3TL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O8 | doub | 1.22Å | 1.22Å | |
| C31 | O9 | sing | 1.35Å | 1.45Å | |
| C31 | N4 | sing | 1.35Å | 1.32Å | |
| O9 | CA | sing | 1.45Å | 1.42Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| C | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N4 | C18 | sing | 1.47Å | 1.43Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | O4 | doub | 1.21Å | 1.22Å | |
| C19 | N2 | sing | 1.35Å | 1.33Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| N2 | C10 | sing | 1.46Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| C11 | N1 | sing | 1.35Å | 1.33Å | |
| C12 | CG2 | sing | 1.53Å | 1.53Å | |
| C12 | CG1 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | C52 | sing | 1.53Å | 1.53Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N51 | C51 | sing | 1.47Å | 1.45Å | |
| N51 | HN51 | sing | 0.97Å | 1.00Å | |
| N51 | C61 | sing | 1.35Å | 1.34Å | |
| C51 | C52 | sing | 1.53Å | 1.51Å | |
| C51 | C53 | sing | 1.53Å | 1.54Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C52 | O51 | sing | 1.43Å | 1.42Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| O51 | HO51 | sing | 0.97Å | 0.95Å | |
| C53 | C54 | sing | 1.51Å | 1.51Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | C59 | sing | 1.38Å | 1.41Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C59 | C58 | doub | 1.38Å | 1.40Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| C56 | C57 | doub | 1.38Å | 1.40Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C58 | C57 | sing | 1.38Å | 1.40Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| N52 | C60 | sing | 1.46Å | 1.45Å | |
| N52 | HN52 | sing | 0.97Å | 1.00Å | |
| N52 | C69 | sing | 1.35Å | 1.33Å | |
| C60 | C61 | sing | 1.51Å | 1.51Å | |
| C60 | C62 | sing | 1.53Å | 1.55Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | O52 | doub | 1.21Å | 1.21Å | |
| C62 | CG6 | sing | 1.53Å | 1.52Å | |
| C62 | CG5 | sing | 1.53Å | 1.54Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| CG6 | HG61 | sing | 1.09Å | 1.10Å | |
| CG6 | HG62 | sing | 1.09Å | 1.10Å | |
| CG6 | HG63 | sing | 1.09Å | 1.10Å | |
| CG5 | HG51 | sing | 1.09Å | 1.10Å | |
| CG5 | HG52 | sing | 1.09Å | 1.10Å | |
| CG5 | HG53 | sing | 1.09Å | 1.10Å | |
| N54 | C68 | sing | 1.47Å | 1.45Å | |
| N54 | HN54 | sing | 0.97Å | 1.00Å | |
| N54 | C81 | sing | 1.35Å | 1.32Å | |
| C68 | C69 | sing | 1.51Å | 1.50Å | |
| C68 | C70 | sing | 1.53Å | 1.52Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C69 | O54 | doub | 1.21Å | 1.23Å | |
| C70 | H701 | sing | 1.09Å | 1.10Å | |
| C70 | H702 | sing | 1.09Å | 1.10Å | |
| C70 | H703 | sing | 1.09Å | 1.10Å | |
| C81 | O58 | doub | 1.22Å | 1.22Å | |
| C81 | O59 | sing | 1.35Å | 1.44Å | |
| O59 | CA5 | sing | 1.45Å | 1.44Å | |
| CA5 | C50 | sing | 1.51Å | 1.51Å | |
| CA5 | HA51 | sing | 1.09Å | 1.10Å | |
| CA5 | HA52 | sing | 1.09Å | 1.10Å | |
| C50 | C63 | doub | 1.38Å | 1.40Å | Aromatic |
| C50 | C67 | sing | 1.38Å | 1.40Å | Aromatic |
| C63 | C64 | sing | 1.38Å | 1.40Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C64 | C65 | doub | 1.38Å | 1.40Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C65 | C66 | sing | 1.38Å | 1.41Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.08Å | |
| C66 | C67 | doub | 1.38Å | 1.41Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C67 | H67 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C31 | O9 | 119.3° | 120.0° |
| O8 | C31 | N4 | 125.9° | 120.0° |
| O9 | C31 | N4 | 114.8° | 120.0° |
| C31 | O9 | CA | 118.9° | 117.1° |
| C31 | N4 | C18 | 124.3° | 120.0° |
| C31 | N4 | HN4 | 117.8° | 120.0° |
| O9 | CA | C | 109.4° | 109.5° |
| O9 | CA | HA1 | 109.5° | 109.4° |
| O9 | CA | HA2 | 109.5° | 109.4° |
| C | CA | HA1 | 109.5° | 109.5° |
| C | CA | HA2 | 109.5° | 109.5° |
| CA | C | C13 | 118.7° | 120.0° |
| CA | C | C17 | 120.6° | 120.0° |
| HA1 | CA | HA2 | 109.4° | 109.5° |
| C13 | C | C17 | 120.6° | 120.0° |
| C | C13 | C14 | 119.4° | 120.0° |
| C | C13 | H13 | 120.3° | 120.0° |
| C | C17 | C16 | 119.6° | 120.0° |
| C | C17 | H17 | 120.2° | 120.0° |
| C14 | C13 | H13 | 120.3° | 120.0° |
| C13 | C14 | C15 | 120.5° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C16 | C15 | H15 | 120.2° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.1° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C18 | N4 | HN4 | 117.9° | 120.0° |
| N4 | C18 | C19 | 112.1° | 109.4° |
| N4 | C18 | C20 | 107.6° | 109.5° |
| N4 | C18 | H18 | 109.1° | 109.5° |
| C19 | C18 | C20 | 109.9° | 109.5° |
| C19 | C18 | H18 | 106.8° | 109.5° |
| C18 | C19 | O4 | 121.3° | 120.0° |
| C18 | C19 | N2 | 116.6° | 120.0° |
| C20 | C18 | H18 | 111.4° | 109.5° |
| C18 | C20 | H201 | 109.5° | 109.5° |
| C18 | C20 | H202 | 109.5° | 109.4° |
| C18 | C20 | H203 | 109.5° | 109.5° |
| O4 | C19 | N2 | 122.1° | 120.0° |
| C19 | N2 | C10 | 116.3° | 120.0° |
| C19 | N2 | HN2 | 121.9° | 120.0° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| C10 | N2 | HN2 | 121.8° | 120.1° |
| N2 | C10 | C11 | 108.8° | 109.5° |
| N2 | C10 | C12 | 110.6° | 109.5° |
| N2 | C10 | H10 | 111.3° | 109.5° |
| C11 | C10 | C12 | 115.0° | 109.5° |
| C11 | C10 | H10 | 106.5° | 109.5° |
| C10 | C11 | O2 | 120.7° | 120.0° |
| C10 | C11 | N1 | 115.9° | 120.0° |
| C12 | C10 | H10 | 104.6° | 109.4° |
| C10 | C12 | CG2 | 111.5° | 109.5° |
| C10 | C12 | CG1 | 110.6° | 109.5° |
| C10 | C12 | H12 | 107.9° | 109.5° |
| O2 | C11 | N1 | 123.4° | 120.0° |
| C11 | N1 | C1 | 122.7° | 120.0° |
| C11 | N1 | HN1 | 118.6° | 120.0° |
| CG2 | C12 | CG1 | 111.1° | 109.5° |
| CG2 | C12 | H12 | 107.3° | 109.4° |
| C12 | CG2 | HG21 | 109.5° | 109.5° |
| C12 | CG2 | HG22 | 109.5° | 109.5° |
| C12 | CG2 | HG23 | 109.4° | 109.5° |
| CG1 | C12 | H12 | 108.2° | 109.5° |
| C12 | CG1 | HG11 | 109.5° | 109.5° |
| C12 | CG1 | HG12 | 109.5° | 109.5° |
| C12 | CG1 | HG13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.4° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.5° | 109.4° |
| HG11 | CG1 | HG13 | 109.4° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.4° |
| O1 | C2 | C1 | 107.0° | 109.5° |
| O1 | C2 | H2 | 112.4° | 109.5° |
| O1 | C2 | C52 | 108.7° | 109.5° |
| C2 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C1 | C2 | C52 | 111.9° | 109.5° |
| C2 | C1 | N1 | 111.5° | 109.5° |
| C2 | C1 | C3 | 106.4° | 109.5° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| H2 | C2 | C52 | 107.6° | 109.5° |
| C2 | C52 | C51 | 114.5° | 109.4° |
| C2 | C52 | O51 | 108.0° | 109.5° |
| C2 | C52 | H52 | 106.3° | 109.4° |
| N1 | C1 | C3 | 108.5° | 109.5° |
| N1 | C1 | H1 | 107.9° | 109.5° |
| C1 | N1 | HN1 | 118.7° | 120.0° |
| C3 | C1 | H1 | 112.7° | 109.5° |
| C1 | C3 | C4 | 109.2° | 109.5° |
| C1 | C3 | H31 | 109.5° | 109.5° |
| C1 | C3 | H32 | 109.6° | 109.5° |
| C4 | C3 | H31 | 109.6° | 109.5° |
| C4 | C3 | H32 | 109.5° | 109.4° |
| C3 | C4 | C5 | 119.1° | 120.0° |
| C3 | C4 | C9 | 119.3° | 120.0° |
| H31 | C3 | H32 | 109.4° | 109.4° |
| C5 | C4 | C9 | 121.6° | 120.0° |
| C4 | C5 | C6 | 119.1° | 120.0° |
| C4 | C5 | H5 | 120.5° | 120.0° |
| C4 | C9 | C8 | 119.1° | 120.0° |
| C4 | C9 | H9 | 120.5° | 120.0° |
| C6 | C5 | H5 | 120.5° | 120.0° |
| C5 | C6 | C7 | 119.2° | 120.0° |
| C5 | C6 | H6 | 120.4° | 120.0° |
| C8 | C9 | H9 | 120.4° | 120.0° |
| C9 | C8 | C7 | 119.9° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.0° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | C8 | 121.1° | 120.0° |
| C6 | C7 | H7 | 119.4° | 120.0° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C8 | C7 | H7 | 119.5° | 120.0° |
| C51 | N51 | HN51 | 116.9° | 119.9° |
| C51 | N51 | C61 | 126.1° | 120.0° |
| N51 | C51 | C52 | 110.2° | 109.5° |
| N51 | C51 | C53 | 113.8° | 109.5° |
| N51 | C51 | H51 | 104.3° | 109.5° |
| HN51 | N51 | C61 | 117.0° | 120.1° |
| N51 | C61 | C60 | 115.3° | 120.0° |
| N51 | C61 | O52 | 123.1° | 120.0° |
| C52 | C51 | C53 | 103.3° | 109.5° |
| C52 | C51 | H51 | 114.6° | 109.6° |
| C51 | C52 | O51 | 107.0° | 109.5° |
| C51 | C52 | H52 | 107.4° | 109.5° |
| C53 | C51 | H51 | 111.0° | 109.4° |
| C51 | C53 | C54 | 118.3° | 109.5° |
| C51 | C53 | H531 | 106.7° | 109.5° |
| C51 | C53 | H532 | 106.6° | 109.5° |
| O51 | C52 | H52 | 113.8° | 109.5° |
| C52 | O51 | HO51 | 109.5° | 114.0° |
| C54 | C53 | H531 | 106.6° | 109.5° |
| C54 | C53 | H532 | 106.6° | 109.5° |
| C53 | C54 | C55 | 119.8° | 120.0° |
| C53 | C54 | C59 | 120.0° | 120.0° |
| H531 | C53 | H532 | 112.1° | 109.5° |
| C55 | C54 | C59 | 120.2° | 120.0° |
| C54 | C55 | C56 | 119.4° | 120.0° |
| C54 | C55 | H55 | 120.3° | 120.1° |
| C54 | C59 | C58 | 120.7° | 120.0° |
| C54 | C59 | H59 | 119.6° | 120.0° |
| C56 | C55 | H55 | 120.3° | 120.0° |
| C55 | C56 | C57 | 120.8° | 120.0° |
| C55 | C56 | H56 | 119.6° | 120.0° |
| C58 | C59 | H59 | 119.7° | 120.0° |
| C59 | C58 | C57 | 118.6° | 120.0° |
| C59 | C58 | H58 | 120.7° | 120.0° |
| C57 | C56 | H56 | 119.6° | 120.0° |
| C56 | C57 | C58 | 120.3° | 120.0° |
| C56 | C57 | H57 | 119.8° | 119.9° |
| C57 | C58 | H58 | 120.7° | 120.0° |
| C58 | C57 | H57 | 119.8° | 120.1° |
| C60 | N52 | HN52 | 117.2° | 120.0° |
| C60 | N52 | C69 | 125.6° | 120.1° |
| N52 | C60 | C61 | 104.2° | 109.5° |
| N52 | C60 | C62 | 110.7° | 109.5° |
| N52 | C60 | H60 | 114.2° | 109.5° |
| HN52 | N52 | C69 | 117.2° | 120.0° |
| N52 | C69 | C68 | 114.1° | 120.0° |
| N52 | C69 | O54 | 126.3° | 120.0° |
| C61 | C60 | C62 | 114.9° | 109.5° |
| C61 | C60 | H60 | 109.9° | 109.5° |
| C60 | C61 | O52 | 121.4° | 120.0° |
| C62 | C60 | H60 | 103.3° | 109.4° |
| C60 | C62 | CG6 | 115.6° | 109.4° |
| C60 | C62 | CG5 | 113.1° | 109.4° |
| C60 | C62 | H62 | 102.0° | 109.4° |
| CG6 | C62 | CG5 | 108.7° | 109.5° |
| CG6 | C62 | H62 | 107.1° | 109.5° |
| C62 | CG6 | HG61 | 109.5° | 109.5° |
| C62 | CG6 | HG62 | 109.5° | 109.4° |
| C62 | CG6 | HG63 | 109.4° | 109.5° |
| CG5 | C62 | H62 | 109.9° | 109.5° |
| C62 | CG5 | HG51 | 109.5° | 109.5° |
| C62 | CG5 | HG52 | 109.4° | 109.5° |
| C62 | CG5 | HG53 | 109.5° | 109.5° |
| HG61 | CG6 | HG62 | 109.5° | 109.5° |
| HG61 | CG6 | HG63 | 109.5° | 109.5° |
| HG62 | CG6 | HG63 | 109.5° | 109.5° |
| HG51 | CG5 | HG52 | 109.5° | 109.5° |
| HG51 | CG5 | HG53 | 109.4° | 109.5° |
| HG52 | CG5 | HG53 | 109.5° | 109.5° |
| C68 | N54 | HN54 | 119.7° | 120.0° |
| C68 | N54 | C81 | 120.5° | 120.0° |
| N54 | C68 | C69 | 107.1° | 109.5° |
| N54 | C68 | C70 | 109.8° | 109.4° |
| N54 | C68 | H68 | 112.0° | 109.4° |
| HN54 | N54 | C81 | 119.8° | 120.0° |
| N54 | C81 | O58 | 125.1° | 120.0° |
| N54 | C81 | O59 | 117.4° | 120.0° |
| C69 | C68 | C70 | 112.8° | 109.5° |
| C69 | C68 | H68 | 109.0° | 109.5° |
| C68 | C69 | O54 | 119.6° | 120.0° |
| C70 | C68 | H68 | 106.2° | 109.5° |
| C68 | C70 | H701 | 109.5° | 109.5° |
| C68 | C70 | H702 | 109.5° | 109.5° |
| C68 | C70 | H703 | 109.5° | 109.5° |
| H701 | C70 | H702 | 109.5° | 109.5° |
| H701 | C70 | H703 | 109.4° | 109.5° |
| H702 | C70 | H703 | 109.5° | 109.4° |
| O58 | C81 | O59 | 117.5° | 120.0° |
| C81 | O59 | CA5 | 115.2° | 117.0° |
| O59 | CA5 | C50 | 114.0° | 109.5° |
| O59 | CA5 | HA51 | 108.0° | 109.5° |
| O59 | CA5 | HA52 | 108.0° | 109.5° |
| C50 | CA5 | HA51 | 108.0° | 109.5° |
| C50 | CA5 | HA52 | 108.0° | 109.5° |
| CA5 | C50 | C63 | 118.2° | 120.0° |
| CA5 | C50 | C67 | 122.6° | 120.0° |
| HA51 | CA5 | HA52 | 110.9° | 109.4° |
| C63 | C50 | C67 | 119.2° | 120.0° |
| C50 | C63 | C64 | 120.8° | 120.0° |
| C50 | C63 | H63 | 119.6° | 120.0° |
| C50 | C67 | C66 | 120.1° | 120.0° |
| C50 | C67 | H67 | 120.0° | 120.0° |
| C64 | C63 | H63 | 119.6° | 120.0° |
| C63 | C64 | C65 | 120.3° | 120.0° |
| C63 | C64 | H64 | 119.8° | 120.0° |
| C65 | C64 | H64 | 119.8° | 120.0° |
| C64 | C65 | C66 | 119.2° | 120.0° |
| C64 | C65 | H65 | 120.4° | 120.0° |
| C66 | C65 | H65 | 120.4° | 120.0° |
| C65 | C66 | C67 | 120.4° | 120.0° |
| C65 | C66 | H66 | 119.8° | 120.0° |
| C67 | C66 | H66 | 119.8° | 120.0° |
| C66 | C67 | H67 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C31 | O9 | N4 | 179.2° | 179.7° |
| O8 | C31 | O9 | CA | 6.3° | 0.0° |
| O8 | C31 | N4 | C18 | 15.6° | 0.0° |
| O8 | C31 | N4 | HN4 | 164.4° | 180.0° |
| C31 | O9 | CA | C | 69.0° | 180.0° |
| C31 | O9 | CA | HA1 | 51.0° | 60.0° |
| C31 | O9 | CA | HA2 | 171.0° | 60.0° |
| O9 | C31 | N4 | C18 | 165.2° | 179.7° |
| O9 | C31 | N4 | HN4 | 14.8° | 0.3° |
| N4 | C31 | O9 | CA | 172.9° | 179.7° |
| C31 | N4 | C18 | HN4 | 180.0° | 180.0° |
| C31 | N4 | C18 | C19 | 109.1° | 155.0° |
| C31 | N4 | C18 | C20 | 130.0° | 85.0° |
| C31 | N4 | C18 | H18 | 9.0° | 35.0° |
| O9 | CA | C | HA1 | 120.0° | 120.0° |
| O9 | CA | C | HA2 | 120.0° | 120.0° |
| O9 | CA | HA1 | HA2 | 120.1° | 119.9° |
| O9 | CA | C | C13 | 162.6° | 90.0° |
| O9 | CA | C | C17 | 19.0° | 90.3° |
| C | CA | HA1 | HA2 | 120.0° | 120.0° |
| CA | C | C13 | C17 | 178.4° | 179.7° |
| CA | C | C13 | C14 | 179.4° | 180.0° |
| CA | C | C13 | H13 | 0.5° | 0.0° |
| CA | C | C17 | C16 | 179.7° | 179.8° |
| CA | C | C17 | H17 | 0.3° | 0.0° |
| HA1 | CA | C | C13 | 42.6° | 30.0° |
| HA1 | CA | C | C17 | 139.0° | 149.7° |
| HA2 | CA | C | C13 | 77.4° | 150.0° |
| HA2 | CA | C | C17 | 101.0° | 29.7° |
| C | C13 | C14 | H13 | 180.0° | 180.0° |
| C | C13 | C14 | C15 | 0.4° | 0.0° |
| C | C13 | C14 | H14 | 179.6° | 179.9° |
| C13 | C | C17 | C16 | 1.3° | 0.5° |
| C13 | C | C17 | H17 | 178.7° | 179.8° |
| C17 | C | C13 | C14 | 1.0° | 0.2° |
| C17 | C | C13 | H13 | 178.9° | 179.7° |
| C | C17 | C16 | C15 | 1.0° | 0.4° |
| C | C17 | C16 | H17 | 180.0° | 179.8° |
| C | C17 | C16 | H16 | 179.0° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| H13 | C13 | C14 | C15 | 179.6° | 180.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.4° | 0.2° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | H17 | 179.0° | 179.8° |
| H15 | C15 | C16 | C17 | 179.6° | 179.8° |
| H15 | C15 | C16 | H16 | 0.4° | 0.0° |
| H16 | C16 | C17 | H17 | 1.0° | 0.1° |
| N4 | C18 | C19 | C20 | 119.6° | 120.0° |
| N4 | C18 | C19 | H18 | 119.5° | 120.0° |
| N4 | C18 | C20 | H18 | 119.5° | 120.0° |
| N4 | C18 | C19 | O4 | 47.1° | 0.0° |
| N4 | C18 | C19 | N2 | 134.0° | 180.0° |
| N4 | C18 | C20 | H201 | 180.0° | 180.0° |
| N4 | C18 | C20 | H202 | 60.0° | 60.0° |
| N4 | C18 | C20 | H203 | 60.0° | 60.0° |
| HN4 | N4 | C18 | C19 | 70.9° | 25.0° |
| HN4 | N4 | C18 | C20 | 50.0° | 95.0° |
| HN4 | N4 | C18 | H18 | 171.0° | 145.0° |
| C19 | C18 | C20 | H18 | 118.2° | 120.0° |
| C18 | C19 | O4 | N2 | 178.8° | 180.0° |
| C19 | C18 | C20 | H201 | 57.7° | 60.1° |
| C19 | C18 | C20 | H202 | 177.7° | 180.0° |
| C19 | C18 | C20 | H203 | 62.3° | 60.0° |
| C18 | C19 | N2 | C10 | 170.7° | 180.0° |
| C18 | C19 | N2 | HN2 | 9.3° | 0.0° |
| C20 | C18 | C19 | O4 | 72.5° | 120.0° |
| C20 | C18 | C19 | N2 | 106.4° | 60.0° |
| C18 | C20 | H201 | H202 | 120.0° | 119.9° |
| C18 | C20 | H201 | H203 | 120.0° | 120.1° |
| C18 | C20 | H202 | H203 | 120.0° | 120.0° |
| H18 | C18 | C19 | O4 | 166.6° | 120.0° |
| H18 | C18 | C19 | N2 | 14.6° | 60.0° |
| H18 | C18 | C20 | H201 | 60.5° | 59.9° |
| H18 | C18 | C20 | H202 | 59.5° | 60.0° |
| H18 | C18 | C20 | H203 | 179.5° | 180.0° |
| O4 | C19 | N2 | C10 | 8.1° | 0.0° |
| O4 | C19 | N2 | HN2 | 171.8° | 180.0° |
| C19 | N2 | C10 | HN2 | 180.0° | 180.0° |
| C19 | N2 | C10 | C11 | 124.7° | 155.0° |
| C19 | N2 | C10 | C12 | 108.2° | 85.0° |
| C19 | N2 | C10 | H10 | 7.6° | 34.9° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| N2 | C10 | C11 | C12 | 124.6° | 120.0° |
| N2 | C10 | C11 | H10 | 120.1° | 120.1° |
| N2 | C10 | C12 | H10 | 119.9° | 120.0° |
| N2 | C10 | C11 | O2 | 57.6° | 10.2° |
| N2 | C10 | C11 | N1 | 121.5° | 169.9° |
| N2 | C10 | C12 | CG2 | 71.7° | 66.8° |
| N2 | C10 | C12 | CG1 | 164.1° | 173.2° |
| N2 | C10 | C12 | H12 | 45.9° | 53.2° |
| HN2 | N2 | C10 | C11 | 55.4° | 25.0° |
| HN2 | N2 | C10 | C12 | 71.8° | 95.0° |
| HN2 | N2 | C10 | H10 | 172.4° | 145.0° |
| C11 | C10 | C12 | H10 | 116.4° | 120.0° |
| C10 | C11 | O2 | N1 | 179.0° | 180.0° |
| C11 | C10 | C12 | CG2 | 164.6° | 53.2° |
| C11 | C10 | C12 | CG1 | 40.4° | 66.8° |
| C11 | C10 | C12 | H12 | 77.8° | 173.1° |
| C10 | C11 | N1 | C1 | 178.1° | 174.8° |
| C10 | C11 | N1 | HN1 | 1.9° | 5.2° |
| C12 | C10 | C11 | O2 | 67.0° | 109.8° |
| C12 | C10 | C11 | N1 | 113.9° | 70.1° |
| C10 | C12 | CG2 | CG1 | 123.9° | 120.0° |
| C10 | C12 | CG2 | H12 | 117.9° | 120.0° |
| C10 | C12 | CG1 | H12 | 118.0° | 120.0° |
| C10 | C12 | CG2 | HG21 | 180.0° | 60.0° |
| C10 | C12 | CG2 | HG22 | 60.0° | 180.0° |
| C10 | C12 | CG2 | HG23 | 60.0° | 60.0° |
| C10 | C12 | CG1 | HG11 | 180.0° | 54.4° |
| C10 | C12 | CG1 | HG12 | 60.0° | 174.3° |
| C10 | C12 | CG1 | HG13 | 60.0° | 65.7° |
| H10 | C10 | C11 | O2 | 177.7° | 130.2° |
| H10 | C10 | C11 | N1 | 1.4° | 49.8° |
| H10 | C10 | C12 | CG2 | 48.2° | 173.2° |
| H10 | C10 | C12 | CG1 | 76.0° | 53.2° |
| H10 | C10 | C12 | H12 | 165.8° | 66.9° |
| O2 | C11 | N1 | C1 | 0.9° | 5.3° |
| O2 | C11 | N1 | HN1 | 179.1° | 174.7° |
| C11 | N1 | C1 | C2 | 118.8° | 146.3° |
| C11 | N1 | C1 | HN1 | 180.0° | 180.0° |
| C11 | N1 | C1 | C3 | 124.3° | 93.7° |
| C11 | N1 | C1 | H1 | 1.9° | 26.3° |
| CG2 | C12 | CG1 | H12 | 117.6° | 120.0° |
| C12 | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| C12 | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| C12 | CG2 | HG22 | HG23 | 119.9° | 120.0° |
| CG2 | C12 | CG1 | HG11 | 55.6° | 174.3° |
| CG2 | C12 | CG1 | HG12 | 175.6° | 65.7° |
| CG2 | C12 | CG1 | HG13 | 64.4° | 54.3° |
| CG1 | C12 | CG2 | HG21 | 56.1° | 60.0° |
| CG1 | C12 | CG2 | HG22 | 64.0° | 60.0° |
| CG1 | C12 | CG2 | HG23 | 176.1° | 180.0° |
| C12 | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| C12 | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| C12 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| H12 | C12 | CG2 | HG21 | 62.1° | 180.0° |
| H12 | C12 | CG2 | HG22 | 177.9° | 60.0° |
| H12 | C12 | CG2 | HG23 | 57.9° | 60.0° |
| H12 | C12 | CG1 | HG11 | 62.0° | 65.7° |
| H12 | C12 | CG1 | HG12 | 58.0° | 54.3° |
| H12 | C12 | CG1 | HG13 | 178.0° | 174.3° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| O1 | C2 | C1 | H2 | 122.0° | 120.0° |
| O1 | C2 | C1 | C52 | 118.9° | 120.0° |
| O1 | C2 | H2 | C52 | 119.6° | 120.0° |
| O1 | C2 | C1 | N1 | 60.4° | 53.5° |
| O1 | C2 | C1 | C3 | 57.8° | 66.5° |
| O1 | C2 | C1 | H1 | 179.9° | 173.5° |
| O1 | C2 | C52 | C51 | 171.2° | 66.2° |
| O1 | C2 | C52 | O51 | 52.1° | 53.8° |
| O1 | C2 | C52 | H52 | 70.4° | 173.8° |
| C1 | C2 | H2 | C52 | 121.7° | 120.0° |
| C1 | C2 | O1 | HO1 | 180.0° | 59.9° |
| C2 | C1 | N1 | C3 | 116.9° | 120.0° |
| C2 | C1 | N1 | H1 | 120.7° | 120.0° |
| C2 | C1 | C3 | H1 | 120.5° | 120.0° |
| C2 | C1 | N1 | HN1 | 61.2° | 33.7° |
| C2 | C1 | C3 | C4 | 175.6° | 175.0° |
| C2 | C1 | C3 | H31 | 64.4° | 65.0° |
| C2 | C1 | C3 | H32 | 55.7° | 55.0° |
| C1 | C2 | C52 | C51 | 70.8° | 173.8° |
| C1 | C2 | C52 | O51 | 170.1° | 66.1° |
| C1 | C2 | C52 | H52 | 47.5° | 53.9° |
| H2 | C2 | O1 | HO1 | 60.1° | 179.9° |
| H2 | C2 | C1 | N1 | 177.6° | 173.4° |
| H2 | C2 | C1 | C3 | 64.2° | 53.4° |
| H2 | C2 | C1 | H1 | 58.2° | 66.6° |
| H2 | C2 | C52 | C51 | 49.2° | 53.8° |
| H2 | C2 | C52 | O51 | 69.9° | 173.8° |
| H2 | C2 | C52 | H52 | 167.6° | 66.2° |
| C52 | C2 | O1 | HO1 | 58.9° | 60.1° |
| C52 | C2 | C1 | N1 | 58.6° | 66.5° |
| C52 | C2 | C1 | C3 | 176.7° | 173.5° |
| C52 | C2 | C1 | H1 | 60.9° | 53.5° |
| C2 | C52 | C51 | N51 | 56.9° | 64.8° |
| C2 | C52 | C51 | O51 | 119.6° | 120.0° |
| C2 | C52 | C51 | H52 | 117.8° | 119.9° |
| C2 | C52 | C51 | C53 | 178.9° | 175.2° |
| C2 | C52 | C51 | H51 | 60.2° | 55.2° |
| C2 | C52 | O51 | H52 | 117.8° | 120.0° |
| C2 | C52 | O51 | HO51 | 180.0° | 66.9° |
| N1 | C1 | C3 | H1 | 119.4° | 120.0° |
| N1 | C1 | C3 | C4 | 64.3° | 65.0° |
| N1 | C1 | C3 | H31 | 55.7° | 55.0° |
| N1 | C1 | C3 | H32 | 175.7° | 175.0° |
| C3 | C1 | N1 | HN1 | 55.7° | 86.3° |
| C1 | C3 | C4 | H31 | 120.0° | 120.1° |
| C1 | C3 | C4 | H32 | 120.0° | 120.0° |
| C1 | C3 | H31 | H32 | 120.1° | 120.0° |
| C1 | C3 | C4 | C5 | 129.5° | 89.9° |
| C1 | C3 | C4 | C9 | 50.6° | 90.2° |
| H1 | C1 | N1 | HN1 | 178.1° | 153.7° |
| H1 | C1 | C3 | C4 | 55.1° | 55.0° |
| H1 | C1 | C3 | H31 | 175.1° | 175.0° |
| H1 | C1 | C3 | H32 | 64.8° | 65.0° |
| C4 | C3 | H31 | H32 | 120.1° | 119.9° |
| C3 | C4 | C5 | C9 | 179.9° | 179.8° |
| C3 | C4 | C5 | C6 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 0.2° | 0.1° |
| C3 | C4 | C9 | C8 | 179.9° | 180.0° |
| C3 | C4 | C9 | H9 | 0.1° | 0.0° |
| H31 | C3 | C4 | C5 | 9.5° | 30.1° |
| H31 | C3 | C4 | C9 | 170.6° | 149.7° |
| H32 | C3 | C4 | C5 | 110.5° | 150.0° |
| H32 | C3 | C4 | C9 | 69.4° | 29.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 0.2° | 0.2° |
| C5 | C4 | C9 | H9 | 179.8° | 179.8° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C9 | C4 | C5 | C6 | 0.1° | 0.2° |
| C9 | C4 | C5 | H5 | 180.0° | 179.7° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.6° | 0.0° |
| C4 | C9 | C8 | H8 | 179.4° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.4° | 0.3° |
| C5 | C6 | C7 | H7 | 179.6° | 179.9° |
| H5 | C5 | C6 | C7 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| C9 | C8 | C7 | C6 | 0.7° | 0.2° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | H7 | 179.3° | 180.0° |
| H9 | C9 | C8 | C7 | 179.4° | 180.0° |
| H9 | C9 | C8 | H8 | 0.6° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | H8 | 179.3° | 179.7° |
| H6 | C6 | C7 | C8 | 179.6° | 179.8° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| H8 | C8 | C7 | H7 | 0.7° | 0.1° |
| C51 | N51 | HN51 | C61 | 180.0° | 180.0° |
| N51 | C51 | C52 | C53 | 122.0° | 120.0° |
| N51 | C51 | C52 | H51 | 117.2° | 120.0° |
| N51 | C51 | C53 | H51 | 117.3° | 119.9° |
| N51 | C51 | C52 | O51 | 62.7° | 55.2° |
| N51 | C51 | C52 | H52 | 174.7° | 175.2° |
| N51 | C51 | C53 | C54 | 26.1° | 65.0° |
| N51 | C51 | C53 | H531 | 94.0° | 55.0° |
| N51 | C51 | C53 | H532 | 146.1° | 175.0° |
| C51 | N51 | C61 | C60 | 171.1° | 173.9° |
| C51 | N51 | C61 | O52 | 13.8° | 6.2° |
| HN51 | N51 | C51 | C52 | 63.6° | 35.0° |
| HN51 | N51 | C51 | C53 | 52.0° | 85.0° |
| HN51 | N51 | C51 | H51 | 173.1° | 155.1° |
| HN51 | N51 | C61 | C60 | 8.9° | 6.1° |
| HN51 | N51 | C61 | O52 | 166.2° | 173.8° |
| C61 | N51 | C51 | C52 | 116.4° | 145.0° |
| C61 | N51 | C51 | C53 | 128.0° | 95.0° |
| C61 | N51 | C51 | H51 | 6.9° | 24.9° |
| N51 | C61 | C60 | N52 | 75.3° | 173.2° |
| N51 | C61 | C60 | O52 | 175.2° | 180.0° |
| N51 | C61 | C60 | C62 | 163.4° | 66.8° |
| N51 | C61 | C60 | H60 | 47.4° | 53.2° |
| C52 | C51 | C53 | H51 | 123.3° | 120.1° |
| C51 | C52 | O51 | H52 | 118.5° | 120.0° |
| C51 | C52 | O51 | HO51 | 56.3° | 53.1° |
| C52 | C51 | C53 | C54 | 145.5° | 175.0° |
| C52 | C51 | C53 | H531 | 25.5° | 65.0° |
| C52 | C51 | C53 | H532 | 94.5° | 55.0° |
| C53 | C51 | C52 | O51 | 59.3° | 64.8° |
| C53 | C51 | C52 | H52 | 63.3° | 55.2° |
| C51 | C53 | C54 | H531 | 120.0° | 120.0° |
| C51 | C53 | C54 | H532 | 120.0° | 120.0° |
| C51 | C53 | H531 | H532 | 116.4° | 120.0° |
| C51 | C53 | C54 | C55 | 61.5° | 90.0° |
| C51 | C53 | C54 | C59 | 120.5° | 90.3° |
| H51 | C51 | C52 | O51 | 179.9° | 175.2° |
| H51 | C51 | C52 | H52 | 57.5° | 64.7° |
| H51 | C51 | C53 | C54 | 91.2° | 54.9° |
| H51 | C51 | C53 | H531 | 148.8° | 175.0° |
| H51 | C51 | C53 | H532 | 28.8° | 65.1° |
| H52 | C52 | O51 | HO51 | 62.2° | 173.1° |
| C54 | C53 | H531 | H532 | 116.3° | 120.0° |
| C53 | C54 | C55 | C59 | 178.0° | 179.7° |
| C53 | C54 | C55 | C56 | 179.3° | 180.0° |
| C53 | C54 | C55 | H55 | 0.7° | 0.1° |
| C53 | C54 | C59 | C58 | 179.0° | 180.0° |
| C53 | C54 | C59 | H59 | 1.1° | 0.0° |
| H531 | C53 | C54 | C55 | 178.5° | 30.0° |
| H531 | C53 | C54 | C59 | 0.4° | 149.7° |
| H532 | C53 | C54 | C55 | 58.5° | 150.0° |
| H532 | C53 | C54 | C59 | 119.5° | 29.7° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C55 | C54 | C59 | C58 | 1.0° | 0.3° |
| C55 | C54 | C59 | H59 | 179.1° | 179.7° |
| C54 | C55 | C56 | C57 | 1.4° | 0.0° |
| C54 | C55 | C56 | H56 | 178.6° | 179.9° |
| C59 | C54 | C55 | C56 | 1.2° | 0.3° |
| C59 | C54 | C55 | H55 | 178.8° | 179.8° |
| C54 | C59 | C58 | H59 | 180.0° | 180.0° |
| C54 | C59 | C58 | C57 | 0.8° | 0.0° |
| C54 | C59 | C58 | H58 | 179.2° | 180.0° |
| C55 | C56 | C57 | H56 | 180.0° | 179.9° |
| C55 | C56 | C57 | C58 | 1.3° | 0.3° |
| C55 | C56 | C57 | H57 | 178.7° | 180.0° |
| H55 | C55 | C56 | C57 | 178.6° | 179.9° |
| H55 | C55 | C56 | H56 | 1.4° | 0.0° |
| C59 | C58 | C57 | C56 | 1.0° | 0.3° |
| C59 | C58 | C57 | H58 | 180.0° | 180.0° |
| C59 | C58 | C57 | H57 | 179.0° | 179.9° |
| H59 | C59 | C58 | C57 | 179.2° | 180.0° |
| H59 | C59 | C58 | H58 | 0.8° | 0.0° |
| C56 | C57 | C58 | H57 | 180.0° | 179.8° |
| C56 | C57 | C58 | H58 | 179.0° | 179.7° |
| H56 | C56 | C57 | C58 | 178.7° | 179.8° |
| H56 | C56 | C57 | H57 | 1.3° | 0.1° |
| H58 | C58 | C57 | H57 | 1.0° | 0.0° |
| C60 | N52 | HN52 | C69 | 180.0° | 180.0° |
| N52 | C60 | C61 | C62 | 121.2° | 120.0° |
| N52 | C60 | C61 | H60 | 122.8° | 120.0° |
| N52 | C60 | C62 | H60 | 122.7° | 120.0° |
| N52 | C60 | C61 | O52 | 99.8° | 6.8° |
| N52 | C60 | C62 | CG6 | 46.4° | 67.7° |
| N52 | C60 | C62 | CG5 | 172.6° | 172.3° |
| N52 | C60 | C62 | H62 | 69.4° | 52.2° |
| C60 | N52 | C69 | C68 | 176.8° | 180.0° |
| C60 | N52 | C69 | O54 | 0.3° | 0.0° |
| HN52 | N52 | C60 | C61 | 41.6° | 25.0° |
| HN52 | N52 | C60 | C62 | 82.4° | 95.0° |
| HN52 | N52 | C60 | H60 | 161.5° | 145.0° |
| HN52 | N52 | C69 | C68 | 3.3° | 0.0° |
| HN52 | N52 | C69 | O54 | 179.7° | 180.0° |
| C69 | N52 | C60 | C61 | 138.4° | 155.0° |
| C69 | N52 | C60 | C62 | 97.6° | 85.0° |
| C69 | N52 | C60 | H60 | 18.5° | 35.0° |
| N52 | C69 | C68 | N54 | 127.8° | 180.0° |
| N52 | C69 | C68 | O54 | 177.3° | 180.0° |
| N52 | C69 | C68 | C70 | 111.3° | 60.0° |
| N52 | C69 | C68 | H68 | 6.4° | 60.0° |
| C61 | C60 | C62 | H60 | 119.7° | 120.0° |
| C61 | C60 | C62 | CG6 | 164.0° | 52.3° |
| C61 | C60 | C62 | CG5 | 69.7° | 67.7° |
| C61 | C60 | C62 | H62 | 48.2° | 172.3° |
| C62 | C60 | C61 | O52 | 21.4° | 113.2° |
| C60 | C62 | CG6 | CG5 | 128.5° | 120.0° |
| C60 | C62 | CG6 | H62 | 112.9° | 119.9° |
| C60 | C62 | CG5 | H62 | 113.3° | 120.0° |
| C60 | C62 | CG6 | HG61 | 180.0° | 60.0° |
| C60 | C62 | CG6 | HG62 | 60.0° | 180.0° |
| C60 | C62 | CG6 | HG63 | 60.0° | 60.0° |
| C60 | C62 | CG5 | HG51 | 180.0° | 52.3° |
| C60 | C62 | CG5 | HG52 | 60.0° | 172.4° |
| C60 | C62 | CG5 | HG53 | 60.0° | 67.7° |
| H60 | C60 | C61 | O52 | 137.4° | 126.8° |
| H60 | C60 | C62 | CG6 | 76.3° | 172.3° |
| H60 | C60 | C62 | CG5 | 50.0° | 52.3° |
| H60 | C60 | C62 | H62 | 167.9° | 67.7° |
| CG6 | C62 | CG5 | H62 | 116.9° | 120.1° |
| C62 | CG6 | HG61 | HG62 | 120.0° | 119.9° |
| C62 | CG6 | HG61 | HG63 | 120.0° | 120.0° |
| C62 | CG6 | HG62 | HG63 | 120.0° | 120.0° |
| CG6 | C62 | CG5 | HG51 | 50.2° | 172.3° |
| CG6 | C62 | CG5 | HG52 | 170.2° | 67.7° |
| CG6 | C62 | CG5 | HG53 | 69.8° | 52.3° |
| CG5 | C62 | CG6 | HG61 | 51.5° | 59.9° |
| CG5 | C62 | CG6 | HG62 | 68.5° | 60.0° |
| CG5 | C62 | CG6 | HG63 | 171.5° | 180.0° |
| C62 | CG5 | HG51 | HG52 | 120.0° | 120.0° |
| C62 | CG5 | HG51 | HG53 | 120.0° | 120.0° |
| C62 | CG5 | HG52 | HG53 | 120.0° | 120.0° |
| H62 | C62 | CG6 | HG61 | 67.1° | 179.9° |
| H62 | C62 | CG6 | HG62 | 172.9° | 60.1° |
| H62 | C62 | CG6 | HG63 | 52.9° | 59.9° |
| H62 | C62 | CG5 | HG51 | 66.7° | 67.6° |
| H62 | C62 | CG5 | HG52 | 53.3° | 52.4° |
| H62 | C62 | CG5 | HG53 | 173.3° | 172.4° |
| HG61 | CG6 | HG62 | HG63 | 120.0° | 120.1° |
| HG51 | CG5 | HG52 | HG53 | 120.0° | 120.0° |
| C68 | N54 | HN54 | C81 | 180.0° | 179.9° |
| N54 | C68 | C69 | C70 | 120.9° | 120.0° |
| N54 | C68 | C69 | H68 | 121.4° | 120.0° |
| N54 | C68 | C70 | H68 | 121.3° | 119.9° |
| N54 | C68 | C69 | O54 | 49.5° | 0.0° |
| N54 | C68 | C70 | H701 | 180.0° | 60.0° |
| N54 | C68 | C70 | H702 | 60.0° | 180.0° |
| N54 | C68 | C70 | H703 | 60.0° | 60.0° |
| C68 | N54 | C81 | O58 | 29.0° | 0.0° |
| C68 | N54 | C81 | O59 | 152.0° | 180.0° |
| HN54 | N54 | C68 | C69 | 62.2° | 25.0° |
| HN54 | N54 | C68 | C70 | 60.6° | 95.0° |
| HN54 | N54 | C68 | H68 | 178.4° | 145.0° |
| HN54 | N54 | C81 | O58 | 151.0° | 180.0° |
| HN54 | N54 | C81 | O59 | 28.0° | 0.0° |
| C81 | N54 | C68 | C69 | 117.8° | 155.0° |
| C81 | N54 | C68 | C70 | 119.4° | 85.0° |
| C81 | N54 | C68 | H68 | 1.6° | 35.0° |
| N54 | C81 | O58 | O59 | 179.0° | 180.0° |
| N54 | C81 | O59 | CA5 | 176.5° | 180.0° |
| C69 | C68 | C70 | H68 | 119.3° | 120.1° |
| C69 | C68 | C70 | H701 | 60.6° | 60.0° |
| C69 | C68 | C70 | H702 | 179.3° | 60.0° |
| C69 | C68 | C70 | H703 | 59.3° | 180.0° |
| C70 | C68 | C69 | O54 | 71.4° | 120.0° |
| C68 | C70 | H701 | H702 | 120.0° | 120.0° |
| C68 | C70 | H701 | H703 | 120.0° | 120.0° |
| C68 | C70 | H702 | H703 | 120.0° | 120.0° |
| H68 | C68 | C69 | O54 | 170.9° | 119.9° |
| H68 | C68 | C70 | H701 | 58.7° | 179.9° |
| H68 | C68 | C70 | H702 | 61.4° | 60.0° |
| H68 | C68 | C70 | H703 | 178.7° | 59.9° |
| H701 | C70 | H702 | H703 | 120.0° | 120.0° |
| O58 | C81 | O59 | CA5 | 4.4° | 0.0° |
| C81 | O59 | CA5 | C50 | 90.7° | 180.0° |
| C81 | O59 | CA5 | HA51 | 29.3° | 59.9° |
| C81 | O59 | CA5 | HA52 | 149.3° | 60.0° |
| O59 | CA5 | C50 | HA51 | 120.0° | 120.0° |
| O59 | CA5 | C50 | HA52 | 120.0° | 120.0° |
| O59 | CA5 | HA51 | HA52 | 118.1° | 119.9° |
| O59 | CA5 | C50 | C63 | 164.4° | 90.0° |
| O59 | CA5 | C50 | C67 | 15.3° | 90.3° |
| C50 | CA5 | HA51 | HA52 | 118.1° | 120.0° |
| CA5 | C50 | C63 | C67 | 179.7° | 179.7° |
| CA5 | C50 | C63 | C64 | 179.8° | 180.0° |
| CA5 | C50 | C63 | H63 | 0.3° | 0.0° |
| CA5 | C50 | C67 | C66 | 179.4° | 179.8° |
| CA5 | C50 | C67 | H67 | 0.6° | 0.1° |
| HA51 | CA5 | C50 | C63 | 75.6° | 30.0° |
| HA51 | CA5 | C50 | C67 | 104.7° | 149.7° |
| HA52 | CA5 | C50 | C63 | 44.3° | 150.0° |
| HA52 | CA5 | C50 | C67 | 135.3° | 29.7° |
| C50 | C63 | C64 | H63 | 180.0° | 179.9° |
| C50 | C63 | C64 | C65 | 0.3° | 0.1° |
| C50 | C63 | C64 | H64 | 179.7° | 180.0° |
| C63 | C50 | C67 | C66 | 1.0° | 0.5° |
| C63 | C50 | C67 | H67 | 179.0° | 179.8° |
| C67 | C50 | C63 | C64 | 0.6° | 0.3° |
| C67 | C50 | C63 | H63 | 179.4° | 179.7° |
| C50 | C67 | C66 | C65 | 1.1° | 0.5° |
| C50 | C67 | C66 | H67 | 180.0° | 179.7° |
| C50 | C67 | C66 | H66 | 178.9° | 179.7° |
| C63 | C64 | C65 | H64 | 180.0° | 180.0° |
| C63 | C64 | C65 | C66 | 0.4° | 0.0° |
| C63 | C64 | C65 | H65 | 179.6° | 180.0° |
| H63 | C63 | C64 | C65 | 179.7° | 180.0° |
| H63 | C63 | C64 | H64 | 0.3° | 0.0° |
| C64 | C65 | C66 | H65 | 180.0° | 180.0° |
| C64 | C65 | C66 | C67 | 0.8° | 0.2° |
| C64 | C65 | C66 | H66 | 179.2° | 180.0° |
| H64 | C64 | C65 | C66 | 179.6° | 180.0° |
| H64 | C64 | C65 | H65 | 0.4° | 0.0° |
| C65 | C66 | C67 | H66 | 180.0° | 179.8° |
| C65 | C66 | C67 | H67 | 178.9° | 179.8° |
| H65 | C65 | C66 | C67 | 179.2° | 179.8° |
| H65 | C65 | C66 | H66 | 0.8° | 0.0° |
| H66 | C66 | C67 | H67 | 1.1° | 0.0° |
