38N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | N5 | sing | 1.47Å | 1.48Å | |
| C4 | N5 | sing | 1.47Å | 1.46Å | |
| C4 | C2 | sing | 1.51Å | 1.54Å | |
| C7 | O8 | sing | 1.43Å | 1.47Å | |
| N5 | C10 | sing | 1.47Å | 1.47Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| O8 | C9 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | O14 | doub | 1.21Å | 1.23Å | |
| C13 | N15 | sing | 1.35Å | 1.35Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| N15 | C16 | sing | 1.46Å | 1.47Å | |
| C25 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| O22 | C21 | sing | 1.36Å | 1.37Å | |
| O22 | C23 | sing | 1.43Å | 1.45Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.40Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | C26 | sing | 1.51Å | 1.54Å | |
| O27 | C26 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N28 | sing | 1.35Å | 1.35Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.50Å | |
| N28 | C29 | sing | 1.46Å | 1.48Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C41 | C46 | sing | 1.53Å | 1.55Å | |
| C41 | C30 | sing | 1.53Å | 1.55Å | |
| C38 | C37 | sing | 1.53Å | 1.56Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C31 | sing | 1.51Å | 1.57Å | |
| C39 | O40 | sing | 1.43Å | 1.42Å | |
| C39 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | C31 | sing | 1.51Å | 1.64Å | |
| C31 | O32 | doub | 1.21Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N15 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C46 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| O40 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | N5 | 114.4° | 109.3° |
| C6 | C7 | O8 | 110.8° | 109.2° |
| C7 | C6 | H6 | 108.2° | 109.5° |
| C7 | C6 | H7 | 108.2° | 109.5° |
| C6 | C7 | H10 | 109.1° | 109.5° |
| C6 | C7 | H11 | 109.1° | 109.5° |
| C6 | N5 | C4 | 108.8° | 111.0° |
| C6 | N5 | C10 | 108.3° | 110.7° |
| N5 | C6 | H6 | 108.2° | 109.5° |
| N5 | C6 | H7 | 108.2° | 109.5° |
| N5 | C4 | C2 | 106.0° | 109.5° |
| C4 | N5 | C10 | 112.3° | 111.0° |
| N5 | C4 | H1 | 110.4° | 109.5° |
| N5 | C4 | H2 | 110.3° | 109.5° |
| C4 | C2 | O3 | 120.5° | 120.0° |
| C4 | C2 | N1 | 115.9° | 120.0° |
| C2 | C4 | H1 | 110.3° | 109.5° |
| C2 | C4 | H2 | 110.3° | 109.4° |
| C7 | O8 | C9 | 116.2° | 113.8° |
| O8 | C7 | H10 | 109.1° | 109.5° |
| O8 | C7 | H11 | 109.1° | 109.5° |
| N5 | C10 | C9 | 104.4° | 109.3° |
| N5 | C10 | H4 | 110.7° | 109.5° |
| N5 | C10 | H5 | 110.7° | 109.5° |
| O3 | C2 | N1 | 123.6° | 120.0° |
| C2 | N1 | C11 | 121.2° | 120.0° |
| C2 | N1 | H12 | 119.4° | 120.0° |
| N1 | C11 | C12 | 109.7° | 109.5° |
| N1 | C11 | C13 | 110.6° | 109.5° |
| C11 | N1 | H12 | 119.4° | 120.0° |
| N1 | C11 | H13 | 109.4° | 109.5° |
| O8 | C9 | C10 | 107.3° | 109.2° |
| O8 | C9 | H8 | 110.0° | 109.6° |
| O8 | C9 | H9 | 110.0° | 109.5° |
| C9 | C10 | H4 | 110.7° | 109.5° |
| C9 | C10 | H5 | 110.8° | 109.5° |
| C10 | C9 | H8 | 110.0° | 109.5° |
| C10 | C9 | H9 | 110.0° | 109.5° |
| C12 | C11 | C13 | 110.1° | 109.5° |
| C12 | C11 | H13 | 108.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C13 | O14 | 120.7° | 120.0° |
| C11 | C13 | N15 | 115.0° | 120.0° |
| C13 | C11 | H13 | 108.5° | 109.4° |
| O14 | C13 | N15 | 124.4° | 120.0° |
| C13 | N15 | C16 | 122.5° | 120.0° |
| C13 | N15 | H17 | 118.8° | 120.0° |
| C25 | C24 | C21 | 120.8° | 119.9° |
| C24 | C25 | C18 | 120.4° | 120.0° |
| C24 | C25 | H21 | 119.8° | 119.9° |
| C25 | C24 | H22 | 119.6° | 120.1° |
| C24 | C21 | O22 | 117.4° | 120.0° |
| C24 | C21 | C20 | 118.4° | 119.9° |
| C21 | C24 | H22 | 119.6° | 120.0° |
| N15 | C16 | C17 | 111.9° | 109.5° |
| N15 | C16 | C26 | 108.9° | 109.5° |
| C16 | N15 | H17 | 118.7° | 120.0° |
| N15 | C16 | H18 | 110.5° | 109.5° |
| C25 | C18 | C17 | 121.2° | 119.9° |
| C25 | C18 | C19 | 119.0° | 120.1° |
| C18 | C25 | H21 | 119.8° | 120.0° |
| C21 | O22 | C23 | 121.6° | 117.0° |
| O22 | C21 | C20 | 124.1° | 120.1° |
| O22 | C23 | H23 | 109.5° | 109.5° |
| O22 | C23 | H24 | 109.5° | 109.5° |
| O22 | C23 | H25 | 109.5° | 109.5° |
| C21 | C20 | C19 | 120.6° | 120.0° |
| C21 | C20 | H26 | 119.7° | 120.0° |
| C17 | C18 | C19 | 119.8° | 119.9° |
| C18 | C17 | C16 | 109.3° | 109.5° |
| C18 | C17 | H19 | 109.5° | 109.5° |
| C18 | C17 | H20 | 109.5° | 109.5° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C18 | C19 | H27 | 119.6° | 120.0° |
| C17 | C16 | C26 | 105.9° | 109.5° |
| C17 | C16 | H18 | 110.0° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C26 | O27 | 120.6° | 120.0° |
| C16 | C26 | N28 | 115.3° | 120.1° |
| C26 | C16 | H18 | 109.6° | 109.5° |
| O27 | C26 | N28 | 124.1° | 120.0° |
| C19 | C20 | H26 | 119.7° | 120.0° |
| C20 | C19 | H27 | 119.7° | 120.0° |
| C26 | N28 | C29 | 121.9° | 120.0° |
| C26 | N28 | H28 | 119.1° | 120.0° |
| C44 | C43 | C42 | 109.6° | 109.5° |
| C43 | C44 | C45 | 108.1° | 109.5° |
| C44 | C43 | H35 | 109.4° | 109.4° |
| C44 | C43 | H36 | 109.4° | 109.5° |
| C43 | C44 | H37 | 109.8° | 109.5° |
| C43 | C44 | H38 | 109.8° | 109.5° |
| C43 | C42 | C41 | 108.5° | 109.5° |
| C43 | C42 | H33 | 109.7° | 109.5° |
| C43 | C42 | H34 | 109.7° | 109.5° |
| C42 | C43 | H35 | 109.4° | 109.5° |
| C42 | C43 | H36 | 109.4° | 109.5° |
| C44 | C45 | C46 | 109.9° | 109.4° |
| C45 | C44 | H37 | 109.8° | 109.5° |
| C45 | C44 | H38 | 109.8° | 109.4° |
| C44 | C45 | H39 | 109.4° | 109.5° |
| C44 | C45 | H40 | 109.4° | 109.5° |
| C42 | C41 | C46 | 111.8° | 109.4° |
| C42 | C41 | C30 | 109.6° | 109.5° |
| C42 | C41 | H32 | 110.1° | 109.5° |
| C41 | C42 | H33 | 109.7° | 109.5° |
| C41 | C42 | H34 | 109.7° | 109.5° |
| N28 | C29 | C30 | 111.5° | 109.5° |
| N28 | C29 | C31 | 110.9° | 109.5° |
| C29 | N28 | H28 | 119.0° | 120.0° |
| N28 | C29 | H29 | 109.8° | 109.5° |
| C45 | C46 | C41 | 113.4° | 109.5° |
| C46 | C45 | H39 | 109.3° | 109.5° |
| C46 | C45 | H40 | 109.4° | 109.4° |
| C45 | C46 | H41 | 108.5° | 109.5° |
| C45 | C46 | H42 | 108.5° | 109.4° |
| C46 | C41 | C30 | 106.6° | 109.5° |
| C46 | C41 | H32 | 109.4° | 109.4° |
| C41 | C46 | H41 | 108.5° | 109.5° |
| C41 | C46 | H42 | 108.5° | 109.5° |
| C41 | C30 | C29 | 112.7° | 109.5° |
| C41 | C30 | H30 | 108.6° | 109.5° |
| C41 | C30 | H31 | 108.7° | 109.5° |
| C30 | C41 | H32 | 109.4° | 109.5° |
| C38 | C37 | C39 | 102.7° | 109.5° |
| C38 | C37 | C31 | 109.5° | 109.4° |
| C38 | C37 | H45 | 111.7° | 109.4° |
| C37 | C38 | H46 | 109.5° | 109.4° |
| C37 | C38 | H47 | 109.5° | 109.5° |
| C37 | C38 | H48 | 109.5° | 109.4° |
| C30 | C29 | C31 | 106.9° | 109.5° |
| C30 | C29 | H29 | 109.1° | 109.4° |
| C29 | C30 | H30 | 108.7° | 109.4° |
| C29 | C30 | H31 | 108.7° | 109.5° |
| C29 | C31 | C37 | 118.8° | 120.0° |
| C29 | C31 | O32 | 107.2° | 120.0° |
| C31 | C29 | H29 | 108.6° | 109.4° |
| O40 | C39 | C37 | 106.9° | 109.5° |
| O40 | C39 | H49 | 110.1° | 109.5° |
| O40 | C39 | H50 | 110.1° | 109.5° |
| C39 | O40 | H51 | 109.5° | 114.0° |
| C39 | C37 | C31 | 110.1° | 109.5° |
| C39 | C37 | H45 | 112.0° | 109.5° |
| C37 | C39 | H49 | 110.1° | 109.5° |
| C37 | C39 | H50 | 110.1° | 109.5° |
| C37 | C31 | O32 | 110.8° | 120.0° |
| C31 | C37 | H45 | 110.6° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.6° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.6° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.4° | 109.4° |
| H30 | C30 | H31 | 109.4° | 109.4° |
| H33 | C42 | H34 | 109.5° | 109.5° |
| H35 | C43 | H36 | 109.5° | 109.5° |
| H37 | C44 | H38 | 109.5° | 109.5° |
| H39 | C45 | H40 | 109.5° | 109.5° |
| H41 | C46 | H42 | 109.5° | 109.4° |
| H46 | C38 | H47 | 109.5° | 109.5° |
| H46 | C38 | H48 | 109.5° | 109.5° |
| H47 | C38 | H48 | 109.5° | 109.5° |
| H49 | C39 | H50 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | N5 | H6 | 120.7° | 120.0° |
| C7 | C6 | N5 | H7 | 120.7° | 119.9° |
| C7 | C6 | N5 | C4 | 175.8° | 177.6° |
| C6 | C7 | O8 | H10 | 120.2° | 119.9° |
| C6 | C7 | O8 | H11 | 120.2° | 120.0° |
| C7 | C6 | N5 | C10 | 53.5° | 58.7° |
| C6 | C7 | O8 | C9 | 41.3° | 58.7° |
| C7 | C6 | H6 | H7 | 117.7° | 120.1° |
| C6 | C7 | H10 | H11 | 119.4° | 120.2° |
| C6 | N5 | C4 | C10 | 119.9° | 123.6° |
| C6 | N5 | C4 | C2 | 149.5° | 66.4° |
| N5 | C6 | C7 | O8 | 37.8° | 56.9° |
| C6 | N5 | C10 | C9 | 69.0° | 58.6° |
| C6 | N5 | C4 | H1 | 30.1° | 173.6° |
| C6 | N5 | C4 | H2 | 91.0° | 53.6° |
| C6 | N5 | C10 | H4 | 171.9° | 178.6° |
| C6 | N5 | C10 | H5 | 50.3° | 61.3° |
| N5 | C6 | H6 | H7 | 117.8° | 120.1° |
| N5 | C6 | C7 | H10 | 158.0° | 63.0° |
| N5 | C6 | C7 | H11 | 82.4° | 176.8° |
| N5 | C4 | C2 | H1 | 119.5° | 120.0° |
| N5 | C4 | C2 | H2 | 119.4° | 120.0° |
| N5 | C4 | C2 | O3 | 62.2° | 0.1° |
| N5 | C4 | C2 | N1 | 118.2° | 179.8° |
| C4 | N5 | C10 | C9 | 170.9° | 177.6° |
| N5 | C4 | H1 | H2 | 121.6° | 120.0° |
| C4 | N5 | C10 | H4 | 51.7° | 57.7° |
| C4 | N5 | C10 | H5 | 69.9° | 62.5° |
| C4 | N5 | C6 | H6 | 63.5° | 62.4° |
| C4 | N5 | C6 | H7 | 55.1° | 57.7° |
| C2 | C4 | N5 | C10 | 90.6° | 170.0° |
| C4 | C2 | O3 | N1 | 179.6° | 179.7° |
| C4 | C2 | N1 | C11 | 178.9° | 179.7° |
| C2 | C4 | H1 | H2 | 121.6° | 120.0° |
| C4 | C2 | N1 | H12 | 1.1° | 0.2° |
| C7 | O8 | C9 | C10 | 59.5° | 58.7° |
| O8 | C7 | C6 | H6 | 158.5° | 63.1° |
| O8 | C7 | C6 | H7 | 83.0° | 176.7° |
| C7 | O8 | C9 | H8 | 179.1° | 178.6° |
| C7 | O8 | C9 | H9 | 60.2° | 61.2° |
| O8 | C7 | H10 | H11 | 119.4° | 120.1° |
| N5 | C10 | C9 | O8 | 71.3° | 56.8° |
| N5 | C10 | C9 | H4 | 119.2° | 119.9° |
| N5 | C10 | C9 | H5 | 119.2° | 120.0° |
| C10 | N5 | C4 | H1 | 150.0° | 50.0° |
| C10 | N5 | C4 | H2 | 28.9° | 70.0° |
| N5 | C10 | H4 | H5 | 122.3° | 120.1° |
| C10 | N5 | C6 | H6 | 174.2° | 61.3° |
| C10 | N5 | C6 | H7 | 67.3° | 178.5° |
| N5 | C10 | C9 | H8 | 169.0° | 176.8° |
| N5 | C10 | C9 | H9 | 48.3° | 63.1° |
| O3 | C2 | N1 | C11 | 0.7° | 0.0° |
| O3 | C2 | C4 | H1 | 57.3° | 120.0° |
| O3 | C2 | C4 | H2 | 178.4° | 120.0° |
| O3 | C2 | N1 | H12 | 179.3° | 179.9° |
| C2 | N1 | C11 | H12 | 180.0° | 179.9° |
| C2 | N1 | C11 | C12 | 158.0° | 85.0° |
| C2 | N1 | C11 | C13 | 80.4° | 155.0° |
| N1 | C2 | C4 | H1 | 122.4° | 59.7° |
| N1 | C2 | C4 | H2 | 1.3° | 60.3° |
| C2 | N1 | C11 | H13 | 39.1° | 35.0° |
| N1 | C11 | C12 | C13 | 122.0° | 120.0° |
| N1 | C11 | C12 | H13 | 119.4° | 120.0° |
| N1 | C11 | C13 | H13 | 120.0° | 120.0° |
| N1 | C11 | C13 | O14 | 35.0° | 0.1° |
| N1 | C11 | C13 | N15 | 144.8° | 180.0° |
| N1 | C11 | C12 | H14 | 180.0° | 60.0° |
| N1 | C11 | C12 | H15 | 60.0° | 180.0° |
| N1 | C11 | C12 | H16 | 60.0° | 60.0° |
| O8 | C9 | C10 | H8 | 119.7° | 120.0° |
| O8 | C9 | C10 | H9 | 119.7° | 119.9° |
| O8 | C9 | C10 | H4 | 169.5° | 176.8° |
| O8 | C9 | C10 | H5 | 47.8° | 63.1° |
| O8 | C9 | H8 | H9 | 121.0° | 120.1° |
| C9 | O8 | C7 | H10 | 161.5° | 61.3° |
| C9 | O8 | C7 | H11 | 78.9° | 178.6° |
| C9 | C10 | H4 | H5 | 122.4° | 120.1° |
| C10 | C9 | H8 | H9 | 121.0° | 120.1° |
| C12 | C11 | C13 | H13 | 118.6° | 120.0° |
| C12 | C11 | C13 | O14 | 86.4° | 119.9° |
| C12 | C11 | C13 | N15 | 93.8° | 60.0° |
| C12 | C11 | N1 | H12 | 22.0° | 95.1° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 120.1° |
| C11 | C12 | H15 | H16 | 120.0° | 120.1° |
| C11 | C13 | O14 | N15 | 179.8° | 179.9° |
| C11 | C13 | N15 | C16 | 177.8° | 180.0° |
| C13 | C11 | N1 | H12 | 99.6° | 25.0° |
| C13 | C11 | C12 | H14 | 58.0° | 60.0° |
| C13 | C11 | C12 | H15 | 178.1° | 60.0° |
| C13 | C11 | C12 | H16 | 62.0° | 180.0° |
| C11 | C13 | N15 | H17 | 2.2° | 0.1° |
| O14 | C13 | N15 | C16 | 2.4° | 0.1° |
| O14 | C13 | C11 | H13 | 154.9° | 120.1° |
| O14 | C13 | N15 | H17 | 177.6° | 180.0° |
| C13 | N15 | C16 | H17 | 180.0° | 179.9° |
| C13 | N15 | C16 | C17 | 119.3° | 85.0° |
| C13 | N15 | C16 | C26 | 124.0° | 155.0° |
| N15 | C13 | C11 | H13 | 24.8° | 60.1° |
| C13 | N15 | C16 | H18 | 3.6° | 35.0° |
| C25 | C24 | C21 | H22 | 180.0° | 180.0° |
| C24 | C25 | C18 | H21 | 180.0° | 180.0° |
| C25 | C24 | C21 | O22 | 180.0° | 180.0° |
| C25 | C24 | C21 | C20 | 0.0° | 0.0° |
| C24 | C25 | C18 | C17 | 179.3° | 180.0° |
| C24 | C25 | C18 | C19 | 0.8° | 0.3° |
| C21 | C24 | C25 | C18 | 0.4° | 0.0° |
| C24 | C21 | O22 | C20 | 180.0° | 180.0° |
| C24 | C21 | O22 | C23 | 178.8° | 180.0° |
| C24 | C21 | C20 | C19 | 0.1° | 0.2° |
| C21 | C24 | C25 | H21 | 179.6° | 180.0° |
| C24 | C21 | C20 | H26 | 180.0° | 180.0° |
| N15 | C16 | C17 | C18 | 74.6° | 65.0° |
| N15 | C16 | C17 | C26 | 118.5° | 120.0° |
| N15 | C16 | C17 | H18 | 123.2° | 120.0° |
| N15 | C16 | C26 | H18 | 120.9° | 120.0° |
| N15 | C16 | C26 | O27 | 21.2° | 0.1° |
| N15 | C16 | C26 | N28 | 161.4° | 180.0° |
| N15 | C16 | C17 | H19 | 165.4° | 55.0° |
| N15 | C16 | C17 | H20 | 45.3° | 175.0° |
| C25 | C18 | C17 | C19 | 178.4° | 179.7° |
| C25 | C18 | C17 | C16 | 91.7° | 89.7° |
| C25 | C18 | C19 | C20 | 0.8° | 0.5° |
| C25 | C18 | C17 | H19 | 148.4° | 150.3° |
| C25 | C18 | C17 | H20 | 28.3° | 30.3° |
| C18 | C25 | C24 | H22 | 179.6° | 180.0° |
| C25 | C18 | C19 | H27 | 179.2° | 179.7° |
| O22 | C21 | C20 | C19 | 179.9° | 179.7° |
| O22 | C21 | C24 | H22 | 0.0° | 0.0° |
| C21 | O22 | C23 | H23 | 180.0° | 60.0° |
| C21 | O22 | C23 | H24 | 60.0° | 60.0° |
| C21 | O22 | C23 | H25 | 60.0° | 180.0° |
| O22 | C21 | C20 | H26 | 0.1° | 0.0° |
| C23 | O22 | C21 | C20 | 1.1° | 0.0° |
| O22 | C23 | H23 | H24 | 120.0° | 120.0° |
| O22 | C23 | H23 | H25 | 120.0° | 120.1° |
| O22 | C23 | H24 | H25 | 120.0° | 120.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.5° |
| C21 | C20 | C19 | H26 | 180.0° | 179.8° |
| C20 | C21 | C24 | H22 | 180.0° | 180.0° |
| C21 | C20 | C19 | H27 | 179.7° | 179.7° |
| C18 | C17 | C16 | H19 | 120.0° | 120.0° |
| C18 | C17 | C16 | H20 | 120.0° | 120.0° |
| C18 | C17 | C16 | C26 | 166.9° | 175.0° |
| C17 | C18 | C19 | C20 | 179.2° | 179.8° |
| C18 | C17 | C16 | H18 | 48.5° | 55.0° |
| C18 | C17 | H19 | H20 | 120.1° | 120.0° |
| C17 | C18 | C25 | H21 | 0.8° | 0.0° |
| C17 | C18 | C19 | H27 | 0.8° | 0.0° |
| C19 | C18 | C17 | C16 | 89.9° | 90.0° |
| C18 | C19 | C20 | H27 | 180.0° | 179.8° |
| C19 | C18 | C17 | H19 | 30.1° | 30.0° |
| C19 | C18 | C17 | H20 | 150.2° | 150.0° |
| C19 | C18 | C25 | H21 | 179.2° | 179.8° |
| C18 | C19 | C20 | H26 | 179.6° | 179.8° |
| C17 | C16 | C26 | H18 | 118.6° | 120.0° |
| C17 | C16 | C26 | O27 | 99.2° | 120.1° |
| C17 | C16 | C26 | N28 | 78.1° | 60.0° |
| C17 | C16 | N15 | H17 | 60.7° | 95.0° |
| C16 | C17 | H19 | H20 | 120.1° | 120.0° |
| C16 | C26 | O27 | N28 | 177.1° | 179.9° |
| C16 | C26 | N28 | C29 | 178.0° | 180.0° |
| C26 | C16 | N15 | H17 | 56.1° | 25.0° |
| C26 | C16 | C17 | H19 | 46.9° | 65.0° |
| C26 | C16 | C17 | H20 | 73.2° | 55.0° |
| C16 | C26 | N28 | H28 | 1.9° | 0.1° |
| O27 | C26 | N28 | C29 | 0.8° | 0.0° |
| O27 | C26 | C16 | H18 | 142.1° | 120.0° |
| O27 | C26 | N28 | H28 | 179.2° | 180.0° |
| C26 | N28 | C29 | H28 | 180.0° | 180.0° |
| C26 | N28 | C29 | C30 | 117.3° | 155.0° |
| C26 | N28 | C29 | C31 | 123.8° | 85.0° |
| N28 | C26 | C16 | H18 | 40.5° | 60.0° |
| C26 | N28 | C29 | H29 | 3.8° | 35.0° |
| C44 | C43 | C42 | H35 | 120.0° | 119.9° |
| C44 | C43 | C42 | H36 | 120.0° | 120.0° |
| C43 | C44 | C45 | H37 | 119.8° | 120.1° |
| C43 | C44 | C45 | H38 | 119.8° | 120.0° |
| C44 | C43 | C42 | C41 | 63.7° | 60.0° |
| C43 | C44 | C45 | C46 | 58.7° | 60.0° |
| C44 | C43 | C42 | H33 | 176.4° | 60.0° |
| C44 | C43 | C42 | H34 | 56.1° | 180.0° |
| C44 | C43 | H35 | H36 | 120.0° | 120.0° |
| C43 | C44 | H37 | H38 | 120.6° | 120.0° |
| C43 | C44 | C45 | H39 | 178.8° | 180.0° |
| C43 | C44 | C45 | H40 | 61.4° | 59.9° |
| C42 | C43 | C44 | C45 | 66.0° | 60.1° |
| C43 | C42 | C41 | H33 | 119.8° | 120.0° |
| C43 | C42 | C41 | H34 | 119.9° | 120.0° |
| C43 | C42 | C41 | C46 | 54.7° | 60.0° |
| C43 | C42 | C41 | C30 | 172.6° | 180.0° |
| C43 | C42 | C41 | H32 | 67.0° | 60.0° |
| C43 | C42 | H33 | H34 | 120.4° | 120.0° |
| C42 | C43 | H35 | H36 | 119.9° | 120.0° |
| C42 | C43 | C44 | H37 | 53.8° | 60.0° |
| C42 | C43 | C44 | H38 | 174.2° | 180.0° |
| C44 | C45 | C46 | H39 | 120.1° | 120.0° |
| C44 | C45 | C46 | H40 | 120.1° | 120.0° |
| C44 | C45 | C46 | C41 | 51.7° | 60.0° |
| C45 | C44 | C43 | H35 | 54.0° | 180.0° |
| C45 | C44 | C43 | H36 | 174.0° | 59.9° |
| C45 | C44 | H37 | H38 | 120.7° | 119.9° |
| C44 | C45 | H39 | H40 | 119.8° | 120.0° |
| C44 | C45 | C46 | H41 | 68.9° | 180.0° |
| C44 | C45 | C46 | H42 | 172.3° | 60.0° |
| C42 | C41 | C46 | C45 | 50.3° | 60.0° |
| C42 | C41 | C46 | C30 | 119.8° | 120.0° |
| C42 | C41 | C46 | H32 | 122.1° | 119.9° |
| C42 | C41 | C30 | H32 | 120.7° | 120.0° |
| C42 | C41 | C30 | C29 | 68.6° | 65.0° |
| C42 | C41 | C30 | H30 | 51.9° | 175.0° |
| C42 | C41 | C30 | H31 | 171.0° | 55.0° |
| C41 | C42 | H33 | H34 | 120.4° | 120.0° |
| C41 | C42 | C43 | H35 | 56.3° | 180.0° |
| C41 | C42 | C43 | H36 | 176.2° | 60.0° |
| C42 | C41 | C46 | H41 | 70.2° | 180.0° |
| C42 | C41 | C46 | H42 | 170.9° | 60.0° |
| N28 | C29 | C30 | C41 | 57.1° | 65.0° |
| N28 | C29 | C30 | C31 | 121.3° | 120.0° |
| N28 | C29 | C30 | H29 | 121.4° | 120.0° |
| N28 | C29 | C31 | H29 | 120.7° | 120.0° |
| N28 | C29 | C31 | C37 | 78.3° | 165.0° |
| N28 | C29 | C31 | O32 | 48.2° | 15.0° |
| N28 | C29 | C30 | H30 | 177.5° | 55.0° |
| N28 | C29 | C30 | H31 | 63.5° | 175.0° |
| C45 | C46 | C41 | H41 | 120.6° | 120.0° |
| C45 | C46 | C41 | H42 | 120.6° | 120.0° |
| C45 | C46 | C41 | C30 | 170.1° | 180.0° |
| C45 | C46 | C41 | H32 | 71.8° | 60.0° |
| C46 | C45 | C44 | H37 | 61.0° | 60.1° |
| C46 | C45 | C44 | H38 | 178.5° | 180.0° |
| C46 | C45 | H39 | H40 | 119.8° | 120.0° |
| C45 | C46 | H41 | H42 | 118.2° | 119.9° |
| C46 | C41 | C30 | H32 | 118.1° | 120.0° |
| C46 | C41 | C30 | C29 | 170.3° | 175.0° |
| C46 | C41 | C30 | H30 | 69.2° | 55.0° |
| C46 | C41 | C30 | H31 | 49.8° | 65.0° |
| C46 | C41 | C42 | H33 | 174.5° | 60.0° |
| C46 | C41 | C42 | H34 | 65.2° | 180.0° |
| C41 | C46 | C45 | H39 | 171.8° | 180.0° |
| C41 | C46 | C45 | H40 | 68.4° | 60.0° |
| C41 | C46 | H41 | H42 | 118.2° | 120.0° |
| C41 | C30 | C29 | H30 | 120.5° | 120.0° |
| C41 | C30 | C29 | H31 | 120.5° | 120.1° |
| C41 | C30 | C29 | C31 | 178.4° | 175.0° |
| C41 | C30 | C29 | H29 | 64.4° | 55.1° |
| C41 | C30 | H30 | H31 | 118.5° | 120.0° |
| C30 | C41 | C42 | H33 | 67.5° | 60.0° |
| C30 | C41 | C42 | H34 | 52.8° | 60.0° |
| C30 | C41 | C46 | H41 | 49.5° | 60.0° |
| C30 | C41 | C46 | H42 | 69.3° | 60.0° |
| C38 | C37 | C31 | C29 | 28.6° | 85.0° |
| C38 | C37 | C39 | O40 | 122.1° | 65.0° |
| C38 | C37 | C39 | C31 | 116.6° | 120.0° |
| C38 | C37 | C39 | H45 | 119.9° | 119.9° |
| C38 | C37 | C31 | H45 | 123.5° | 120.0° |
| C38 | C37 | C31 | O32 | 153.3° | 95.0° |
| C37 | C38 | H46 | H47 | 120.0° | 120.0° |
| C37 | C38 | H46 | H48 | 120.0° | 120.0° |
| C37 | C38 | H47 | H48 | 120.0° | 120.0° |
| C38 | C37 | C39 | H49 | 118.3° | 175.0° |
| C38 | C37 | C39 | H50 | 2.5° | 55.0° |
| C30 | C29 | C31 | H29 | 117.6° | 119.9° |
| C30 | C29 | C31 | C37 | 160.0° | 74.9° |
| C30 | C29 | C31 | O32 | 73.5° | 105.0° |
| C30 | C29 | N28 | H28 | 62.8° | 25.0° |
| C29 | C30 | H30 | H31 | 118.5° | 120.0° |
| C29 | C30 | C41 | H32 | 52.2° | 55.0° |
| C29 | C31 | C37 | C39 | 83.6° | 155.0° |
| C29 | C31 | C37 | O32 | 124.8° | 179.9° |
| C31 | C29 | N28 | H28 | 56.2° | 95.0° |
| C31 | C29 | C30 | H30 | 61.1° | 65.0° |
| C31 | C29 | C30 | H31 | 57.9° | 54.9° |
| C29 | C31 | C37 | H45 | 152.1° | 34.9° |
| O40 | C39 | C37 | H49 | 119.6° | 120.1° |
| O40 | C39 | C37 | H50 | 119.6° | 120.0° |
| O40 | C39 | C37 | C31 | 5.5° | 175.0° |
| O40 | C39 | C37 | H45 | 118.0° | 55.0° |
| O40 | C39 | H49 | H50 | 121.2° | 120.0° |
| C39 | C37 | C31 | H45 | 124.3° | 120.0° |
| C39 | C37 | C31 | O32 | 41.1° | 25.0° |
| C39 | C37 | C38 | H46 | 180.0° | 60.0° |
| C39 | C37 | C38 | H47 | 60.0° | 179.9° |
| C39 | C37 | C38 | H48 | 60.0° | 60.0° |
| C37 | C39 | H49 | H50 | 121.1° | 120.0° |
| C37 | C39 | O40 | H51 | 18.0° | 180.0° |
| C37 | C31 | C29 | H29 | 42.4° | 45.0° |
| C31 | C37 | C38 | H46 | 63.0° | 60.0° |
| C31 | C37 | C38 | H47 | 177.0° | 60.0° |
| C31 | C37 | C38 | H48 | 57.0° | 180.0° |
| C31 | C37 | C39 | H49 | 125.1° | 55.0° |
| C31 | C37 | C39 | H50 | 114.1° | 65.0° |
| O32 | C31 | C29 | H29 | 168.9° | 135.1° |
| O32 | C31 | C37 | H45 | 83.2° | 145.0° |
| H4 | C10 | C9 | H8 | 49.8° | 63.3° |
| H4 | C10 | C9 | H9 | 70.9° | 56.9° |
| H5 | C10 | C9 | H8 | 71.8° | 56.8° |
| H5 | C10 | C9 | H9 | 167.5° | 177.0° |
| H6 | C6 | C7 | H10 | 81.3° | 177.0° |
| H6 | C6 | C7 | H11 | 38.3° | 56.8° |
| H7 | C6 | C7 | H10 | 37.2° | 56.8° |
| H7 | C6 | C7 | H11 | 156.9° | 63.3° |
| H12 | N1 | C11 | H13 | 140.9° | 144.9° |
| H13 | C11 | C12 | H14 | 60.6° | 180.0° |
| H13 | C11 | C12 | H15 | 59.4° | 60.0° |
| H13 | C11 | C12 | H16 | 179.4° | 60.0° |
| H14 | C12 | H15 | H16 | 120.0° | 119.9° |
| H17 | N15 | C16 | H18 | 176.4° | 145.0° |
| H18 | C16 | C17 | H19 | 71.4° | 175.0° |
| H18 | C16 | C17 | H20 | 168.5° | 65.0° |
| H21 | C25 | C24 | H22 | 0.4° | 0.0° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
| H26 | C20 | C19 | H27 | 0.4° | 0.0° |
| H28 | N28 | C29 | H29 | 176.2° | 145.0° |
| H29 | C29 | C30 | H30 | 56.1° | 175.1° |
| H29 | C29 | C30 | H31 | 175.1° | 65.0° |
| H30 | C30 | C41 | H32 | 172.7° | 65.0° |
| H31 | C30 | C41 | H32 | 68.3° | 175.0° |
| H32 | C41 | C42 | H33 | 52.8° | 180.0° |
| H32 | C41 | C42 | H34 | 173.1° | 60.0° |
| H32 | C41 | C46 | H41 | 167.6° | 60.1° |
| H32 | C41 | C46 | H42 | 48.8° | 180.0° |
| H33 | C42 | C43 | H35 | 63.6° | 60.0° |
| H33 | C42 | C43 | H36 | 56.4° | 180.0° |
| H34 | C42 | C43 | H35 | 176.1° | 60.0° |
| H34 | C42 | C43 | H36 | 63.9° | 60.0° |
| H35 | C43 | C44 | H37 | 173.8° | 60.0° |
| H35 | C43 | C44 | H38 | 65.8° | 60.0° |
| H36 | C43 | C44 | H37 | 66.2° | 180.0° |
| H36 | C43 | C44 | H38 | 54.2° | 60.0° |
| H37 | C44 | C45 | H39 | 59.0° | 60.0° |
| H37 | C44 | C45 | H40 | 178.9° | 180.0° |
| H38 | C44 | C45 | H39 | 61.4° | 60.0° |
| H38 | C44 | C45 | H40 | 58.4° | 60.0° |
| H39 | C45 | C46 | H41 | 51.2° | 59.9° |
| H39 | C45 | C46 | H42 | 67.6° | 60.0° |
| H40 | C45 | C46 | H41 | 171.0° | 60.1° |
| H40 | C45 | C46 | H42 | 52.2° | NaN° |
| H45 | C37 | C38 | H46 | 59.9° | 180.0° |
| H45 | C37 | C38 | H47 | 60.1° | 60.0° |
| H45 | C37 | C38 | H48 | 179.9° | 60.0° |
| H45 | C37 | C39 | H49 | 1.6° | 65.1° |
| H45 | C37 | C39 | H50 | 122.4° | 175.0° |
| H46 | C38 | H47 | H48 | 120.0° | 120.1° |
| H49 | C39 | O40 | H51 | 101.6° | 60.0° |
| H50 | C39 | O40 | H51 | 137.6° | 60.0° |
