | 110.9° | 109.4° |
| C11 | N3 | H12 | 118.1° | 120.0° |
| N3 | C11 | H13 | 109.1° | 109.5° |
| C23 | C17 | C18 | 118.2° | 120.0° |
| C23 | C17 | C16 | 121.0° | 120.0° |
| C17 | C23 | H16 | 109.5° | 109.5° |
| C17 | C23 | H17 | 109.5° | 109.5° |
| C17 | C23 | H18 | 109.5° | 109.5° |
| C12 | C11 | C16 | 112.4° | 109.5° |
| C11 | C12 | C13 | 116.6° | 109.5° |
| C12 | C11 | H13 | 108.1° | 109.5° |
| C11 | C12 | H21 | 107.7° | 109.5° |
| C11 | C12 | H22 | 107.7° | 109.4° |
| C11 | C16 | C17 | 110.6° | 109.4° |
| C11 | C16 | O6 | 108.5° | 109.5° |
| C16 | C11 | H13 | 108.0° | 109.5° |
| C11 | C16 | H14 | 109.1° | 109.5° |
| C14 | C13 | C12 | 109.7° | 109.5° |
| C14 | C13 | H23 | 107.3° | 109.4° |
| C13 | C14 | H27 | 109.5° | 109.5° |
| C13 | C14 | H28 | 109.5° | 109.5° |
| C13 | C14 | H29 | 109.5° | 109.4° |
| C13 | C12 | H21 | 107.7° | 109.5° |
| C13 | C12 | H22 | 107.7° | 109.4° |
| C12 | C13 | H23 | 107.3° | 109.4° |
| C18 | C17 | C16 | 120.9° | 120.0° |
| C17 | C18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H20 | 120.0° | 120.0° |
| C17 | C16 | O6 | 109.0° | 109.4° |
| C17 | C16 | H14 | 109.2° | 109.5° |
| O6 | C16 | H14 | 110.4° | 109.5° |
| C16 | O6 | H15 | 109.5° | 114.0° |
| H1 | C25 | H2 | 109.4° | 109.5° |
| H1 | C25 | H3 | 109.5° | 109.5° |
| H2 | C25 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H6 | 109.4° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H18 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H19 | C18 | H20 | 120.0° | 119.9° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H26 | 109.4° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| H27 | C14 | H28 | 109.5° | 109.5° |
| H27 | C14 | H29 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.4° |
| H33 | C26 | H35 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.4° | 109.5° |
| H36 | C4 | H37 | 109.5° | 109.5° |
| H36 | C4 | H38 | 109.5° | 109.5° |
| H37 | C4 | H38 | 109.5° | 109.5° |
| H40 | C27 | H41 | 109.5° | 109.4° |
| H42 | C28 | H43 | 109.4° | 109.5° |
| H44 | C29 | H45 | 109.5° | 109.4° |
| H46 | C30 | H47 | 109.5° | 109.5° |
| H48 | C31 | H49 | 109.5° | 109.5° |
| H48 | C31 | H50 | 109.5° | 109.5° |
| H49 | C31 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H46 | 120.2° | 120.1° |
| C31 | C30 | C29 | H47 | 120.2° | 119.9° |
| C31 | C30 | C29 | C28 | 149.5° | 180.0° |
| C31 | C30 | C29 | H44 | 29.2° | 59.9° |
| C31 | C30 | C29 | H45 | 90.3° | 60.0° |
| C31 | C30 | H46 | H47 | 119.3° | 120.0° |
| C30 | C31 | H48 | H49 | 120.0° | 119.9° |
| C30 | C31 | H48 | H50 | 120.0° | 120.0° |
| C30 | C31 | H49 | H50 | 120.0° | 119.9° |
| C1 | C27 | C28 | H40 | 119.9° | 120.0° |
| C1 | C27 | C28 | H41 | 119.8° | 120.0° |
| C1 | C27 | C28 | C29 | 159.8° | 180.0° |
| C27 | C1 | N1 | O1 | 179.7° | 180.0° |
| C27 | C1 | N1 | C2 | 179.5° | 180.0° |
| C27 | C1 | N1 | H39 | 0.5° | 0.0° |
| C1 | C27 | H40 | H41 | 120.4° | 119.9° |
| C1 | C27 | C28 | H42 | 79.8° | 60.0° |
| C1 | C27 | C28 | H43 | 39.4° | 60.0° |
| C27 | C28 | C29 | C30 | 151.1° | 180.0° |
| C27 | C28 | C29 | H42 | 120.4° | 120.0° |
| C27 | C28 | C29 | H43 | 120.4° | 120.0° |
| C28 | C27 | C1 | N1 | 117.6° | 180.0° |
| C28 | C27 | C1 | O1 | 62.1° | 0.0° |
| C28 | C27 | H40 | H41 | 120.4° | 120.0° |
| C27 | C28 | H42 | H43 | 118.9° | 119.9° |
| C27 | C28 | C29 | H44 | 30.8° | 59.9° |
| C27 | C28 | C29 | H45 | 88.7° | 60.0° |
| C4 | C3 | C2 | N1 | 68.2° | 179.1° |
| C4 | C3 | C2 | C26 | 124.0° | 120.0° |
| C4 | C3 | C2 | H32 | 117.6° | 120.0° |
| C4 | C3 | C26 | H32 | 117.0° | 120.0° |
| C4 | C3 | C2 | C5 | 169.9° | 61.0° |
| C4 | C3 | C2 | H31 | 50.6° | 59.1° |
| C4 | C3 | C26 | H33 | 180.0° | 60.0° |
| C4 | C3 | C26 | H34 | 60.0° | 59.9° |
| C4 | C3 | C26 | H35 | 60.0° | 180.0° |
| C3 | C4 | H36 | H37 | 120.0° | 120.0° |
| C3 | C4 | H36 | H38 | 120.0° | 120.0° |
| C3 | C4 | H37 | H38 | 120.0° | 119.9° |
| C30 | C29 | C28 | H44 | 120.2° | 120.1° |
| C30 | C29 | C28 | H45 | 120.3° | 120.0° |
| C30 | C29 | C28 | H42 | 30.7° | 60.0° |
| C30 | C29 | C28 | H43 | 88.6° | 60.0° |
| C30 | C29 | H44 | H45 | 119.3° | 120.0° |
| C29 | C30 | H46 | H47 | 119.3° | 119.9° |
| C29 | C30 | C31 | H48 | 180.0° | 59.9° |
| C29 | C30 | C31 | H49 | 60.0° | 60.0° |
| C29 | C30 | C31 | H50 | 60.0° | 180.0° |
| C29 | C28 | C27 | H40 | 39.9° | 60.0° |
| C29 | C28 | C27 | H41 | 80.4° | 60.0° |
| C29 | C28 | H42 | H43 | 118.9° | 120.0° |
| C28 | C29 | H44 | H45 | 119.2° | 119.9° |
| C28 | C29 | C30 | H46 | 90.3° | 59.9° |
| C28 | C29 | C30 | H47 | 29.2° | 60.0° |
| C1 | N1 | C2 | H39 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 168.5° | 85.0° |
| C1 | N1 | C2 | C5 | 68.9° | 155.0° |
| C1 | N1 | C2 | H31 | 50.3° | 35.0° |
| N1 | C1 | C27 | H40 | 2.3° | 60.0° |
| N1 | C1 | C27 | H41 | 122.6° | 60.0° |
| O1 | C1 | N1 | C2 | 0.2° | 0.0° |
| O1 | C1 | N1 | H39 | 179.8° | 180.0° |
| O1 | C1 | C27 | H40 | 178.0° | 120.0° |
| O1 | C1 | C27 | H41 | 57.7° | 120.1° |
| N1 | C2 | C3 | C5 | 121.9° | 120.0° |
| N1 | C2 | C3 | H31 | 118.7° | 120.0° |
| N1 | C2 | C3 | C26 | 167.9° | 60.9° |
| N1 | C2 | C5 | H31 | 119.7° | 120.0° |
| N1 | C2 | C5 | O3 | 47.7° | 26.4° |
| N1 | C2 | C5 | N2 | 131.9° | 153.7° |
| N1 | C2 | C3 | H32 | 49.4° | 59.1° |
| C2 | C3 | C26 | H32 | 118.5° | 120.0° |
| C3 | C2 | C5 | H31 | 119.1° | 120.0° |
| C3 | C2 | C5 | O3 | 73.4° | 93.6° |
| C3 | C2 | C5 | N2 | 107.0° | 86.4° |
| C2 | C3 | C26 | H33 | 55.4° | 60.0° |
| C2 | C3 | C26 | H34 | 64.6° | 179.9° |
| C2 | C3 | C26 | H35 | 175.5° | 60.0° |
| C2 | C3 | C4 | H36 | 180.0° | 179.8° |
| C2 | C3 | C4 | H37 | 60.0° | 60.2° |
| C2 | C3 | C4 | H38 | 60.0° | 59.7° |
| C3 | C2 | N1 | H39 | 11.5° | 95.0° |
| C26 | C3 | C2 | C5 | 45.9° | 59.0° |
| C26 | C3 | C2 | H31 | 73.4° | 179.1° |
| C3 | C26 | H33 | H34 | 120.0° | 119.9° |
| C3 | C26 | H33 | H35 | 120.0° | 120.0° |
| C3 | C26 | H34 | H35 | 120.0° | 120.1° |
| C26 | C3 | C4 | H36 | 54.5° | 60.2° |
| C26 | C3 | C4 | H37 | 65.5° | 59.8° |
| C26 | C3 | C4 | H38 | 174.5° | 179.7° |
| C2 | C5 | O3 | N2 | 179.6° | 180.0° |
| C2 | C5 | N2 | C6 | 179.6° | 176.2° |
| C2 | C5 | N2 | H30 | 0.4° | 3.9° |
| C5 | C2 | C3 | H32 | 72.6° | 179.1° |
| C5 | C2 | N1 | H39 | 111.1° | 25.0° |
| O3 | C5 | N2 | C6 | 0.0° | 3.8° |
| O3 | C5 | N2 | H30 | 179.9° | 176.1° |
| O3 | C5 | C2 | H31 | 167.4° | 146.4° |
| C5 | N2 | C6 | H30 | 180.0° | 180.0° |
| C5 | N2 | C6 | C7 | 127.8° | 85.0° |
| C5 | N2 | C6 | C10 | 108.8° | 155.0° |
| C5 | N2 | C6 | H11 | 10.0° | 35.0° |
| N2 | C5 | C2 | H31 | 12.2° | 33.6° |
| C25 | N5 | C9 | C8 | 107.6° | 0.2° |
| C25 | N5 | C24 | C9 | 179.9° | 180.0° |
| C25 | N5 | C9 | O7 | 71.7° | 180.0° |
| N5 | C25 | H1 | H2 | 120.0° | 120.1° |
| N5 | C25 | H1 | H3 | 120.0° | 119.9° |
| N5 | C25 | H2 | H3 | 120.0° | 119.9° |
| C25 | N5 | C24 | H4 | 180.0° | 180.0° |
| C25 | N5 | C24 | H5 | 60.0° | 60.0° |
| C25 | N5 | C24 | H6 | 60.0° | 60.0° |
| N2 | C6 | C7 | C8 | 37.6° | 65.0° |
| N2 | C6 | C7 | C10 | 125.4° | 120.0° |
| N2 | C6 | C7 | H11 | 118.3° | 120.0° |
| N2 | C6 | C10 | H11 | 119.2° | 120.0° |
| N2 | C6 | C10 | O2 | 22.3° | 0.0° |
| N2 | C6 | C10 | N3 | 157.9° | 180.0° |
| N2 | C6 | C7 | H9 | 158.1° | 175.0° |
| N2 | C6 | C7 | H10 | 82.9° | 55.0° |
| C9 | C8 | C7 | H7 | 120.2° | 120.0° |
| C9 | C8 | C7 | H8 | 120.2° | 120.0° |
| C8 | C9 | N5 | C24 | 72.5° | 179.7° |
| C8 | C9 | N5 | O7 | 179.3° | 179.8° |
| C9 | C8 | C7 | C6 | 120.7° | 180.0° |
| C9 | C8 | H7 | H8 | 119.4° | 120.0° |
| C9 | C8 | C7 | H9 | 0.1° | 60.0° |
| C9 | C8 | C7 | H10 | 118.8° | 60.0° |
| C7 | C8 | C9 | N5 | 127.9° | 179.8° |
| C7 | C8 | C9 | O7 | 52.8° | 0.0° |
| C8 | C7 | C6 | H9 | 120.5° | 120.0° |
| C8 | C7 | C6 | H10 | 120.5° | 120.0° |
| C8 | C7 | C6 | C10 | 163.0° | 175.0° |
| C7 | C8 | H7 | H8 | 119.4° | 120.0° |
| C8 | C7 | H9 | H10 | 118.4° | 120.0° |
| C8 | C7 | C6 | H11 | 80.7° | 55.0° |
| C24 | N5 | C9 | O7 | 108.2° | 0.1° |
| C24 | N5 | C25 | H1 | 180.0° | 90.0° |
| C24 | N5 | C25 | H2 | 60.0° | 150.0° |
| C24 | N5 | C25 | H3 | 60.0° | 30.0° |
| N5 | C24 | H4 | H5 | 120.0° | 120.0° |
| N5 | C24 | H4 | H6 | 120.0° | 120.0° |
| N5 | C24 | H5 | H6 | 120.0° | 120.0° |
| C9 | N5 | C25 | H1 | 0.1° | 90.0° |
| C9 | N5 | C25 | H2 | 119.9° | 30.1° |
| C9 | N5 | C25 | H3 | 120.1° | 150.0° |
| C9 | N5 | C24 | H4 | 0.1° | 0.0° |
| C9 | N5 | C24 | H5 | 120.2° | 120.0° |
| C9 | N5 | C24 | H6 | 119.9° | 120.0° |
| N5 | C9 | C8 | H7 | 111.9° | 60.3° |
| N5 | C9 | C8 | H8 | 7.8° | 59.8° |
| O7 | C9 | C8 | H7 | 67.4° | 120.0° |
| O7 | C9 | C8 | H8 | 172.9° | 120.0° |
| C7 | C6 | C10 | H11 | 116.2° | 119.9° |
| C7 | C6 | C10 | O2 | 102.4° | 120.0° |
| C7 | C6 | C10 | N3 | 77.5° | 59.9° |
| C6 | C7 | C8 | H7 | 119.2° | 60.0° |
| C6 | C7 | C8 | H8 | 0.4° | 60.0° |
| C6 | C7 | H9 | H10 | 118.4° | 120.0° |
| C7 | C6 | N2 | H30 | 52.2° | 95.0° |
| C6 | C10 | O2 | N3 | 179.8° | 180.0° |
| C6 | C10 | N3 | C11 | 179.7° | 180.0° |
| C10 | C6 | C7 | H9 | 76.5° | 55.0° |
| C10 | C6 | C7 | H10 | 42.4° | 65.0° |
| C6 | C10 | N3 | H12 | 0.3° | 0.0° |
| C10 | C6 | N2 | H30 | 71.2° | 25.0° |
| O2 | C10 | N3 | C11 | 0.5° | 0.1° |
| O2 | C10 | C6 | H11 | 141.4° | 120.0° |
| O2 | C10 | N3 | H12 | 179.5° | 180.0° |
| C10 | N3 | C11 | H12 | 180.0° | 179.9° |
| C10 | N3 | C11 | C12 | 121.8° | 155.0° |
| C10 | N3 | C11 | C16 | 114.4° | 85.0° |
| N3 | C10 | C6 | H11 | 38.7° | 60.0° |
| C10 | N3 | C11 | H13 | 4.4° | 35.0° |
| C15 | C13 | C12 | C11 | 30.4° | 174.9° |
| C15 | C13 | C14 | C12 | 127.4° | 120.0° |
| C15 | C13 | C14 | H23 | 116.4° | 120.0° |
| C15 | C13 | C12 | H23 | 119.3° | 120.0° |
| C15 | C13 | C12 | H21 | 90.6° | 54.8° |
| C15 | C13 | C12 | H22 | 151.5° | 65.1° |
| C13 | C15 | H24 | H25 | 120.0° | 120.0° |
| C13 | C15 | H24 | H26 | 120.0° | 120.1° |
| C13 | C15 | H25 | H26 | 120.0° | 120.0° |
| C15 | C13 | C14 | H27 | 180.0° | 180.0° |
| C15 | C13 | C14 | H28 | 60.0° | 60.0° |
| C15 | C13 | C14 | H29 | 60.0° | 60.0° |
| N3 | C11 | C12 | C16 | 122.9° | 119.9° |
| N3 | C11 | C12 | H13 | 118.0° | 120.0° |
| N3 | C11 | C16 | H13 | 119.5° | 120.0° |
| N3 | C11 | C12 | C13 | 101.8° | 63.7° |
| N3 | C11 | C16 | C17 | 54.4° | 180.0° |
| N3 | C11 | C16 | O6 | 65.1° | 60.0° |
| N3 | C11 | C16 | H14 | 174.6° | 60.0° |
| N3 | C11 | C12 | H21 | 19.3° | 56.4° |
| N3 | C11 | C12 | H22 | 137.2° | 176.4° |
| C23 | C17 | C16 | C11 | 59.2° | 65.0° |
| C23 | C17 | C18 | C16 | 179.6° | 180.0° |
| C23 | C17 | C16 | O6 | 178.4° | 55.0° |
| C23 | C17 | C16 | H14 | 60.9° | 175.0° |
| C17 | C23 | H16 | H17 | 120.0° | 120.0° |
| C17 | C23 | H16 | H18 | 120.0° | 120.1° |
| C17 | C23 | H17 | H18 | 120.0° | 120.0° |
| C23 | C17 | C18 | H19 | 179.6° | 0.0° |
| C23 | C17 | C18 | H20 | 0.4° | 180.0° |
| C12 | C11 | C16 | H13 | 119.2° | 120.0° |
| C11 | C12 | C13 | C14 | 154.8° | 65.0° |
| C11 | C12 | C13 | H21 | 121.0° | 120.1° |
| C11 | C12 | C13 | H22 | 121.0° | 119.9° |
| C12 | C11 | C16 | C17 | 175.8° | 60.0° |
| C12 | C11 | C16 | O6 | 56.3° | 180.0° |
| C12 | C11 | N3 | H12 | 58.2° | 25.0° |
| C12 | C11 | C16 | H14 | 64.0° | 59.9° |
| C11 | C12 | H21 | H22 | 116.8° | 120.0° |
| C11 | C12 | C13 | H23 | 88.8° | 54.9° |
| C16 | C11 | C12 | C13 | 135.4° | 176.3° |
| C11 | C16 | C17 | C18 | 121.2° | 115.0° |
| C11 | C16 | C17 | O6 | 119.2° | 120.0° |
| C11 | C16 | C17 | H14 | 120.1° | 120.0° |
| C11 | C16 | O6 | H14 | 119.5° | 120.1° |
| C16 | C11 | N3 | H12 | 65.6° | 95.0° |
| C11 | C16 | O6 | H15 | 180.0° | 60.1° |
| C16 | C11 | C12 | H21 | 103.6° | 63.6° |
| C16 | C11 | C12 | H22 | 14.3° | 56.4° |
| C14 | C13 | C12 | H23 | 116.3° | 119.9° |
| C14 | C13 | C12 | H21 | 33.8° | 174.9° |
| C14 | C13 | C12 | H22 | 84.1° | 54.9° |
| C14 | C13 | C15 | H24 | 180.0° | 55.3° |
| C14 | C13 | C15 | H25 | 60.0° | 64.7° |
| C14 | C13 | C15 | H26 | 60.0° | 175.4° |
| C13 | C14 | H27 | H28 | 120.0° | 120.0° |
| C13 | C14 | H27 | H29 | 120.0° | 120.0° |
| C13 | C14 | H28 | H29 | 120.0° | 120.0° |
| C13 | C12 | C11 | H13 | 16.3° | 56.3° |
| C13 | C12 | H21 | H22 | 116.8° | 119.9° |
| C12 | C13 | C15 | H24 | 55.6° | 64.7° |
| C12 | C13 | C15 | H25 | 64.4° | 175.3° |
| C12 | C13 | C15 | H26 | 175.6° | 55.3° |
| C12 | C13 | C14 | H27 | 52.6° | 59.9° |
| C12 | C13 | C14 | H28 | 172.6° | 179.9° |
| C12 | C13 | C14 | H29 | 67.4° | 60.0° |
| C18 | C17 | C16 | O6 | 2.0° | 125.0° |
| C18 | C17 | C16 | H14 | 118.7° | 5.0° |
| C18 | C17 | C23 | H16 | 180.0° | 0.0° |
| C18 | C17 | C23 | H17 | 60.0° | 120.0° |
| C18 | C17 | C23 | H18 | 60.0° | 120.1° |
| C17 | C18 | H19 | H20 | 180.0° | 180.0° |
| C17 | C16 | O6 | H14 | 120.0° | 120.0° |
| C17 | C16 | C11 | H13 | 65.1° | 60.0° |
| C17 | C16 | O6 | H15 | 59.4° | 180.0° |
| C16 | C17 | C23 | H16 | 0.4° | 180.0° |
| C16 | C17 | C23 | H17 | 119.6° | 60.0° |
| C16 | C17 | C23 | H18 | 120.4° | 59.9° |
| C16 | C17 | C18 | H19 | 0.0° | 180.0° |
| C16 | C17 | C18 | H20 | 180.0° | 0.0° |
| O6 | C16 | C11 | H13 | 175.4° | 59.9° |
| H1 | C25 | H2 | H3 | 120.0° | 120.0° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H7 | C8 | C7 | H9 | 120.3° | 179.9° |
| H7 | C8 | C7 | H10 | 1.4° | 60.0° |
| H8 | C8 | C7 | H9 | 120.1° | 60.0° |
| H8 | C8 | C7 | H10 | 121.0° | 180.0° |
| H9 | C7 | C6 | H11 | 39.8° | 65.0° |
| H10 | C7 | C6 | H11 | 158.8° | 175.0° |
| H11 | C6 | N2 | H30 | 170.0° | 145.0° |
| H12 | N3 | C11 | H13 | 175.6° | 145.0° |
| H13 | C11 | C16 | H14 | 55.1° | 180.0° |
| H13 | C11 | C12 | H21 | 137.3° | 176.4° |
| H13 | C11 | C12 | H22 | 104.8° | 63.6° |
| H14 | C16 | O6 | H15 | 60.5° | 60.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
| H21 | C12 | C13 | H23 | 150.1° | 65.2° |
| H22 | C12 | C13 | H23 | 32.2° | 174.8° |
| H23 | C13 | C15 | H24 | 63.6° | 175.3° |
| H23 | C13 | C15 | H25 | 176.4° | 55.3° |
| H23 | C13 | C15 | H26 | 56.4° | 64.6° |
| H23 | C13 | C14 | H27 | 63.6° | 60.0° |
| H23 | C13 | C14 | H28 | 56.4° | 60.0° |
| H23 | C13 | C14 | H29 | 176.4° | 179.9° |
| H24 | C15 | H25 | H26 | 120.0° | 120.0° |
| H27 | C14 | H28 | H29 | 120.0° | 120.0° |
| H31 | C2 | C3 | H32 | 168.1° | 60.9° |
| H31 | C2 | N1 | H39 | 129.7° | 145.0° |
| H32 | C3 | C26 | H33 | 63.0° | 179.9° |
| H32 | C3 | C26 | H34 | 177.0° | 60.0° |
| H32 | C3 | C26 | H35 | 57.0° | 60.0° |
| H32 | C3 | C4 | H36 | 62.5° | 59.8° |
| H32 | C3 | C4 | H37 | 177.5° | 179.8° |
| H32 | C3 | C4 | H38 | 57.5° | 60.3° |
| H33 | C26 | H34 | H35 | 120.0° | 120.0° |
| H36 | C4 | H37 | H38 | 120.0° | 120.1° |
| H40 | C27 | C28 | H42 | 160.3° | 180.0° |
| H40 | C27 | C28 | H43 | 80.5° | 60.0° |
| H41 | C27 | C28 | H42 | 40.0° | 60.1° |
| H41 | C27 | C28 | H43 | 159.3° | 180.0° |
| H42 | C28 | C29 | H44 | 89.6° | 180.0° |
| H42 | C28 | C29 | H45 | 150.9° | 60.1° |
| H43 | C28 | C29 | H44 | 151.2° | 60.0° |
| H43 | C28 | C29 | H45 | 31.7° | 179.9° |
| H44 | C29 | C30 | H46 | 149.4° | 180.0° |
| H44 | C29 | C30 | H47 | 91.1° | 60.0° |
| H45 | C29 | C30 | H46 | 29.9° | 60.1° |
| H45 | C29 | C30 | H47 | 149.4° | 180.0° |
| H46 | C30 | C31 | H48 | 59.8° | 180.0° |
| H46 | C30 | C31 | H49 | 60.2° | 60.0° |
| H46 | C30 | C31 | H50 | 179.8° | 59.9° |
| H47 | C30 | C31 | H48 | 59.8° | 60.0° |
| H47 | C30 | C31 | H49 | 179.8° | 180.0° |
| H47 | C30 | C31 | H50 | 60.2° | 60.1° |
| H48 | C31 | H49 | H50 | 120.0° | 120.1° |
