3A2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.37Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | H43 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.51Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | O4 | doub | 1.21Å | 1.21Å | |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| N5 | C9 | sing | 1.47Å | 1.46Å | |
| C6 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | O11 | doub | 1.21Å | 1.20Å | |
| C7 | C8 | sing | 1.55Å | 1.51Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | N12 | sing | 1.47Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| P21 | C13 | sing | 1.82Å | 1.83Å | |
| P21 | O22 | sing | 1.61Å | 1.40Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O23 | P21 | doub | 1.48Å | 1.51Å | |
| C24 | P21 | sing | 1.82Å | 1.82Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | O27 | doub | 1.21Å | 1.27Å | |
| N28 | C29 | sing | 1.47Å | 1.39Å | |
| N28 | C32 | sing | 1.47Å | 1.44Å | |
| C29 | C33 | sing | 1.51Å | 1.41Å | |
| C29 | C30 | sing | 1.54Å | 1.47Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | O34 | doub | 1.21Å | 1.19Å | |
| C30 | C31 | sing | 1.55Å | 1.54Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.55Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| N35 | C36 | sing | 1.46Å | 1.38Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| C36 | C41 | sing | 1.51Å | 1.41Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | O43 | doub | 1.21Å | 1.21Å | |
| C41 | O42 | sing | 1.34Å | 1.22Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| C3 | N5 | sing | 1.35Å | 1.34Å | |
| C10 | N12 | sing | 1.35Å | 1.31Å | |
| C26 | N28 | sing | 1.35Å | 1.29Å | |
| C33 | N35 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | H43 | 109.5° | 111.0° |
| N1 | C2 | C3 | 122.2° | 109.5° |
| N1 | C2 | H2 | 105.4° | 109.4° |
| N1 | C2 | H44 | 105.4° | 109.4° |
| HN1 | N1 | H43 | 109.4° | 111.0° |
| C3 | C2 | H2 | 105.4° | 109.5° |
| C3 | C2 | H44 | 105.4° | 109.5° |
| C2 | C3 | O4 | 115.0° | 120.1° |
| C2 | C3 | N5 | 123.1° | 120.0° |
| H2 | C2 | H44 | 113.2° | 109.5° |
| O4 | C3 | N5 | 121.8° | 120.0° |
| C6 | N5 | C9 | 111.6° | 108.7° |
| N5 | C6 | C10 | 115.9° | 109.9° |
| N5 | C6 | C7 | 103.6° | 107.3° |
| N5 | C6 | H6 | 108.0° | 109.9° |
| C6 | N5 | C3 | 124.3° | 125.7° |
| N5 | C9 | C8 | 105.5° | 104.7° |
| N5 | C9 | H9 | 110.8° | 110.4° |
| N5 | C9 | H9A | 110.8° | 110.4° |
| C9 | N5 | C3 | 124.1° | 125.7° |
| C10 | C6 | C7 | 105.6° | 109.9° |
| C10 | C6 | H6 | 106.2° | 109.8° |
| C6 | C10 | O11 | 123.0° | 120.0° |
| C6 | C10 | N12 | 114.5° | 120.0° |
| C7 | C6 | H6 | 118.0° | 110.1° |
| C6 | C7 | C8 | 105.5° | 103.0° |
| C6 | C7 | H7 | 110.8° | 110.7° |
| C6 | C7 | H7A | 110.8° | 110.7° |
| O11 | C10 | N12 | 122.6° | 120.0° |
| C8 | C7 | H7 | 110.8° | 110.7° |
| C8 | C7 | H7A | 110.8° | 110.8° |
| C7 | C8 | C9 | 104.5° | 101.5° |
| C7 | C8 | H8 | 111.1° | 111.1° |
| C7 | C8 | H8A | 111.2° | 111.0° |
| H7 | C7 | H7A | 108.1° | 110.8° |
| C9 | C8 | H8 | 111.2° | 111.2° |
| C9 | C8 | H8A | 111.1° | 110.8° |
| C8 | C9 | H9 | 110.8° | 110.5° |
| C8 | C9 | H9A | 110.8° | 110.3° |
| H8 | C8 | H8A | 107.7° | 110.9° |
| H9 | C9 | H9A | 108.1° | 110.5° |
| HN12 | N12 | C13 | 119.1° | 120.0° |
| HN12 | N12 | C10 | 119.2° | 120.0° |
| N12 | C13 | C14 | 111.7° | 109.5° |
| N12 | C13 | H13 | 105.4° | 109.4° |
| N12 | C13 | P21 | 112.8° | 109.5° |
| C13 | N12 | C10 | 121.7° | 120.0° |
| C14 | C13 | H13 | 109.5° | 109.5° |
| C13 | C14 | C15 | 116.5° | 109.5° |
| C13 | C14 | H14 | 107.2° | 109.5° |
| C13 | C14 | H14A | 107.2° | 109.5° |
| C14 | C13 | P21 | 109.0° | 109.5° |
| H13 | C13 | P21 | 108.3° | 109.5° |
| C15 | C14 | H14 | 107.2° | 109.4° |
| C15 | C14 | H14A | 107.2° | 109.5° |
| C14 | C15 | C16 | 121.7° | 120.0° |
| C14 | C15 | C20 | 119.6° | 120.0° |
| H14 | C14 | H14A | 111.7° | 109.5° |
| C16 | C15 | C20 | 118.7° | 120.0° |
| C15 | C16 | C17 | 119.5° | 120.0° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C15 | C20 | C19 | 122.3° | 120.0° |
| C15 | C20 | H20 | 118.8° | 120.0° |
| C17 | C16 | H16 | 120.3° | 120.0° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H17 | 119.5° | 120.0° |
| C18 | C17 | H17 | 119.5° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| H18 | C18 | C19 | 120.2° | 119.9° |
| C18 | C19 | H19 | 120.6° | 120.0° |
| C18 | C19 | C20 | 118.8° | 120.0° |
| H19 | C19 | C20 | 120.6° | 120.0° |
| C19 | C20 | H20 | 118.8° | 120.0° |
| C13 | P21 | O22 | 116.2° | 109.4° |
| C13 | P21 | O23 | 106.4° | 109.5° |
| C13 | P21 | C24 | 110.8° | 109.5° |
| P21 | O22 | HO22 | 109.5° | 114.0° |
| O22 | P21 | O23 | 117.4° | 109.5° |
| O22 | P21 | C24 | 103.4° | 109.5° |
| O23 | P21 | C24 | 101.6° | 109.5° |
| P21 | C24 | H24 | 108.3° | 109.4° |
| P21 | C24 | H24A | 108.3° | 109.5° |
| P21 | C24 | C25 | 113.1° | 109.5° |
| H24 | C24 | H24A | 110.6° | 109.5° |
| H24 | C24 | C25 | 108.3° | 109.4° |
| H24A | C24 | C25 | 108.3° | 109.5° |
| C24 | C25 | C26 | 108.4° | 109.4° |
| C24 | C25 | H25 | 109.8° | 109.4° |
| C24 | C25 | H25A | 109.8° | 109.5° |
| C26 | C25 | H25 | 109.8° | 109.5° |
| C26 | C25 | H25A | 109.8° | 109.5° |
| C25 | C26 | O27 | 119.6° | 120.0° |
| C25 | C26 | N28 | 120.7° | 120.0° |
| H25 | C25 | H25A | 109.1° | 109.5° |
| O27 | C26 | N28 | 119.7° | 120.0° |
| C29 | N28 | C32 | 110.4° | 108.7° |
| N28 | C29 | C33 | 130.5° | 109.9° |
| N28 | C29 | C30 | 104.6° | 107.3° |
| N28 | C29 | H29 | 109.6° | 109.9° |
| C29 | N28 | C26 | 117.9° | 125.7° |
| N28 | C32 | C31 | 97.7° | 104.7° |
| N28 | C32 | H32 | 113.6° | 110.3° |
| N28 | C32 | H32A | 113.6° | 110.4° |
| C32 | N28 | C26 | 131.3° | 125.6° |
| C33 | C29 | C30 | 123.7° | 109.9° |
| C33 | C29 | H29 | 45.6° | 109.9° |
| C29 | C33 | O34 | 120.2° | 120.0° |
| C29 | C33 | N35 | 117.8° | 120.0° |
| C30 | C29 | H29 | 131.0° | 110.0° |
| C29 | C30 | C31 | 93.5° | 103.0° |
| C29 | C30 | H30 | 115.2° | 110.7° |
| C29 | C30 | H30A | 115.2° | 110.7° |
| O34 | C33 | N35 | 121.9° | 120.0° |
| C31 | C30 | H30 | 115.2° | 110.7° |
| C31 | C30 | H30A | 115.1° | 110.7° |
| C30 | C31 | C32 | 108.9° | 101.5° |
| C30 | C31 | H31 | 109.7° | 111.0° |
| C30 | C31 | H31A | 109.7° | 111.1° |
| H30 | C30 | H30A | 103.2° | 110.8° |
| C32 | C31 | H31 | 109.7° | 111.2° |
| C32 | C31 | H31A | 109.7° | 110.9° |
| C31 | C32 | H32 | 113.6° | 110.5° |
| C31 | C32 | H32A | 113.6° | 110.4° |
| H31 | C31 | H31A | 109.3° | 110.9° |
| H32 | C32 | H32A | 105.0° | 110.4° |
| C36 | N35 | HN35 | 119.9° | 120.0° |
| N35 | C36 | C41 | 123.6° | 109.5° |
| N35 | C36 | C37 | 114.5° | 109.5° |
| N35 | C36 | H36 | 106.9° | 109.5° |
| C36 | N35 | C33 | 120.2° | 120.0° |
| HN35 | N35 | C33 | 119.9° | 120.0° |
| C41 | C36 | C37 | 121.8° | 109.5° |
| C41 | C36 | H36 | 45.0° | 109.4° |
| C36 | C41 | O43 | 120.7° | 120.0° |
| C36 | C41 | O42 | 119.9° | 120.0° |
| C37 | C36 | H36 | 121.8° | 109.5° |
| C36 | C37 | C38 | 111.6° | 109.4° |
| C36 | C37 | H37 | 108.8° | 109.5° |
| C36 | C37 | H37A | 108.8° | 109.5° |
| O43 | C41 | O42 | 119.4° | 120.0° |
| C41 | O42 | HO42 | 109.5° | 117.0° |
| C38 | C37 | H37 | 108.7° | 109.5° |
| C38 | C37 | H37A | 108.7° | 109.5° |
| C37 | C38 | C39 | 114.7° | 109.5° |
| C37 | C38 | H38 | 107.8° | 109.5° |
| C37 | C38 | H38A | 107.8° | 109.5° |
| H37 | C37 | H37A | 110.2° | 109.5° |
| C39 | C38 | H38 | 107.8° | 109.5° |
| C39 | C38 | H38A | 107.7° | 109.4° |
| C38 | C39 | C40 | 110.6° | 109.5° |
| C38 | C39 | H39 | 109.1° | 109.5° |
| C38 | C39 | H39A | 109.1° | 109.5° |
| H38 | C38 | H38A | 111.1° | 109.5° |
| C40 | C39 | H39 | 109.1° | 109.5° |
| C40 | C39 | H39A | 109.1° | 109.5° |
| C39 | C40 | H40 | 109.5° | 109.5° |
| C39 | C40 | H40A | 109.5° | 109.5° |
| C39 | C40 | H40B | 109.5° | 109.5° |
| H39 | C39 | H39A | 109.8° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| H40 | C40 | H40B | 109.4° | 109.4° |
| H40A | C40 | H40B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN1 | H43 | 120.0° | 123.9° |
| N1 | C2 | C3 | H2 | 120.0° | 120.0° |
| N1 | C2 | C3 | H44 | 120.0° | 120.0° |
| N1 | C2 | H2 | H44 | 114.7° | 119.9° |
| N1 | C2 | C3 | O4 | 176.7° | 0.0° |
| N1 | C2 | C3 | N5 | 3.8° | 180.0° |
| HN1 | N1 | C2 | C3 | 180.0° | 180.0° |
| HN1 | N1 | C2 | H2 | 60.0° | 60.0° |
| HN1 | N1 | C2 | H44 | 60.0° | 60.0° |
| H43 | N1 | C2 | C3 | 60.0° | 56.1° |
| H43 | N1 | C2 | H2 | 60.0° | 63.9° |
| H43 | N1 | C2 | H44 | 180.0° | 176.1° |
| C3 | C2 | H2 | H44 | 114.7° | 120.1° |
| C2 | C3 | O4 | N5 | 179.5° | 180.0° |
| C2 | C3 | N5 | C6 | 2.7° | 180.0° |
| C2 | C3 | N5 | C9 | 178.4° | 0.3° |
| H2 | C2 | C3 | O4 | 56.7° | 120.0° |
| H2 | C2 | C3 | N5 | 123.8° | 60.0° |
| H44 | C2 | C3 | O4 | 63.3° | 120.0° |
| H44 | C2 | C3 | N5 | 116.2° | 60.0° |
| O4 | C3 | N5 | C6 | 176.7° | 0.0° |
| O4 | C3 | N5 | C9 | 2.2° | 179.7° |
| C6 | N5 | C9 | C3 | 179.0° | 179.7° |
| N5 | C6 | C10 | C7 | 114.0° | 117.8° |
| N5 | C6 | C10 | H6 | 120.0° | 120.9° |
| N5 | C6 | C7 | H6 | 119.3° | 119.5° |
| N5 | C6 | C10 | O11 | 14.2° | 0.0° |
| N5 | C6 | C7 | C8 | 28.3° | 22.2° |
| N5 | C6 | C7 | H7 | 148.3° | 140.6° |
| N5 | C6 | C7 | H7A | 91.7° | 96.2° |
| C6 | N5 | C9 | C8 | 2.6° | 24.5° |
| C6 | N5 | C9 | H9 | 117.4° | 94.4° |
| C6 | N5 | C9 | H9A | 122.6° | 143.1° |
| N5 | C6 | C10 | N12 | 167.4° | 180.0° |
| C9 | N5 | C6 | C10 | 99.2° | 120.7° |
| C9 | N5 | C6 | C7 | 15.9° | 1.3° |
| C9 | N5 | C6 | H6 | 141.8° | 118.3° |
| N5 | C9 | C8 | C7 | 20.2° | 37.3° |
| N5 | C9 | C8 | H9 | 120.0° | 118.9° |
| N5 | C9 | C8 | H9A | 120.0° | 118.7° |
| N5 | C9 | C8 | H8 | 99.7° | 80.9° |
| N5 | C9 | C8 | H8A | 140.3° | 155.3° |
| N5 | C9 | H9 | H9A | 121.6° | 122.4° |
| C10 | C6 | C7 | H6 | 118.4° | 121.1° |
| C6 | C10 | O11 | N12 | 178.2° | 180.0° |
| C10 | C6 | C7 | C8 | 94.0° | 97.2° |
| C10 | C6 | C7 | H7 | 26.0° | 21.2° |
| C10 | C6 | C7 | H7A | 146.0° | 144.4° |
| C6 | C10 | N12 | HN12 | 1.3° | 0.0° |
| C6 | C10 | N12 | C13 | 178.7° | 180.0° |
| C10 | C6 | N5 | C3 | 79.8° | 59.6° |
| C7 | C6 | C10 | O11 | 99.8° | 117.8° |
| C6 | C7 | C8 | H7 | 120.0° | 118.3° |
| C6 | C7 | C8 | H7A | 120.0° | 118.4° |
| C6 | C7 | H7 | H7A | 121.6° | 123.1° |
| C6 | C7 | C8 | C9 | 30.1° | 35.7° |
| C6 | C7 | C8 | H8 | 89.8° | 82.6° |
| C6 | C7 | C8 | H8A | 150.1° | 153.6° |
| C7 | C6 | N5 | C3 | 165.0° | 179.0° |
| C7 | C6 | C10 | N12 | 78.6° | 62.2° |
| H6 | C6 | C10 | O11 | 134.2° | 121.0° |
| H6 | C6 | C7 | C8 | 147.6° | 141.7° |
| H6 | C6 | C7 | H7 | 92.4° | 99.9° |
| H6 | C6 | C7 | H7A | 27.6° | 23.3° |
| H6 | C6 | N5 | C3 | 39.1° | 61.4° |
| H6 | C6 | C10 | N12 | 47.4° | 59.0° |
| O11 | C10 | N12 | HN12 | 179.7° | 180.0° |
| O11 | C10 | N12 | C13 | 0.3° | 0.0° |
| C8 | C7 | H7 | H7A | 121.6° | 123.3° |
| C7 | C8 | C9 | H8 | 120.0° | 118.2° |
| C7 | C8 | C9 | H8A | 120.0° | 118.0° |
| C7 | C8 | H8 | H8A | 122.0° | 124.0° |
| C7 | C8 | C9 | H9 | 99.7° | 81.5° |
| C7 | C8 | C9 | H9A | 140.2° | 156.1° |
| H7 | C7 | C8 | C9 | 150.2° | 154.0° |
| H7 | C7 | C8 | H8 | 30.2° | 35.7° |
| H7 | C7 | C8 | H8A | 89.8° | 88.1° |
| H7A | C7 | C8 | C9 | 89.9° | 82.7° |
| H7A | C7 | C8 | H8 | 150.1° | 159.1° |
| H7A | C7 | C8 | H8A | 30.1° | 35.2° |
| C9 | C8 | H8 | H8A | 122.0° | 123.8° |
| C8 | C9 | H9 | H9A | 121.6° | 122.3° |
| C8 | C9 | N5 | C3 | 176.5° | 155.8° |
| H8 | C8 | C9 | H9 | 140.3° | 160.3° |
| H8 | C8 | C9 | H9A | 20.2° | 37.9° |
| H8A | C8 | C9 | H9 | 20.3° | 36.5° |
| H8A | C8 | C9 | H9A | 99.8° | 85.9° |
| H9 | C9 | N5 | C3 | 63.5° | 85.3° |
| H9A | C9 | N5 | C3 | 56.5° | 37.1° |
| HN12 | N12 | C13 | C10 | 180.0° | 180.0° |
| HN12 | N12 | C13 | C14 | 46.7° | 45.0° |
| HN12 | N12 | C13 | H13 | 165.5° | 165.0° |
| HN12 | N12 | C13 | P21 | 76.5° | 75.0° |
| N12 | C13 | C14 | H13 | 116.4° | 120.0° |
| N12 | C13 | C14 | P21 | 125.3° | 120.0° |
| N12 | C13 | H13 | P21 | 120.9° | 120.0° |
| N12 | C13 | C14 | C15 | 55.2° | 64.9° |
| N12 | C13 | C14 | H14 | 64.8° | 55.0° |
| N12 | C13 | C14 | H14A | 175.2° | 175.1° |
| N12 | C13 | P21 | O22 | 54.7° | 56.1° |
| N12 | C13 | P21 | O23 | 78.1° | 63.9° |
| N12 | C13 | P21 | C24 | 172.3° | 176.1° |
| C14 | C13 | H13 | P21 | 118.7° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 117.1° | 120.0° |
| C13 | C14 | C15 | C16 | 57.5° | 95.6° |
| C13 | C14 | C15 | C20 | 124.7° | 84.7° |
| C14 | C13 | P21 | O22 | 70.0° | 64.0° |
| C14 | C13 | P21 | O23 | 157.2° | 176.0° |
| C14 | C13 | P21 | C24 | 47.5° | 56.0° |
| C14 | C13 | N12 | C10 | 133.3° | 135.0° |
| H13 | C13 | C14 | C15 | 61.1° | 55.1° |
| H13 | C13 | C14 | H14 | 178.9° | 175.0° |
| H13 | C13 | C14 | H14A | 58.9° | 65.0° |
| H13 | C13 | P21 | O22 | 170.9° | 176.0° |
| H13 | C13 | P21 | O23 | 38.2° | 56.0° |
| H13 | C13 | P21 | C24 | 71.5° | 64.0° |
| H13 | C13 | N12 | C10 | 14.5° | 15.0° |
| C15 | C14 | H14 | H14A | 117.1° | 120.0° |
| C14 | C15 | C16 | C20 | 177.8° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C14 | C15 | C16 | H16 | 0.3° | 0.0° |
| C14 | C15 | C20 | C19 | 179.9° | 179.8° |
| C14 | C15 | C20 | H20 | 0.1° | 0.1° |
| C15 | C14 | C13 | P21 | 179.4° | 175.1° |
| H14 | C14 | C15 | C16 | 177.5° | 24.4° |
| H14 | C14 | C15 | C20 | 4.7° | 155.4° |
| H14 | C14 | C13 | P21 | 60.6° | 65.0° |
| H14A | C14 | C15 | C16 | 62.5° | 144.4° |
| H14A | C14 | C15 | C20 | 115.3° | 35.3° |
| H14A | C14 | C13 | P21 | 59.4° | 55.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.1° |
| C15 | C16 | C17 | H17 | 179.0° | 180.0° |
| C16 | C15 | C20 | C19 | 2.0° | 0.5° |
| C16 | C15 | C20 | H20 | 178.0° | 179.8° |
| C20 | C15 | C16 | C17 | 1.9° | 0.3° |
| C20 | C15 | C16 | H16 | 178.1° | 179.7° |
| C15 | C20 | C19 | C18 | 1.1° | 0.5° |
| C15 | C20 | C19 | H19 | 178.8° | 179.6° |
| C15 | C20 | C19 | H20 | 180.0° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| H16 | C16 | C17 | C18 | 179.0° | 180.0° |
| H16 | C16 | C17 | H17 | 1.0° | 0.0° |
| C17 | C18 | H18 | C19 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 179.8° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.2° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| H18 | C18 | C19 | C20 | 179.8° | 179.8° |
| C18 | C19 | H19 | C20 | 180.0° | 179.9° |
| C18 | C19 | C20 | H20 | 178.9° | 179.8° |
| H19 | C19 | C20 | H20 | 1.2° | 0.1° |
| C13 | P21 | O22 | O23 | 127.5° | 120.0° |
| C13 | P21 | O22 | C24 | 121.6° | 120.0° |
| C13 | P21 | O22 | HO22 | 127.5° | 60.0° |
| C13 | P21 | O23 | C24 | 116.0° | 120.1° |
| C13 | P21 | C24 | H24 | 87.8° | 55.0° |
| C13 | P21 | C24 | H24A | 32.2° | 65.0° |
| C13 | P21 | C24 | C25 | 152.2° | 175.0° |
| P21 | C13 | N12 | C10 | 103.5° | 105.0° |
| O22 | P21 | O23 | C24 | 111.9° | 120.0° |
| O22 | P21 | C24 | H24 | 147.0° | 175.0° |
| O22 | P21 | C24 | H24A | 93.0° | 55.0° |
| O22 | P21 | C24 | C25 | 27.1° | 65.0° |
| HO22 | O22 | P21 | O23 | 0.0° | 180.0° |
| HO22 | O22 | P21 | C24 | 110.9° | 60.0° |
| O23 | P21 | C24 | H24 | 24.9° | 65.0° |
| O23 | P21 | C24 | H24A | 144.9° | 175.0° |
| O23 | P21 | C24 | C25 | 95.1° | 54.9° |
| P21 | C24 | H24 | H24A | 118.5° | 120.0° |
| P21 | C24 | H24 | C25 | 122.9° | 120.0° |
| P21 | C24 | H24A | C25 | 122.9° | 120.0° |
| P21 | C24 | C25 | C26 | 109.7° | 180.0° |
| P21 | C24 | C25 | H25 | 10.3° | 60.0° |
| P21 | C24 | C25 | H25A | 130.3° | 60.0° |
| H24 | C24 | H24A | C25 | 118.5° | 120.0° |
| H24 | C24 | C25 | C26 | 130.3° | 60.0° |
| H24 | C24 | C25 | H25 | 109.7° | 180.0° |
| H24 | C24 | C25 | H25A | 10.3° | 60.0° |
| H24A | C24 | C25 | C26 | 10.3° | 60.0° |
| H24A | C24 | C25 | H25 | 130.3° | 60.0° |
| H24A | C24 | C25 | H25A | 109.7° | 180.0° |
| C24 | C25 | C26 | H25 | 120.0° | 119.9° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 120.4° | 120.0° |
| C24 | C25 | C26 | O27 | 12.6° | 0.0° |
| C24 | C25 | C26 | N28 | 166.5° | 180.0° |
| C26 | C25 | H25 | H25A | 120.4° | 120.1° |
| C25 | C26 | O27 | N28 | 179.2° | 180.0° |
| C25 | C26 | N28 | C29 | 177.7° | 180.0° |
| C25 | C26 | N28 | C32 | 5.2° | 0.3° |
| H25 | C25 | C26 | O27 | 132.6° | 120.0° |
| H25 | C25 | C26 | N28 | 46.6° | 60.0° |
| H25A | C25 | C26 | O27 | 107.4° | 119.9° |
| H25A | C25 | C26 | N28 | 73.4° | 60.0° |
| O27 | C26 | N28 | C29 | 1.5° | 0.0° |
| O27 | C26 | N28 | C32 | 174.0° | 179.7° |
| C29 | N28 | C32 | C26 | 172.9° | 179.8° |
| N28 | C29 | C33 | C30 | 165.8° | 117.8° |
| N28 | C29 | C33 | H29 | 77.4° | 121.0° |
| N28 | C29 | C30 | H29 | 133.4° | 119.5° |
| N28 | C29 | C33 | O34 | 179.0° | 0.0° |
| N28 | C29 | C30 | C31 | 47.8° | 22.2° |
| N28 | C29 | C30 | H30 | 167.8° | 140.6° |
| N28 | C29 | C30 | H30A | 72.2° | 96.1° |
| C29 | N28 | C32 | C31 | 18.5° | 24.4° |
| C29 | N28 | C32 | H32 | 138.5° | 94.5° |
| C29 | N28 | C32 | H32A | 101.5° | 143.2° |
| N28 | C29 | C33 | N35 | 4.3° | 180.0° |
| C32 | N28 | C29 | C33 | 121.8° | 120.7° |
| C32 | N28 | C29 | C30 | 46.1° | 1.3° |
| C32 | N28 | C29 | H29 | 169.5° | 118.3° |
| N28 | C32 | C31 | C30 | 13.3° | 37.3° |
| N28 | C32 | C31 | H32 | 120.0° | 118.8° |
| N28 | C32 | C31 | H32A | 120.0° | 118.8° |
| N28 | C32 | C31 | H31 | 106.6° | 80.9° |
| N28 | C32 | C31 | H31A | 133.4° | 155.3° |
| N28 | C32 | H32 | H32A | 124.8° | 122.3° |
| C33 | C29 | C30 | H29 | 57.7° | 121.1° |
| C29 | C33 | O34 | N35 | 176.6° | 180.0° |
| C33 | C29 | C30 | C31 | 121.1° | 97.2° |
| C33 | C29 | C30 | H30 | 1.1° | 21.2° |
| C33 | C29 | C30 | H30A | 118.9° | 144.4° |
| C29 | C33 | N35 | C36 | 177.7° | 180.0° |
| C29 | C33 | N35 | HN35 | 2.2° | 0.0° |
| C33 | C29 | N28 | C26 | 64.3° | 59.5° |
| C30 | C29 | C33 | O34 | 13.1° | 117.8° |
| C29 | C30 | C31 | H30 | 120.0° | 118.4° |
| C29 | C30 | C31 | H30A | 120.0° | 118.4° |
| C29 | C30 | H30 | H30A | 126.4° | 123.3° |
| C29 | C30 | C31 | C32 | 37.0° | 35.7° |
| C29 | C30 | C31 | H31 | 83.0° | 82.6° |
| C29 | C30 | C31 | H31A | 157.0° | 153.6° |
| C30 | C29 | N28 | C26 | 127.9° | 179.0° |
| C30 | C29 | C33 | N35 | 170.1° | 62.2° |
| H29 | C29 | C33 | O34 | 103.7° | 121.0° |
| H29 | C29 | C30 | C31 | 178.8° | 141.7° |
| H29 | C29 | C30 | H30 | 58.8° | 100.0° |
| H29 | C29 | C30 | H30A | 61.2° | 23.3° |
| H29 | C29 | N28 | C26 | 16.5° | 61.5° |
| H29 | C29 | C33 | N35 | 73.1° | 59.0° |
| O34 | C33 | N35 | C36 | 5.5° | 0.0° |
| O34 | C33 | N35 | HN35 | 174.5° | 180.0° |
| C31 | C30 | H30 | H30A | 126.4° | 123.2° |
| C30 | C31 | C32 | H31 | 120.0° | 118.1° |
| C30 | C31 | C32 | H31A | 120.0° | 118.0° |
| C30 | C31 | H31 | H31A | 120.3° | 123.9° |
| C30 | C31 | C32 | H32 | 106.7° | 81.5° |
| C30 | C31 | C32 | H32A | 133.3° | 156.1° |
| H30 | C30 | C31 | C32 | 157.0° | 154.0° |
| H30 | C30 | C31 | H31 | 37.0° | 35.8° |
| H30 | C30 | C31 | H31A | 83.0° | 88.1° |
| H30A | C30 | C31 | C32 | 83.0° | 82.7° |
| H30A | C30 | C31 | H31 | 157.0° | 159.0° |
| H30A | C30 | C31 | H31A | 37.0° | 35.2° |
| C32 | C31 | H31 | H31A | 120.2° | 123.8° |
| C31 | C32 | H32 | H32A | 124.7° | 122.4° |
| C31 | C32 | N28 | C26 | 154.4° | 155.8° |
| H31 | C31 | C32 | H32 | 133.3° | 160.4° |
| H31 | C31 | C32 | H32A | 13.4° | 37.9° |
| H31A | C31 | C32 | H32 | 13.3° | 36.5° |
| H31A | C31 | C32 | H32A | 106.7° | 85.9° |
| H32 | C32 | N28 | C26 | 34.4° | 85.3° |
| H32A | C32 | N28 | C26 | 85.6° | 37.1° |
| C36 | N35 | HN35 | C33 | 180.0° | 180.0° |
| N35 | C36 | C41 | C37 | 174.7° | 120.0° |
| N35 | C36 | C41 | H36 | 80.3° | 120.0° |
| N35 | C36 | C37 | H36 | 131.2° | 120.0° |
| N35 | C36 | C41 | O43 | 172.9° | 0.1° |
| N35 | C36 | C41 | O42 | 7.4° | 180.0° |
| N35 | C36 | C37 | C38 | 134.2° | 65.0° |
| N35 | C36 | C37 | H37 | 105.8° | 175.0° |
| N35 | C36 | C37 | H37A | 14.2° | 55.0° |
| HN35 | N35 | C36 | C41 | 115.8° | 95.0° |
| HN35 | N35 | C36 | C37 | 69.2° | 25.0° |
| HN35 | N35 | C36 | H36 | 69.0° | 145.0° |
| C41 | C36 | C37 | H36 | 53.6° | 119.9° |
| C36 | C41 | O43 | O42 | 179.7° | 180.0° |
| C41 | C36 | C37 | C38 | 50.7° | 175.0° |
| C41 | C36 | C37 | H37 | 69.3° | 55.0° |
| C41 | C36 | C37 | H37A | 170.6° | 65.0° |
| C36 | C41 | O42 | HO42 | 179.7° | 180.0° |
| C41 | C36 | N35 | C33 | 64.3° | 84.9° |
| C37 | C36 | C41 | O43 | 1.8° | 120.0° |
| C37 | C36 | C41 | O42 | 177.9° | 60.0° |
| C36 | C37 | C38 | H37 | 120.0° | 120.0° |
| C36 | C37 | C38 | H37A | 120.0° | 120.0° |
| C36 | C37 | H37 | H37A | 119.1° | 120.0° |
| C36 | C37 | C38 | C39 | 131.0° | 180.0° |
| C36 | C37 | C38 | H38 | 11.0° | 60.0° |
| C36 | C37 | C38 | H38A | 109.0° | 60.0° |
| C37 | C36 | N35 | C33 | 110.8° | 155.0° |
| H36 | C36 | C41 | O43 | 106.8° | 120.1° |
| H36 | C36 | C41 | O42 | 72.9° | 60.0° |
| H36 | C36 | C37 | C38 | 2.9° | 55.1° |
| H36 | C36 | C37 | H37 | 122.9° | 64.9° |
| H36 | C36 | C37 | H37A | 117.1° | 175.0° |
| H36 | C36 | N35 | C33 | 111.1° | 35.0° |
| O43 | C41 | O42 | HO42 | 0.0° | 0.0° |
| C38 | C37 | H37 | H37A | 119.1° | 120.0° |
| C37 | C38 | C39 | H38 | 120.0° | 120.0° |
| C37 | C38 | C39 | H38A | 120.0° | 120.0° |
| C37 | C38 | H38 | H38A | 117.9° | 120.0° |
| C37 | C38 | C39 | C40 | 177.3° | 180.0° |
| C37 | C38 | C39 | H39 | 62.7° | 60.0° |
| C37 | C38 | C39 | H39A | 57.3° | 60.0° |
| H37 | C37 | C38 | C39 | 108.9° | 60.0° |
| H37 | C37 | C38 | H38 | 131.1° | 180.0° |
| H37 | C37 | C38 | H38A | 11.0° | 60.0° |
| H37A | C37 | C38 | C39 | 11.0° | 60.0° |
| H37A | C37 | C38 | H38 | 109.0° | 60.0° |
| H37A | C37 | C38 | H38A | 131.0° | 180.0° |
| C39 | C38 | H38 | H38A | 117.8° | 120.0° |
| C38 | C39 | C40 | H39 | 120.0° | 120.0° |
| C38 | C39 | C40 | H39A | 120.0° | 120.0° |
| C38 | C39 | H39 | H39A | 119.5° | 120.0° |
| C38 | C39 | C40 | H40 | 180.0° | 180.0° |
| C38 | C39 | C40 | H40A | 60.0° | 60.0° |
| C38 | C39 | C40 | H40B | 60.0° | 60.0° |
| H38 | C38 | C39 | C40 | 57.3° | 60.0° |
| H38 | C38 | C39 | H39 | 177.3° | 180.0° |
| H38 | C38 | C39 | H39A | 62.7° | 60.0° |
| H38A | C38 | C39 | C40 | 62.7° | 60.0° |
| H38A | C38 | C39 | H39 | 57.3° | 60.0° |
| H38A | C38 | C39 | H39A | 177.3° | 180.0° |
| C40 | C39 | H39 | H39A | 119.5° | 120.0° |
| C39 | C40 | H40 | H40A | 120.0° | 120.0° |
| C39 | C40 | H40 | H40B | 120.0° | 120.0° |
| C39 | C40 | H40A | H40B | 120.0° | 120.0° |
| H39 | C39 | C40 | H40 | 60.0° | 60.0° |
| H39 | C39 | C40 | H40A | 180.0° | 180.0° |
| H39 | C39 | C40 | H40B | 60.0° | 60.0° |
| H39A | C39 | C40 | H40 | 60.0° | 60.0° |
| H39A | C39 | C40 | H40A | 60.0° | 60.0° |
| H39A | C39 | C40 | H40B | 180.0° | 180.0° |
| H40 | C40 | H40A | H40B | 119.9° | 120.0° |
