BAY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.49Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| C1 | H13A | sing | 1.09Å | 1.12Å | |
| C2 | C4 | sing | 1.53Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C2 | H23 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | H31A | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C4 | S5 | sing | 1.81Å | 1.81Å | |
| S5 | O6 | doub | 1.42Å | 1.42Å | |
| S5 | O7 | doub | 1.42Å | 1.32Å | |
| S5 | C8 | sing | 1.81Å | 1.82Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.57Å | |
| C9 | C21 | sing | 1.51Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.36Å | 1.41Å | Aromatic |
| C11 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.36Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C15 | C20 | sing | 1.42Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.36Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.36Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.41Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C21 | O22 | doub | 1.21Å | 1.24Å | |
| C21 | N23 | sing | 1.35Å | 1.33Å | |
| N23 | C24 | sing | 1.46Å | 1.46Å | |
| N23 | HN2 | sing | 0.97Å | 1.02Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C28 | sing | 1.51Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C28 | O29 | doub | 1.21Å | 1.23Å | |
| C28 | N30 | sing | 1.35Å | 1.34Å | |
| N30 | C31 | sing | 1.46Å | 1.53Å | |
| N30 | HN3 | sing | 0.97Å | 1.02Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C39 | sing | 1.53Å | 1.58Å | |
| C31 | H31 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.43Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.44Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | O40 | sing | 1.43Å | 1.46Å | |
| C39 | C41 | sing | 1.53Å | 1.56Å | |
| C39 | H39 | sing | 1.09Å | 1.12Å | |
| O40 | HO4 | sing | 0.97Å | 0.95Å | |
| C41 | O42 | sing | 1.43Å | 1.42Å | |
| C41 | C43 | sing | 1.53Å | 1.54Å | |
| C41 | H41 | sing | 1.09Å | 1.11Å | |
| O42 | HO2 | sing | 0.97Å | 0.95Å | |
| C43 | C44 | sing | 1.53Å | 1.55Å | |
| C43 | N51 | sing | 1.47Å | 1.48Å | |
| C43 | H43 | sing | 1.09Å | 1.11Å | |
| C44 | C45 | sing | 1.51Å | 1.52Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C45 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| C45 | C50 | sing | 1.38Å | 1.41Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.43Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.10Å | |
| C47 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C48 | C49 | sing | 1.38Å | 1.41Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C49 | C50 | doub | 1.38Å | 1.42Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.10Å | |
| C50 | H50 | sing | 1.08Å | 1.10Å | |
| N51 | C52 | sing | 1.35Å | 1.34Å | |
| N51 | HN5 | sing | 0.97Å | 1.02Å | |
| C52 | O53 | doub | 1.21Å | 1.24Å | |
| C52 | C54 | sing | 1.51Å | 1.54Å | |
| C54 | C55 | sing | 1.53Å | 1.57Å | |
| C54 | N58 | sing | 1.47Å | 1.50Å | |
| C54 | H54 | sing | 1.09Å | 1.11Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | C57 | sing | 1.53Å | 1.52Å | |
| C55 | H55 | sing | 1.09Å | 1.11Å | |
| C56 | H561 | sing | 1.09Å | 1.12Å | |
| C56 | H562 | sing | 1.09Å | 1.11Å | |
| C56 | H563 | sing | 1.09Å | 1.11Å | |
| C57 | H571 | sing | 1.09Å | 1.12Å | |
| C57 | H572 | sing | 1.09Å | 1.12Å | |
| C57 | H573 | sing | 1.09Å | 1.11Å | |
| N58 | C59 | sing | 1.35Å | 1.36Å | |
| N58 | HN8 | sing | 0.97Å | 1.02Å | |
| C59 | O60 | doub | 1.21Å | 1.24Å | |
| C59 | C61 | sing | 1.51Å | 1.51Å | |
| C61 | C62 | sing | 1.53Å | 1.55Å | |
| C61 | C73 | sing | 1.53Å | 1.56Å | |
| C61 | H61 | sing | 1.09Å | 1.12Å | |
| C62 | C63 | sing | 1.51Å | 1.52Å | |
| C62 | H621 | sing | 1.09Å | 1.12Å | |
| C62 | H622 | sing | 1.09Å | 1.11Å | |
| C63 | C64 | doub | 1.36Å | 1.42Å | Aromatic |
| C63 | C72 | sing | 1.40Å | 1.40Å | Aromatic |
| C64 | C65 | sing | 1.39Å | 1.41Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | doub | 1.36Å | 1.40Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | C67 | sing | 1.41Å | 1.40Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| C67 | C68 | doub | 1.41Å | 1.42Å | Aromatic |
| C67 | C72 | sing | 1.42Å | 1.43Å | Aromatic |
| C68 | C69 | sing | 1.36Å | 1.42Å | Aromatic |
| C68 | H68 | sing | 1.08Å | 1.10Å | |
| C69 | C70 | doub | 1.39Å | 1.41Å | Aromatic |
| C69 | H69 | sing | 1.08Å | 1.10Å | |
| C70 | C71 | sing | 1.36Å | 1.43Å | Aromatic |
| C70 | H70 | sing | 1.08Å | 1.10Å | |
| C71 | C72 | doub | 1.41Å | 1.42Å | Aromatic |
| C71 | H71 | sing | 1.08Å | 1.10Å | |
| C73 | S74 | sing | 1.81Å | 1.83Å | |
| C73 | H731 | sing | 1.09Å | 1.11Å | |
| C73 | H732 | sing | 1.09Å | 1.11Å | |
| S74 | O75 | doub | 1.42Å | 1.64Å | |
| S74 | O76 | doub | 1.42Å | 1.57Å | |
| S74 | C77 | sing | 1.81Å | 1.78Å | |
| C77 | C78 | sing | 1.53Å | 1.50Å | |
| C77 | C79 | sing | 1.53Å | 1.59Å | |
| C77 | C80 | sing | 1.53Å | 1.58Å | |
| C78 | H781 | sing | 1.09Å | 1.11Å | |
| C78 | H782 | sing | 1.09Å | 1.11Å | |
| C78 | H783 | sing | 1.09Å | 1.11Å | |
| C79 | H791 | sing | 1.09Å | 1.11Å | |
| C79 | H792 | sing | 1.09Å | 1.11Å | |
| C79 | H793 | sing | 1.09Å | 1.12Å | |
| C80 | H801 | sing | 1.09Å | 1.11Å | |
| C80 | H802 | sing | 1.09Å | 1.12Å | |
| C80 | H803 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | H11 | 103.6° | 109.5° |
| C4 | C1 | H12A | 114.4° | 109.5° |
| C4 | C1 | H13A | 114.4° | 109.5° |
| C1 | C4 | C2 | 103.6° | 109.5° |
| C1 | C4 | C3 | 106.7° | 109.5° |
| C1 | C4 | S5 | 121.8° | 109.5° |
| H11 | C1 | H12A | 114.5° | 109.5° |
| H11 | C1 | H13A | 114.5° | 109.4° |
| H12A | C1 | H13A | 96.1° | 109.4° |
| C4 | C2 | H21 | 103.6° | 109.4° |
| C4 | C2 | H22 | 114.5° | 109.4° |
| C4 | C2 | H23 | 114.4° | 109.5° |
| C2 | C4 | C3 | 104.4° | 109.4° |
| C2 | C4 | S5 | 107.3° | 109.5° |
| H21 | C2 | H22 | 114.4° | 109.5° |
| H21 | C2 | H23 | 114.4° | 109.5° |
| H22 | C2 | H23 | 96.1° | 109.6° |
| C4 | C3 | H31A | 106.7° | 109.4° |
| C4 | C3 | H32 | 113.3° | 109.5° |
| C4 | C3 | H33 | 113.3° | 109.5° |
| C3 | C4 | S5 | 111.6° | 109.5° |
| H31A | C3 | H32 | 113.2° | 109.4° |
| H31A | C3 | H33 | 113.2° | 109.5° |
| H32 | C3 | H33 | 97.2° | 109.5° |
| C4 | S5 | O6 | 95.4° | 109.0° |
| C4 | S5 | O7 | 118.6° | 108.9° |
| C4 | S5 | C8 | 96.6° | 99.4° |
| O6 | S5 | O7 | 120.1° | 119.6° |
| O6 | S5 | C8 | 96.1° | 109.1° |
| O7 | S5 | C8 | 123.7° | 109.0° |
| S5 | C8 | C9 | 122.1° | 109.5° |
| S5 | C8 | H81 | 107.7° | 109.5° |
| S5 | C8 | H82 | 107.7° | 109.4° |
| C9 | C8 | H81 | 107.7° | 109.5° |
| C9 | C8 | H82 | 107.7° | 109.5° |
| C8 | C9 | C10 | 104.9° | 109.5° |
| C8 | C9 | C21 | 110.5° | 109.5° |
| C8 | C9 | H9 | 110.7° | 109.5° |
| H81 | C8 | H82 | 102.1° | 109.4° |
| C10 | C9 | C21 | 106.2° | 109.5° |
| C10 | C9 | H9 | 114.7° | 109.5° |
| C9 | C10 | C11 | 107.1° | 109.5° |
| C9 | C10 | H101 | 113.1° | 109.5° |
| C9 | C10 | H102 | 113.1° | 109.5° |
| C21 | C9 | H9 | 109.6° | 109.4° |
| C9 | C21 | O22 | 120.7° | 120.0° |
| C9 | C21 | N23 | 117.3° | 120.1° |
| C11 | C10 | H101 | 113.0° | 109.5° |
| C11 | C10 | H102 | 113.1° | 109.5° |
| C10 | C11 | C12 | 117.1° | 120.2° |
| C10 | C11 | C20 | 119.7° | 120.2° |
| H101 | C10 | H102 | 97.4° | 109.4° |
| C12 | C11 | C20 | 123.2° | 119.7° |
| C11 | C12 | C13 | 118.4° | 121.0° |
| C11 | C12 | H12 | 121.0° | 119.5° |
| C11 | C20 | C15 | 117.6° | 119.4° |
| C11 | C20 | C19 | 122.2° | 121.3° |
| C13 | C12 | H12 | 120.6° | 119.5° |
| C12 | C13 | C14 | 119.6° | 121.0° |
| C12 | C13 | H13 | 119.9° | 119.5° |
| C14 | C13 | H13 | 120.5° | 119.5° |
| C13 | C14 | C15 | 121.7° | 119.7° |
| C13 | C14 | H14 | 119.6° | 120.2° |
| C15 | C14 | H14 | 118.8° | 120.1° |
| C14 | C15 | C16 | 121.3° | 121.3° |
| C14 | C15 | C20 | 119.6° | 119.3° |
| C16 | C15 | C20 | 119.2° | 119.3° |
| C15 | C16 | C17 | 120.9° | 119.7° |
| C15 | C16 | H16 | 119.3° | 120.1° |
| C15 | C20 | C19 | 120.2° | 119.4° |
| C17 | C16 | H16 | 119.8° | 120.2° |
| C16 | C17 | C18 | 119.8° | 121.0° |
| C16 | C17 | H17 | 120.8° | 119.5° |
| C18 | C17 | H17 | 119.4° | 119.5° |
| C17 | C18 | C19 | 120.4° | 121.0° |
| C17 | C18 | H18 | 118.8° | 119.5° |
| C19 | C18 | H18 | 120.8° | 119.5° |
| C18 | C19 | C20 | 119.6° | 119.7° |
| C18 | C19 | H19 | 120.4° | 120.2° |
| C20 | C19 | H19 | 120.0° | 120.2° |
| O22 | C21 | N23 | 122.0° | 120.0° |
| C21 | N23 | C24 | 120.1° | 120.0° |
| C21 | N23 | HN2 | 115.5° | 120.0° |
| C24 | N23 | HN2 | 124.4° | 120.0° |
| N23 | C24 | C25 | 117.4° | 109.5° |
| N23 | C24 | C28 | 106.3° | 109.5° |
| N23 | C24 | H24 | 107.6° | 109.5° |
| C25 | C24 | C28 | 113.2° | 109.5° |
| C25 | C24 | H24 | 99.9° | 109.5° |
| C24 | C25 | C26 | 120.2° | 109.5° |
| C24 | C25 | C27 | 109.5° | 109.4° |
| C24 | C25 | H25 | 102.1° | 109.5° |
| C28 | C24 | H24 | 112.4° | 109.5° |
| C24 | C28 | O29 | 123.7° | 120.0° |
| C24 | C28 | N30 | 114.2° | 120.0° |
| C26 | C25 | C27 | 111.0° | 109.5° |
| C26 | C25 | H25 | 100.3° | 109.5° |
| C25 | C26 | H261 | 120.2° | 109.5° |
| C25 | C26 | H262 | 108.4° | 109.4° |
| C25 | C26 | H263 | 108.3° | 109.5° |
| C27 | C25 | H25 | 113.2° | 109.4° |
| C25 | C27 | H271 | 109.4° | 109.5° |
| C25 | C27 | H272 | 112.2° | 109.5° |
| C25 | C27 | H273 | 112.2° | 109.4° |
| H261 | C26 | H262 | 108.4° | 109.4° |
| H261 | C26 | H263 | 108.4° | 109.4° |
| H262 | C26 | H263 | 101.6° | 109.5° |
| H271 | C27 | H272 | 112.2° | 109.5° |
| H271 | C27 | H273 | 112.2° | 109.5° |
| H272 | C27 | H273 | 98.2° | 109.5° |
| O29 | C28 | N30 | 122.1° | 119.9° |
| C28 | N30 | C31 | 118.2° | 120.0° |
| C28 | N30 | HN3 | 114.9° | 120.0° |
| C31 | N30 | HN3 | 127.0° | 120.0° |
| N30 | C31 | C32 | 109.2° | 109.5° |
| N30 | C31 | C39 | 105.8° | 109.5° |
| N30 | C31 | H31 | 110.1° | 109.5° |
| C32 | C31 | C39 | 103.1° | 109.5° |
| C32 | C31 | H31 | 112.5° | 109.4° |
| C31 | C32 | C33 | 116.7° | 109.5° |
| C31 | C32 | H321 | 109.6° | 109.5° |
| C31 | C32 | H322 | 109.7° | 109.5° |
| C39 | C31 | H31 | 115.6° | 109.5° |
| C31 | C39 | O40 | 103.6° | 109.5° |
| C31 | C39 | C41 | 117.0° | 109.4° |
| C31 | C39 | H39 | 110.4° | 109.5° |
| C33 | C32 | H321 | 109.6° | 109.5° |
| C33 | C32 | H322 | 109.6° | 109.5° |
| C32 | C33 | C34 | 121.3° | 120.0° |
| C32 | C33 | C38 | 118.9° | 120.0° |
| H321 | C32 | H322 | 100.5° | 109.5° |
| C34 | C33 | C38 | 119.8° | 120.0° |
| C33 | C34 | C35 | 119.5° | 120.0° |
| C33 | C34 | H34 | 118.9° | 120.0° |
| C33 | C38 | C37 | 120.9° | 120.0° |
| C33 | C38 | H38 | 120.6° | 120.0° |
| C35 | C34 | H34 | 121.6° | 120.1° |
| C34 | C35 | C36 | 120.1° | 120.0° |
| C34 | C35 | H35 | 120.7° | 120.0° |
| C36 | C35 | H35 | 119.2° | 120.0° |
| C35 | C36 | C37 | 120.0° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
| C37 | C36 | H36 | 120.0° | 120.0° |
| C36 | C37 | C38 | 119.6° | 120.0° |
| C36 | C37 | H37 | 120.6° | 120.0° |
| C38 | C37 | H37 | 119.7° | 120.0° |
| C37 | C38 | H38 | 118.4° | 120.0° |
| O40 | C39 | C41 | 114.4° | 109.5° |
| O40 | C39 | H39 | 113.2° | 109.5° |
| C39 | O40 | HO4 | 103.6° | 106.8° |
| C41 | C39 | H39 | 98.7° | 109.4° |
| C39 | C41 | O42 | 113.6° | 109.5° |
| C39 | C41 | C43 | 122.7° | 109.5° |
| C39 | C41 | H41 | 94.6° | 109.5° |
| O42 | C41 | C43 | 107.4° | 109.4° |
| O42 | C41 | H41 | 114.7° | 109.5° |
| C41 | O42 | HO2 | 113.6° | 106.8° |
| C43 | C41 | H41 | 102.9° | 109.4° |
| C41 | C43 | C44 | 114.3° | 109.5° |
| C41 | C43 | N51 | 109.4° | 109.4° |
| C41 | C43 | H43 | 106.0° | 109.5° |
| C44 | C43 | N51 | 109.1° | 109.5° |
| C44 | C43 | H43 | 106.5° | 109.5° |
| C43 | C44 | C45 | 114.7° | 109.4° |
| C43 | C44 | H441 | 110.3° | 109.5° |
| C43 | C44 | H442 | 110.2° | 109.5° |
| N51 | C43 | H43 | 111.5° | 109.5° |
| C43 | N51 | C52 | 123.2° | 119.9° |
| C43 | N51 | HN5 | 123.5° | 120.0° |
| C45 | C44 | H441 | 110.3° | 109.5° |
| C45 | C44 | H442 | 110.3° | 109.5° |
| C44 | C45 | C46 | 124.1° | 120.0° |
| C44 | C45 | C50 | 115.3° | 120.0° |
| H441 | C44 | H442 | 100.0° | 109.5° |
| C46 | C45 | C50 | 120.6° | 120.0° |
| C45 | C46 | C47 | 119.7° | 120.0° |
| C45 | C46 | H46 | 119.4° | 120.1° |
| C45 | C50 | C49 | 120.0° | 120.0° |
| C45 | C50 | H50 | 119.6° | 120.0° |
| C47 | C46 | H46 | 120.9° | 119.9° |
| C46 | C47 | C48 | 119.4° | 120.0° |
| C46 | C47 | H47 | 121.1° | 120.0° |
| C48 | C47 | H47 | 119.5° | 120.0° |
| C47 | C48 | C49 | 120.9° | 120.0° |
| C47 | C48 | H48 | 119.3° | 120.0° |
| C49 | C48 | H48 | 119.7° | 120.0° |
| C48 | C49 | C50 | 119.4° | 119.9° |
| C48 | C49 | H49 | 120.0° | 120.1° |
| C50 | C49 | H49 | 120.6° | 120.0° |
| C49 | C50 | H50 | 120.4° | 120.0° |
| C52 | N51 | HN5 | 113.3° | 120.0° |
| N51 | C52 | O53 | 130.3° | 120.0° |
| N51 | C52 | C54 | 114.9° | 120.0° |
| O53 | C52 | C54 | 114.8° | 120.0° |
| C52 | C54 | C55 | 108.4° | 109.4° |
| C52 | C54 | N58 | 107.1° | 109.5° |
| C52 | C54 | H54 | 111.4° | 109.5° |
| C55 | C54 | N58 | 108.5° | 109.5° |
| C55 | C54 | H54 | 110.1° | 109.4° |
| C54 | C55 | C56 | 110.1° | 109.5° |
| C54 | C55 | C57 | 118.0° | 109.5° |
| C54 | C55 | H55 | 103.8° | 109.5° |
| N58 | C54 | H54 | 111.3° | 109.5° |
| C54 | N58 | C59 | 118.3° | 120.0° |
| C54 | N58 | HN8 | 125.3° | 120.0° |
| C56 | C55 | C57 | 112.2° | 109.5° |
| C56 | C55 | H55 | 110.7° | 109.5° |
| C55 | C56 | H561 | 110.1° | 109.5° |
| C55 | C56 | H562 | 112.0° | 109.5° |
| C55 | C56 | H563 | 112.0° | 109.4° |
| C57 | C55 | H55 | 101.2° | 109.4° |
| C55 | C57 | H571 | 118.0° | 109.4° |
| C55 | C57 | H572 | 109.2° | 109.4° |
| C55 | C57 | H573 | 109.2° | 109.5° |
| H561 | C56 | H562 | 111.9° | 109.4° |
| H561 | C56 | H563 | 111.9° | 109.5° |
| H562 | C56 | H563 | 98.5° | 109.5° |
| H571 | C57 | H572 | 109.1° | 109.5° |
| H571 | C57 | H573 | 109.1° | 109.5° |
| H572 | C57 | H573 | 101.0° | 109.5° |
| C59 | N58 | HN8 | 116.4° | 120.0° |
| N58 | C59 | O60 | 122.8° | 120.0° |
| N58 | C59 | C61 | 114.1° | 120.0° |
| O60 | C59 | C61 | 123.0° | 120.0° |
| C59 | C61 | C62 | 104.5° | 109.5° |
| C59 | C61 | C73 | 116.1° | 109.5° |
| C59 | C61 | H61 | 107.0° | 109.5° |
| C62 | C61 | C73 | 104.4° | 109.4° |
| C62 | C61 | H61 | 118.3° | 109.5° |
| C61 | C62 | C63 | 110.8° | 109.5° |
| C61 | C62 | H621 | 111.7° | 109.5° |
| C61 | C62 | H622 | 111.7° | 109.5° |
| C73 | C61 | H61 | 107.1° | 109.5° |
| C61 | C73 | S74 | 110.1° | 109.5° |
| C61 | C73 | H731 | 112.0° | 109.4° |
| C61 | C73 | H732 | 112.0° | 109.5° |
| C63 | C62 | H621 | 111.7° | 109.4° |
| C63 | C62 | H622 | 111.7° | 109.5° |
| C62 | C63 | C64 | 119.2° | 120.1° |
| C62 | C63 | C72 | 120.9° | 120.2° |
| H621 | C62 | H622 | 98.7° | 109.5° |
| C64 | C63 | C72 | 119.9° | 119.7° |
| C63 | C64 | C65 | 119.1° | 121.0° |
| C63 | C64 | H64 | 120.8° | 119.6° |
| C63 | C72 | C67 | 120.4° | 119.3° |
| C63 | C72 | C71 | 119.9° | 121.3° |
| C65 | C64 | H64 | 120.1° | 119.5° |
| C64 | C65 | C66 | 120.8° | 121.0° |
| C64 | C65 | H65 | 119.9° | 119.6° |
| C66 | C65 | H65 | 119.2° | 119.4° |
| C65 | C66 | C67 | 120.8° | 119.6° |
| C65 | C66 | H66 | 119.8° | 120.2° |
| C67 | C66 | H66 | 119.4° | 120.2° |
| C66 | C67 | C68 | 119.8° | 121.3° |
| C66 | C67 | C72 | 119.0° | 119.3° |
| C68 | C67 | C72 | 121.2° | 119.3° |
| C67 | C68 | C69 | 118.4° | 119.7° |
| C67 | C68 | H68 | 120.8° | 120.1° |
| C67 | C72 | C71 | 119.7° | 119.4° |
| C69 | C68 | H68 | 120.8° | 120.2° |
| C68 | C69 | C70 | 121.0° | 121.0° |
| C68 | C69 | H69 | 119.6° | 119.5° |
| C70 | C69 | H69 | 119.3° | 119.5° |
| C69 | C70 | C71 | 120.7° | 121.0° |
| C69 | C70 | H70 | 119.0° | 119.6° |
| C71 | C70 | H70 | 120.3° | 119.5° |
| C70 | C71 | C72 | 118.9° | 119.6° |
| C70 | C71 | H71 | 120.9° | 120.2° |
| C72 | C71 | H71 | 120.2° | 120.2° |
| S74 | C73 | H731 | 112.0° | 109.5° |
| S74 | C73 | H732 | 111.9° | 109.5° |
| C73 | S74 | O75 | 114.2° | 108.9° |
| C73 | S74 | O76 | 121.4° | 109.0° |
| C73 | S74 | C77 | 102.0° | 99.4° |
| H731 | C73 | H732 | 98.5° | 109.4° |
| O75 | S74 | O76 | 101.5° | 119.6° |
| O75 | S74 | C77 | 106.7° | 109.0° |
| O76 | S74 | C77 | 110.6° | 109.1° |
| S74 | C77 | C78 | 117.5° | 109.4° |
| S74 | C77 | C79 | 121.8° | 109.4° |
| S74 | C77 | C80 | 115.2° | 109.5° |
| C78 | C77 | C79 | 90.1° | 109.5° |
| C78 | C77 | C80 | 119.4° | 109.5° |
| C77 | C78 | H781 | 117.4° | 109.4° |
| C77 | C78 | H782 | 109.3° | 109.5° |
| C77 | C78 | H783 | 109.3° | 109.5° |
| C79 | C77 | C80 | 86.4° | 109.5° |
| C77 | C79 | H791 | 121.9° | 109.5° |
| C77 | C79 | H792 | 107.8° | 109.5° |
| C77 | C79 | H793 | 107.8° | 109.4° |
| C77 | C80 | H801 | 115.3° | 109.5° |
| C77 | C80 | H802 | 110.2° | 109.5° |
| C77 | C80 | H803 | 110.1° | 109.5° |
| H781 | C78 | H782 | 109.4° | 109.4° |
| H781 | C78 | H783 | 109.4° | 109.5° |
| H782 | C78 | H783 | 100.8° | 109.5° |
| H791 | C79 | H792 | 107.8° | 109.5° |
| H791 | C79 | H793 | 107.7° | 109.4° |
| H792 | C79 | H793 | 102.1° | 109.5° |
| H801 | C80 | H802 | 110.0° | 109.4° |
| H801 | C80 | H803 | 110.1° | 109.4° |
| H802 | C80 | H803 | 100.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | H11 | H12A | 125.2° | 120.1° |
| C4 | C1 | H11 | H13A | 125.2° | 120.0° |
| C4 | C1 | H12A | H13A | 120.3° | 120.0° |
| C1 | C4 | C2 | C3 | 111.5° | 119.9° |
| C1 | C4 | C2 | S5 | 130.0° | 120.1° |
| C1 | C4 | C2 | H21 | 180.0° | 60.0° |
| C1 | C4 | C2 | H22 | 54.8° | 180.0° |
| C1 | C4 | C2 | H23 | 54.8° | 59.9° |
| C1 | C4 | C3 | S5 | 135.2° | 120.0° |
| C1 | C4 | C3 | H31A | 180.0° | 60.0° |
| C1 | C4 | C3 | H32 | 54.8° | 59.9° |
| C1 | C4 | C3 | H33 | 54.8° | 180.0° |
| C1 | C4 | S5 | O6 | 30.0° | 66.0° |
| C1 | C4 | S5 | O7 | 158.8° | 66.0° |
| C1 | C4 | S5 | C8 | 66.8° | 180.0° |
| H11 | C1 | H12A | H13A | 120.4° | 119.9° |
| H11 | C1 | C4 | C2 | 180.0° | 60.1° |
| H11 | C1 | C4 | C3 | 70.2° | 180.0° |
| H11 | C1 | C4 | S5 | 59.4° | 60.0° |
| H12A | C1 | C4 | C2 | 54.7° | 60.0° |
| H12A | C1 | C4 | C3 | 164.6° | 59.9° |
| H12A | C1 | C4 | S5 | 65.9° | 179.9° |
| H13A | C1 | C4 | C2 | 54.7° | 180.0° |
| H13A | C1 | C4 | C3 | 55.1° | 60.1° |
| H13A | C1 | C4 | S5 | 175.4° | 60.0° |
| C4 | C2 | H21 | H22 | 125.3° | 119.9° |
| C4 | C2 | H21 | H23 | 125.3° | 120.0° |
| C4 | C2 | H22 | H23 | 120.4° | 120.1° |
| C2 | C4 | C3 | S5 | 115.5° | 120.0° |
| C2 | C4 | C3 | H31A | 70.7° | 180.0° |
| C2 | C4 | C3 | H32 | 164.1° | 60.0° |
| C2 | C4 | C3 | H33 | 54.5° | 60.1° |
| C2 | C4 | S5 | O6 | 148.9° | 174.0° |
| C2 | C4 | S5 | O7 | 82.3° | 54.0° |
| C2 | C4 | S5 | C8 | 52.1° | 59.9° |
| H21 | C2 | H22 | H23 | 120.3° | 120.0° |
| H21 | C2 | C4 | C3 | 68.5° | 180.0° |
| H21 | C2 | C4 | S5 | 50.0° | 60.0° |
| H22 | C2 | C4 | C3 | 56.7° | 60.1° |
| H22 | C2 | C4 | S5 | 175.2° | 59.9° |
| H23 | C2 | C4 | C3 | 166.3° | 60.0° |
| H23 | C2 | C4 | S5 | 75.2° | 180.0° |
| C4 | C3 | H31A | H32 | 125.3° | 120.0° |
| C4 | C3 | H31A | H33 | 125.3° | 120.0° |
| C4 | C3 | H32 | H33 | 119.2° | 120.1° |
| C3 | C4 | S5 | O6 | 97.4° | 54.0° |
| C3 | C4 | S5 | O7 | 31.4° | 174.0° |
| C3 | C4 | S5 | C8 | 165.8° | 60.0° |
| H31A | C3 | H32 | H33 | 119.1° | 120.0° |
| H31A | C3 | C4 | S5 | 44.8° | 60.0° |
| H32 | C3 | C4 | S5 | 80.4° | 180.0° |
| H33 | C3 | C4 | S5 | 170.0° | 60.0° |
| C4 | S5 | O6 | O7 | 127.7° | 126.1° |
| C4 | S5 | O6 | C8 | 97.3° | 107.6° |
| C4 | S5 | O7 | C8 | 121.4° | 107.5° |
| C4 | S5 | C8 | C9 | 178.6° | 171.7° |
| C4 | S5 | C8 | H81 | 53.3° | 51.6° |
| C4 | S5 | C8 | H82 | 56.1° | 68.3° |
| O6 | S5 | O7 | C8 | 122.4° | 126.3° |
| O6 | S5 | C8 | C9 | 85.2° | 74.3° |
| O6 | S5 | C8 | H81 | 149.6° | 165.6° |
| O6 | S5 | C8 | H82 | 40.1° | 45.6° |
| O7 | S5 | C8 | C9 | 47.5° | 57.8° |
| O7 | S5 | C8 | H81 | 77.7° | 62.3° |
| O7 | S5 | C8 | H82 | 172.8° | 177.8° |
| S5 | C8 | C9 | H81 | 125.2° | 120.1° |
| S5 | C8 | C9 | H82 | 125.3° | 119.9° |
| S5 | C8 | H81 | H82 | 113.3° | 119.9° |
| S5 | C8 | C9 | C10 | 151.7° | 66.6° |
| S5 | C8 | C9 | C21 | 94.2° | 173.3° |
| S5 | C8 | C9 | H9 | 27.5° | 53.4° |
| C9 | C8 | H81 | H82 | 113.3° | 120.0° |
| C8 | C9 | C10 | C21 | 117.1° | 120.0° |
| C8 | C9 | C10 | H9 | 121.7° | 120.0° |
| C8 | C9 | C21 | H9 | 122.3° | 120.0° |
| C8 | C9 | C10 | C11 | 92.2° | 125.2° |
| C8 | C9 | C10 | H101 | 33.1° | 5.1° |
| C8 | C9 | C10 | H102 | 142.6° | 114.8° |
| C8 | C9 | C21 | O22 | 66.3° | 120.0° |
| C8 | C9 | C21 | N23 | 114.0° | 59.9° |
| H81 | C8 | C9 | C10 | 26.5° | 173.3° |
| H81 | C8 | C9 | C21 | 140.6° | 53.2° |
| H81 | C8 | C9 | H9 | 97.8° | 66.7° |
| H82 | C8 | C9 | C10 | 83.0° | 53.3° |
| H82 | C8 | C9 | C21 | 31.1° | 66.7° |
| H82 | C8 | C9 | H9 | 152.7° | 173.4° |
| C10 | C9 | C21 | H9 | 124.4° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 119.0° | 120.0° |
| C9 | C10 | C11 | C12 | 21.5° | 89.1° |
| C9 | C10 | C11 | C20 | 158.7° | 91.1° |
| C10 | C9 | C21 | O22 | 47.0° | 0.1° |
| C10 | C9 | C21 | N23 | 132.8° | 180.0° |
| C21 | C9 | C10 | C11 | 150.7° | 114.8° |
| C21 | C9 | C10 | H101 | 84.0° | 125.2° |
| C21 | C9 | C10 | H102 | 25.5° | 5.2° |
| C9 | C21 | O22 | N23 | 179.7° | 179.9° |
| C9 | C21 | N23 | C24 | 179.5° | 180.0° |
| C9 | C21 | N23 | HN2 | 0.5° | 0.0° |
| H9 | C9 | C10 | C11 | 29.5° | 5.1° |
| H9 | C9 | C10 | H101 | 154.8° | 114.9° |
| H9 | C9 | C10 | H102 | 95.7° | 125.1° |
| H9 | C9 | C21 | O22 | 171.4° | 120.1° |
| H9 | C9 | C21 | N23 | 8.3° | 60.0° |
| C11 | C10 | H101 | H102 | 119.0° | 120.0° |
| C10 | C11 | C12 | C20 | 179.8° | 179.7° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | H12 | 0.1° | 0.0° |
| C10 | C11 | C20 | C15 | 180.0° | 179.7° |
| C10 | C11 | C20 | C19 | 0.1° | 0.5° |
| H101 | C10 | C11 | C12 | 103.8° | 30.9° |
| H101 | C10 | C11 | C20 | 76.0° | 148.9° |
| H102 | C10 | C11 | C12 | 146.7° | 150.8° |
| H102 | C10 | C11 | C20 | 33.4° | 28.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C12 | C11 | C20 | C15 | 0.1° | 0.5° |
| C12 | C11 | C20 | C19 | 180.0° | 179.7° |
| C20 | C11 | C12 | C13 | 0.1° | 0.3° |
| C20 | C11 | C12 | H12 | 180.0° | 179.8° |
| C11 | C20 | C15 | C14 | 0.2° | 0.5° |
| C11 | C20 | C15 | C16 | 179.8° | 179.7° |
| C11 | C20 | C15 | C19 | 179.9° | 179.2° |
| C11 | C20 | C19 | C18 | 179.9° | 179.7° |
| C11 | C20 | C19 | H19 | 0.1° | 0.4° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C15 | C20 | 0.1° | 0.2° |
| H13 | C13 | C14 | C15 | 180.0° | 179.9° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| C14 | C15 | C16 | C20 | 179.9° | 179.8° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 0.0° | 0.0° |
| C14 | C15 | C20 | C19 | 179.9° | 179.7° |
| H14 | C14 | C15 | C16 | 0.1° | 0.0° |
| H14 | C14 | C15 | C20 | 179.9° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.5° |
| C20 | C15 | C16 | C17 | 0.1° | 0.3° |
| C20 | C15 | C16 | H16 | 179.9° | 179.8° |
| C15 | C20 | C19 | C18 | 0.0° | 0.5° |
| C15 | C20 | C19 | H19 | 180.0° | 179.6° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| H16 | C16 | C17 | C18 | 180.0° | 180.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| H17 | C17 | C18 | C19 | 179.8° | 180.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| H18 | C18 | C19 | C20 | 179.9° | 179.8° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| O22 | C21 | N23 | C24 | 0.2° | 0.1° |
| O22 | C21 | N23 | HN2 | 179.8° | 179.9° |
| C21 | N23 | C24 | HN2 | 180.0° | 180.0° |
| C21 | N23 | C24 | C25 | 105.3° | 90.0° |
| C21 | N23 | C24 | C28 | 126.9° | 150.0° |
| C21 | N23 | C24 | H24 | 6.3° | 30.0° |
| N23 | C24 | C25 | C28 | 124.5° | 120.0° |
| N23 | C24 | C25 | H24 | 115.9° | 120.0° |
| N23 | C24 | C28 | H24 | 117.5° | 120.0° |
| N23 | C24 | C25 | C26 | 46.6° | 69.8° |
| N23 | C24 | C25 | C27 | 176.8° | 170.2° |
| N23 | C24 | C25 | H25 | 63.0° | 50.2° |
| N23 | C24 | C28 | O29 | 100.6° | 14.5° |
| N23 | C24 | C28 | N30 | 79.1° | 165.6° |
| HN2 | N23 | C24 | C25 | 74.7° | 90.0° |
| HN2 | N23 | C24 | C28 | 53.1° | 30.0° |
| HN2 | N23 | C24 | H24 | 173.7° | 150.1° |
| C25 | C24 | C28 | H24 | 112.2° | 120.0° |
| C24 | C25 | C26 | C27 | 129.5° | 120.0° |
| C24 | C25 | C26 | H25 | 110.6° | 120.0° |
| C24 | C25 | C27 | H25 | 113.2° | 120.0° |
| C24 | C25 | C26 | H261 | 180.0° | 180.0° |
| C24 | C25 | C26 | H262 | 54.7° | 60.1° |
| C24 | C25 | C26 | H263 | 54.7° | 60.0° |
| C24 | C25 | C27 | H271 | 180.0° | 67.3° |
| C24 | C25 | C27 | H272 | 54.7° | 52.7° |
| C24 | C25 | C27 | H273 | 54.7° | 172.7° |
| C25 | C24 | C28 | O29 | 29.8° | 105.5° |
| C25 | C24 | C28 | N30 | 150.6° | 74.4° |
| C28 | C24 | C25 | C26 | 171.0° | 50.2° |
| C28 | C24 | C25 | C27 | 58.8° | 69.8° |
| C28 | C24 | C25 | H25 | 61.5° | 170.2° |
| C24 | C28 | O29 | N30 | 179.6° | 179.9° |
| C24 | C28 | N30 | C31 | 180.0° | 173.2° |
| C24 | C28 | N30 | HN3 | 0.0° | 6.8° |
| H24 | C24 | C25 | C26 | 69.3° | 170.2° |
| H24 | C24 | C25 | C27 | 60.9° | 50.2° |
| H24 | C24 | C25 | H25 | 178.8° | 69.8° |
| H24 | C24 | C28 | O29 | 142.0° | 134.5° |
| H24 | C24 | C28 | N30 | 38.4° | 45.6° |
| C26 | C25 | C27 | H25 | 111.9° | 120.0° |
| C25 | C26 | H261 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H263 | 125.2° | 120.0° |
| C25 | C26 | H262 | H263 | 113.9° | 120.0° |
| C26 | C25 | C27 | H271 | 45.0° | 52.7° |
| C26 | C25 | C27 | H272 | 170.3° | 172.7° |
| C26 | C25 | C27 | H273 | 80.2° | 67.3° |
| C27 | C25 | C26 | H261 | 50.5° | 60.0° |
| C27 | C25 | C26 | H262 | 74.8° | 180.0° |
| C27 | C25 | C26 | H263 | 175.8° | 60.0° |
| C25 | C27 | H271 | H272 | 125.2° | 120.0° |
| C25 | C27 | H271 | H273 | 125.2° | 120.0° |
| C25 | C27 | H272 | H273 | 118.1° | 120.0° |
| H25 | C25 | C26 | H261 | 69.4° | 60.0° |
| H25 | C25 | C26 | H262 | 165.2° | 60.0° |
| H25 | C25 | C26 | H263 | 55.8° | 180.0° |
| H25 | C25 | C27 | H271 | 66.8° | 172.7° |
| H25 | C25 | C27 | H272 | 58.4° | 67.3° |
| H25 | C25 | C27 | H273 | 167.9° | 52.7° |
| H261 | C26 | H262 | H263 | 114.1° | 119.9° |
| H271 | C27 | H272 | H273 | 118.2° | 120.0° |
| O29 | C28 | N30 | C31 | 0.3° | 6.9° |
| O29 | C28 | N30 | HN3 | 179.6° | 173.2° |
| C28 | N30 | C31 | HN3 | 179.9° | 179.9° |
| C28 | N30 | C31 | C32 | 124.7° | 103.6° |
| C28 | N30 | C31 | C39 | 124.9° | 136.4° |
| C28 | N30 | C31 | H31 | 0.7° | 16.4° |
| N30 | C31 | C32 | C39 | 112.2° | 120.0° |
| N30 | C31 | C32 | H31 | 122.6° | 120.0° |
| N30 | C31 | C39 | H31 | 122.1° | 120.1° |
| N30 | C31 | C32 | C33 | 79.2° | 60.0° |
| N30 | C31 | C32 | H321 | 46.1° | 60.0° |
| N30 | C31 | C32 | H322 | 155.5° | 180.0° |
| N30 | C31 | C39 | O40 | 56.2° | 53.5° |
| N30 | C31 | C39 | C41 | 70.6° | 66.5° |
| N30 | C31 | C39 | H39 | 177.7° | 173.5° |
| HN3 | N30 | C31 | C32 | 55.2° | 76.4° |
| HN3 | N30 | C31 | C39 | 55.2° | 43.6° |
| HN3 | N30 | C31 | H31 | 179.2° | 163.7° |
| C32 | C31 | C39 | H31 | 123.2° | 119.9° |
| C31 | C32 | C33 | H321 | 125.3° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 115.4° | 120.0° |
| C31 | C32 | C33 | C34 | 96.5° | 90.0° |
| C31 | C32 | C33 | C38 | 83.3° | 90.3° |
| C32 | C31 | C39 | O40 | 58.5° | 66.6° |
| C32 | C31 | C39 | C41 | 174.7° | 173.5° |
| C32 | C31 | C39 | H39 | 63.0° | 53.5° |
| C39 | C31 | C32 | C33 | 168.6° | 180.0° |
| C39 | C31 | C32 | H321 | 66.1° | 60.0° |
| C39 | C31 | C32 | H322 | 43.4° | 60.0° |
| C31 | C39 | O40 | C41 | 128.4° | 119.9° |
| C31 | C39 | O40 | H39 | 119.6° | 120.0° |
| C31 | C39 | C41 | H39 | 118.2° | 120.0° |
| C31 | C39 | O40 | HO4 | 180.0° | 62.3° |
| C31 | C39 | C41 | O42 | 176.2° | 62.5° |
| C31 | C39 | C41 | C43 | 51.8° | 177.5° |
| C31 | C39 | C41 | H41 | 56.7° | 57.6° |
| H31 | C31 | C32 | C33 | 43.4° | 60.0° |
| H31 | C31 | C32 | H321 | 168.6° | 180.0° |
| H31 | C31 | C32 | H322 | 81.9° | 59.9° |
| H31 | C31 | C39 | O40 | 178.3° | 173.5° |
| H31 | C31 | C39 | C41 | 51.5° | 53.6° |
| H31 | C31 | C39 | H39 | 60.2° | 66.4° |
| C33 | C32 | H321 | H322 | 115.3° | 120.0° |
| C32 | C33 | C34 | C38 | 179.8° | 179.7° |
| C32 | C33 | C34 | C35 | 179.8° | 180.0° |
| C32 | C33 | C34 | H34 | 0.2° | 0.0° |
| C32 | C33 | C38 | C37 | 179.9° | 179.8° |
| C32 | C33 | C38 | H38 | 0.1° | 0.3° |
| H321 | C32 | C33 | C34 | 138.2° | 30.0° |
| H321 | C32 | C33 | C38 | 42.0° | 149.7° |
| H322 | C32 | C33 | C34 | 28.8° | 150.0° |
| H322 | C32 | C33 | C38 | 151.4° | 29.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.1° |
| C33 | C34 | C35 | H35 | 179.9° | 179.9° |
| C34 | C33 | C38 | C37 | 0.1° | 0.5° |
| C34 | C33 | C38 | H38 | 179.9° | 180.0° |
| C38 | C33 | C34 | C35 | 0.0° | 0.2° |
| C38 | C33 | C34 | H34 | 180.0° | 179.7° |
| C33 | C38 | C37 | C36 | 0.1° | 0.4° |
| C33 | C38 | C37 | H38 | 180.0° | 179.5° |
| C33 | C38 | C37 | H37 | 179.9° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C34 | C35 | C36 | H36 | 179.8° | 179.9° |
| H34 | C34 | C35 | C36 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.1° |
| C35 | C36 | C37 | H37 | 180.0° | 180.0° |
| H35 | C35 | C36 | C37 | 179.9° | 180.0° |
| H35 | C35 | C36 | H36 | 0.2° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H38 | 179.9° | 180.0° |
| H36 | C36 | C37 | C38 | 180.0° | 179.8° |
| H36 | C36 | C37 | H37 | 0.0° | 0.1° |
| H37 | C37 | C38 | H38 | 0.1° | 0.2° |
| O40 | C39 | C41 | H39 | 120.5° | 120.1° |
| O40 | C39 | C41 | O42 | 54.9° | 57.5° |
| O40 | C39 | C41 | C43 | 173.2° | 62.5° |
| O40 | C39 | C41 | H41 | 64.6° | 177.5° |
| C41 | C39 | O40 | HO4 | 51.6° | 57.6° |
| C39 | C41 | O42 | C43 | 139.0° | 120.0° |
| C39 | C41 | O42 | H41 | 107.3° | 120.1° |
| C39 | C41 | C43 | H41 | 104.2° | 120.0° |
| C39 | C41 | O42 | HO2 | 180.0° | 60.0° |
| C39 | C41 | C43 | C44 | 164.7° | 174.8° |
| C39 | C41 | C43 | N51 | 72.6° | 65.2° |
| C39 | C41 | C43 | H43 | 47.8° | 54.8° |
| H39 | C39 | O40 | HO4 | 60.4° | 177.6° |
| H39 | C39 | C41 | O42 | 65.6° | 177.5° |
| H39 | C39 | C41 | C43 | 66.4° | 57.6° |
| H39 | C39 | C41 | H41 | 174.9° | 62.4° |
| O42 | C41 | C43 | H41 | 121.3° | 120.0° |
| O42 | C41 | C43 | C44 | 60.8° | 65.2° |
| O42 | C41 | C43 | N51 | 61.8° | 54.8° |
| O42 | C41 | C43 | H43 | 177.7° | 174.8° |
| C43 | C41 | O42 | HO2 | 40.9° | 60.0° |
| C41 | C43 | C44 | N51 | 122.8° | 120.0° |
| C41 | C43 | C44 | H43 | 116.7° | 120.0° |
| C41 | C43 | N51 | H43 | 117.0° | 120.0° |
| C41 | C43 | C44 | C45 | 178.8° | 180.0° |
| C41 | C43 | C44 | H441 | 56.0° | 60.0° |
| C41 | C43 | C44 | H442 | 53.6° | 60.0° |
| C41 | C43 | N51 | C52 | 104.7° | 143.8° |
| C41 | C43 | N51 | HN5 | 75.3° | 36.3° |
| H41 | C41 | O42 | HO2 | 72.7° | 179.9° |
| H41 | C41 | C43 | C44 | 60.5° | 54.8° |
| H41 | C41 | C43 | N51 | 176.8° | 174.8° |
| H41 | C41 | C43 | H43 | 56.4° | 65.2° |
| C44 | C43 | N51 | H43 | 117.3° | 120.0° |
| C43 | C44 | C45 | H441 | 125.2° | 120.0° |
| C43 | C44 | C45 | H442 | 125.2° | 120.0° |
| C43 | C44 | H441 | H442 | 116.1° | 120.0° |
| C43 | C44 | C45 | C46 | 85.6° | 90.0° |
| C43 | C44 | C45 | C50 | 94.1° | 90.3° |
| C44 | C43 | N51 | C52 | 129.6° | 96.2° |
| C44 | C43 | N51 | HN5 | 50.4° | 83.7° |
| N51 | C43 | C44 | C45 | 58.4° | 60.0° |
| N51 | C43 | C44 | H441 | 66.8° | 59.9° |
| N51 | C43 | C44 | H442 | 176.4° | 180.0° |
| C43 | N51 | C52 | HN5 | 179.9° | 179.9° |
| C43 | N51 | C52 | O53 | 0.0° | 7.5° |
| C43 | N51 | C52 | C54 | 180.0° | 172.4° |
| H43 | C43 | C44 | C45 | 62.1° | 60.0° |
| H43 | C43 | C44 | H441 | 172.7° | 180.0° |
| H43 | C43 | C44 | H442 | 63.1° | 60.0° |
| H43 | C43 | N51 | C52 | 12.3° | 23.8° |
| H43 | C43 | N51 | HN5 | 167.7° | 156.3° |
| C45 | C44 | H441 | H442 | 116.2° | 120.0° |
| C44 | C45 | C46 | C50 | 179.7° | 179.7° |
| C44 | C45 | C46 | C47 | 179.7° | 180.0° |
| C44 | C45 | C46 | H46 | 0.2° | 0.0° |
| C44 | C45 | C50 | C49 | 179.8° | 179.8° |
| C44 | C45 | C50 | H50 | 0.1° | 0.3° |
| H441 | C44 | C45 | C46 | 149.2° | 30.0° |
| H441 | C44 | C45 | C50 | 31.1° | 149.7° |
| H442 | C44 | C45 | C46 | 39.6° | 150.0° |
| H442 | C44 | C45 | C50 | 140.7° | 29.7° |
| C45 | C46 | C47 | H46 | 179.9° | 179.9° |
| C45 | C46 | C47 | C48 | 0.0° | 0.1° |
| C45 | C46 | C47 | H47 | 180.0° | 180.0° |
| C46 | C45 | C50 | C49 | 0.1° | 0.5° |
| C46 | C45 | C50 | H50 | 179.9° | 180.0° |
| C50 | C45 | C46 | C47 | 0.0° | 0.3° |
| C50 | C45 | C46 | H46 | 180.0° | 179.8° |
| C45 | C50 | C49 | C48 | 0.3° | 0.5° |
| C45 | C50 | C49 | H50 | 180.0° | 179.5° |
| C45 | C50 | C49 | H49 | 179.8° | 179.8° |
| C46 | C47 | C48 | H47 | 179.9° | 180.0° |
| C46 | C47 | C48 | C49 | 0.2° | 0.0° |
| C46 | C47 | C48 | H48 | 179.7° | 180.0° |
| H46 | C46 | C47 | C48 | 179.9° | 180.0° |
| H46 | C46 | C47 | H47 | 0.0° | 0.1° |
| C47 | C48 | C49 | H48 | 179.9° | 180.0° |
| C47 | C48 | C49 | C50 | 0.3° | 0.2° |
| C47 | C48 | C49 | H49 | 179.7° | 180.0° |
| H47 | C47 | C48 | C49 | 179.9° | 180.0° |
| H47 | C47 | C48 | H48 | 0.2° | 0.0° |
| C48 | C49 | C50 | H49 | 179.9° | 179.8° |
| C48 | C49 | C50 | H50 | 179.7° | 180.0° |
| H48 | C48 | C49 | C50 | 179.6° | 179.8° |
| H48 | C48 | C49 | H49 | 0.3° | 0.0° |
| H49 | C49 | C50 | H50 | 0.2° | 0.2° |
| N51 | C52 | O53 | C54 | 180.0° | 180.0° |
| N51 | C52 | C54 | C55 | 151.7° | 79.3° |
| N51 | C52 | C54 | N58 | 91.4° | 160.8° |
| N51 | C52 | C54 | H54 | 30.5° | 40.7° |
| HN5 | N51 | C52 | O53 | 180.0° | 172.6° |
| HN5 | N51 | C52 | C54 | 0.0° | 7.5° |
| O53 | C52 | C54 | C55 | 28.3° | 100.8° |
| O53 | C52 | C54 | N58 | 88.6° | 19.2° |
| O53 | C52 | C54 | H54 | 149.5° | 139.3° |
| C52 | C54 | C55 | N58 | 116.0° | 120.0° |
| C52 | C54 | C55 | H54 | 122.0° | 120.0° |
| C52 | C54 | N58 | H54 | 122.0° | 120.1° |
| C52 | C54 | C55 | C56 | 51.4° | 52.0° |
| C52 | C54 | C55 | C57 | 178.1° | 68.0° |
| C52 | C54 | C55 | H55 | 67.2° | 172.0° |
| C52 | C54 | N58 | C59 | 139.6° | 150.0° |
| C52 | C54 | N58 | HN8 | 40.4° | 30.0° |
| C55 | C54 | N58 | H54 | 121.2° | 120.0° |
| C54 | C55 | C56 | C57 | 133.5° | 120.0° |
| C54 | C55 | C56 | H55 | 114.2° | 120.0° |
| C54 | C55 | C57 | H55 | 112.4° | 120.0° |
| C54 | C55 | C56 | H561 | 180.0° | 180.0° |
| C54 | C55 | C56 | H562 | 54.8° | 60.0° |
| C54 | C55 | C56 | H563 | 54.8° | 60.0° |
| C54 | C55 | C57 | H571 | 180.0° | 58.2° |
| C54 | C55 | C57 | H572 | 54.8° | 61.8° |
| C54 | C55 | C57 | H573 | 54.8° | 178.2° |
| C55 | C54 | N58 | C59 | 103.6° | 90.0° |
| C55 | C54 | N58 | HN8 | 76.4° | 89.9° |
| N58 | C54 | C55 | C56 | 167.4° | 68.0° |
| N58 | C54 | C55 | C57 | 62.1° | 172.0° |
| N58 | C54 | C55 | H55 | 48.8° | 52.0° |
| C54 | N58 | C59 | HN8 | 180.0° | 180.0° |
| C54 | N58 | C59 | O60 | 0.8° | 0.0° |
| C54 | N58 | C59 | C61 | 179.9° | 180.0° |
| H54 | C54 | C55 | C56 | 70.6° | 172.0° |
| H54 | C54 | C55 | C57 | 59.9° | 52.0° |
| H54 | C54 | C55 | H55 | 170.8° | 68.0° |
| H54 | C54 | N58 | C59 | 17.7° | 29.9° |
| H54 | C54 | N58 | HN8 | 162.4° | 150.1° |
| C56 | C55 | C57 | H55 | 118.1° | 120.0° |
| C55 | C56 | H561 | H562 | 125.3° | 120.0° |
| C55 | C56 | H561 | H563 | 125.3° | 120.0° |
| C55 | C56 | H562 | H563 | 117.9° | 120.0° |
| C56 | C55 | C57 | H571 | 50.5° | 61.9° |
| C56 | C55 | C57 | H572 | 74.7° | 178.2° |
| C56 | C55 | C57 | H573 | 175.7° | 58.1° |
| C57 | C55 | C56 | H561 | 46.5° | 60.0° |
| C57 | C55 | C56 | H562 | 171.7° | 179.9° |
| C57 | C55 | C56 | H563 | 78.7° | 60.0° |
| C55 | C57 | H571 | H572 | 125.2° | 119.9° |
| C55 | C57 | H571 | H573 | 125.3° | 120.0° |
| C55 | C57 | H572 | H573 | 114.9° | 120.0° |
| H55 | C55 | C56 | H561 | 65.8° | 60.0° |
| H55 | C55 | C56 | H562 | 59.4° | 60.0° |
| H55 | C55 | C56 | H563 | 169.0° | 180.0° |
| H55 | C55 | C57 | H571 | 67.6° | 178.2° |
| H55 | C55 | C57 | H572 | 167.2° | 58.2° |
| H55 | C55 | C57 | H573 | 57.6° | 61.8° |
| H561 | C56 | H562 | H563 | 117.8° | 120.0° |
| H571 | C57 | H572 | H573 | 114.9° | 120.1° |
| N58 | C59 | O60 | C61 | 179.0° | 180.0° |
| N58 | C59 | C61 | C62 | 101.8° | 180.0° |
| N58 | C59 | C61 | C73 | 143.9° | 60.0° |
| N58 | C59 | C61 | H61 | 24.4° | 60.0° |
| HN8 | N58 | C59 | O60 | 179.2° | 179.9° |
| HN8 | N58 | C59 | C61 | 0.1° | 0.0° |
| O60 | C59 | C61 | C62 | 77.3° | 0.0° |
| O60 | C59 | C61 | C73 | 37.0° | 119.9° |
| O60 | C59 | C61 | H61 | 156.5° | 120.0° |
| C59 | C61 | C62 | C73 | 122.3° | 120.0° |
| C59 | C61 | C62 | H61 | 118.8° | 120.0° |
| C59 | C61 | C73 | H61 | 119.4° | 120.0° |
| C59 | C61 | C62 | C63 | 167.5° | 112.0° |
| C59 | C61 | C62 | H621 | 67.2° | 128.1° |
| C59 | C61 | C62 | H622 | 42.3° | 8.0° |
| C59 | C61 | C73 | S74 | 74.7° | 173.2° |
| C59 | C61 | C73 | H731 | 50.5° | 53.2° |
| C59 | C61 | C73 | H732 | 160.1° | 66.8° |
| C62 | C61 | C73 | H61 | 126.2° | 120.0° |
| C61 | C62 | C63 | H621 | 125.2° | 120.0° |
| C61 | C62 | C63 | H622 | 125.2° | 120.0° |
| C61 | C62 | H621 | H622 | 117.6° | 120.0° |
| C61 | C62 | C63 | C64 | 131.7° | 89.5° |
| C61 | C62 | C63 | C72 | 48.4° | 90.8° |
| C62 | C61 | C73 | S74 | 170.9° | 66.9° |
| C62 | C61 | C73 | H731 | 63.9° | 173.2° |
| C62 | C61 | C73 | H732 | 45.6° | 53.2° |
| C73 | C61 | C62 | C63 | 70.1° | 128.0° |
| C73 | C61 | C62 | H621 | 55.1° | 8.1° |
| C73 | C61 | C62 | H622 | 164.6° | 112.0° |
| C61 | C73 | S74 | H731 | 125.2° | 120.0° |
| C61 | C73 | S74 | H732 | 125.3° | 120.0° |
| C61 | C73 | H731 | H732 | 118.0° | 120.0° |
| C61 | C73 | S74 | O75 | 37.1° | 72.1° |
| C61 | C73 | S74 | O76 | 84.8° | 60.0° |
| C61 | C73 | S74 | C77 | 151.8° | 174.0° |
| H61 | C61 | C62 | C63 | 48.7° | 8.0° |
| H61 | C61 | C62 | H621 | 174.0° | 111.9° |
| H61 | C61 | C62 | H622 | 76.5° | 128.0° |
| H61 | C61 | C73 | S74 | 44.7° | 53.1° |
| H61 | C61 | C73 | H731 | 169.9° | 66.8° |
| H61 | C61 | C73 | H732 | 80.5° | 173.2° |
| C63 | C62 | H621 | H622 | 117.6° | 120.0° |
| C62 | C63 | C64 | C72 | 179.9° | 179.7° |
| C62 | C63 | C64 | C65 | 179.8° | 180.0° |
| C62 | C63 | C64 | H64 | 0.2° | 0.0° |
| C62 | C63 | C72 | C67 | 179.9° | 179.8° |
| C62 | C63 | C72 | C71 | 0.0° | 0.6° |
| H621 | C62 | C63 | C64 | 6.5° | 30.6° |
| H621 | C62 | C63 | C72 | 173.6° | 149.2° |
| H622 | C62 | C63 | C64 | 103.1° | 150.6° |
| H622 | C62 | C63 | C72 | 76.8° | 29.2° |
| C63 | C64 | C65 | H64 | 180.0° | 180.0° |
| C63 | C64 | C65 | C66 | 0.1° | 0.1° |
| C63 | C64 | C65 | H65 | 179.9° | 180.0° |
| C64 | C63 | C72 | C67 | 0.0° | 0.5° |
| C64 | C63 | C72 | C71 | 179.9° | 179.7° |
| C72 | C63 | C64 | C65 | 0.1° | 0.2° |
| C72 | C63 | C64 | H64 | 179.9° | 179.8° |
| C63 | C72 | C67 | C66 | 0.1° | 0.4° |
| C63 | C72 | C67 | C68 | 179.9° | 179.7° |
| C63 | C72 | C67 | C71 | 179.9° | 179.2° |
| C63 | C72 | C71 | C70 | 180.0° | 179.7° |
| C63 | C72 | C71 | H71 | 0.1° | 0.5° |
| C64 | C65 | C66 | H65 | 180.0° | 179.9° |
| C64 | C65 | C66 | C67 | 0.1° | 0.1° |
| C64 | C65 | C66 | H66 | 179.9° | 180.0° |
| H64 | C64 | C65 | C66 | 179.8° | 179.9° |
| H64 | C64 | C65 | H65 | 0.1° | 0.0° |
| C65 | C66 | C67 | H66 | 180.0° | 179.9° |
| C65 | C66 | C67 | C68 | 179.9° | 180.0° |
| C65 | C66 | C67 | C72 | 0.1° | 0.1° |
| H65 | C65 | C66 | C67 | 180.0° | 180.0° |
| H65 | C65 | C66 | H66 | 0.0° | 0.1° |
| C66 | C67 | C68 | C72 | 179.8° | 179.9° |
| C66 | C67 | C68 | C69 | 179.9° | 179.9° |
| C66 | C67 | C68 | H68 | 0.1° | 0.1° |
| C66 | C67 | C72 | C71 | 179.8° | 179.6° |
| H66 | C66 | C67 | C68 | 0.2° | 0.1° |
| H66 | C66 | C67 | C72 | 179.9° | 179.7° |
| C67 | C68 | C69 | H68 | 180.0° | 179.9° |
| C67 | C68 | C69 | C70 | 0.2° | 0.1° |
| C67 | C68 | C69 | H69 | 179.8° | 180.0° |
| C68 | C67 | C72 | C71 | 0.0° | 0.5° |
| C72 | C67 | C68 | C69 | 0.1° | 0.2° |
| C72 | C67 | C68 | H68 | 179.9° | 179.8° |
| C67 | C72 | C71 | C70 | 0.1° | 0.5° |
| C67 | C72 | C71 | H71 | 180.0° | 179.8° |
| C68 | C69 | C70 | H69 | 180.0° | 180.0° |
| C68 | C69 | C70 | C71 | 0.1° | 0.0° |
| C68 | C69 | C70 | H70 | 179.9° | 180.0° |
| H68 | C68 | C69 | C70 | 179.9° | 180.0° |
| H68 | C68 | C69 | H69 | 0.2° | 0.0° |
| C69 | C70 | C71 | H70 | 180.0° | 180.0° |
| C69 | C70 | C71 | C72 | 0.0° | 0.3° |
| C69 | C70 | C71 | H71 | 179.9° | 180.0° |
| H69 | C69 | C70 | C71 | 179.8° | 180.0° |
| H69 | C69 | C70 | H70 | 0.2° | 0.0° |
| C70 | C71 | C72 | H71 | 180.0° | 179.7° |
| H70 | C70 | C71 | C72 | 180.0° | 179.7° |
| H70 | C70 | C71 | H71 | 0.0° | 0.0° |
| S74 | C73 | H731 | H732 | 117.9° | 120.1° |
| C73 | S74 | O75 | O76 | 132.3° | 126.2° |
| C73 | S74 | O75 | C77 | 111.8° | 107.5° |
| C73 | S74 | O76 | C77 | 119.3° | 107.5° |
| C73 | S74 | C77 | C78 | 34.5° | 180.0° |
| C73 | S74 | C77 | C79 | 74.5° | 60.0° |
| C73 | S74 | C77 | C80 | 176.7° | 60.0° |
| H731 | C73 | S74 | O75 | 162.4° | 167.9° |
| H731 | C73 | S74 | O76 | 40.4° | 60.0° |
| H731 | C73 | S74 | C77 | 83.0° | 54.0° |
| H732 | C73 | S74 | O75 | 88.1° | 47.9° |
| H732 | C73 | S74 | O76 | 149.9° | 180.0° |
| H732 | C73 | S74 | C77 | 26.5° | 66.0° |
| O75 | S74 | O76 | C77 | 112.9° | 126.3° |
| O75 | S74 | C77 | C78 | 154.5° | 66.1° |
| O75 | S74 | C77 | C79 | 45.6° | 173.9° |
| O75 | S74 | C77 | C80 | 56.6° | 53.9° |
| O76 | S74 | C77 | C78 | 95.9° | 66.1° |
| O76 | S74 | C77 | C79 | 155.1° | 53.9° |
| O76 | S74 | C77 | C80 | 52.9° | 173.9° |
| S74 | C77 | C78 | C79 | 126.5° | 120.0° |
| S74 | C77 | C78 | C80 | 147.5° | 120.0° |
| S74 | C77 | C79 | C80 | 117.6° | 120.0° |
| S74 | C77 | C78 | H781 | 180.0° | 180.0° |
| S74 | C77 | C78 | H782 | 54.8° | 60.0° |
| S74 | C77 | C78 | H783 | 54.7° | 60.0° |
| S74 | C77 | C79 | H791 | 179.9° | 60.0° |
| S74 | C77 | C79 | H792 | 54.7° | 60.0° |
| S74 | C77 | C79 | H793 | 54.8° | 179.9° |
| S74 | C77 | C80 | H801 | 180.0° | 60.0° |
| S74 | C77 | C80 | H802 | 54.7° | 180.0° |
| S74 | C77 | C80 | H803 | 54.7° | 60.0° |
| C78 | C77 | C79 | C80 | 119.4° | 120.0° |
| C77 | C78 | H781 | H782 | 125.2° | 120.0° |
| C77 | C78 | H781 | H783 | 125.3° | 120.0° |
| C77 | C78 | H782 | H783 | 115.0° | 120.0° |
| C78 | C77 | C79 | H791 | 57.1° | 59.9° |
| C78 | C77 | C79 | H792 | 68.2° | 180.0° |
| C78 | C77 | C79 | H793 | 177.7° | 60.0° |
| C78 | C77 | C80 | H801 | 31.8° | 60.0° |
| C78 | C77 | C80 | H802 | 157.1° | 60.0° |
| C78 | C77 | C80 | H803 | 93.5° | 180.0° |
| C79 | C77 | C78 | H781 | 53.5° | 60.1° |
| C79 | C77 | C78 | H782 | 178.7° | 180.0° |
| C79 | C77 | C78 | H783 | 71.8° | 60.0° |
| C77 | C79 | H791 | H792 | 125.3° | 120.1° |
| C77 | C79 | H791 | H793 | 125.2° | 119.9° |
| C77 | C79 | H792 | H793 | 113.4° | 120.0° |
| C79 | C77 | C80 | H801 | 56.3° | 180.0° |
| C79 | C77 | C80 | H802 | 69.0° | 60.0° |
| C79 | C77 | C80 | H803 | 178.4° | 60.0° |
| C80 | C77 | C78 | H781 | 32.5° | 60.0° |
| C80 | C77 | C78 | H782 | 92.8° | 60.0° |
| C80 | C77 | C78 | H783 | 157.8° | 180.0° |
| C80 | C77 | C79 | H791 | 62.3° | 180.0° |
| C80 | C77 | C79 | H792 | 172.4° | 60.0° |
| C80 | C77 | C79 | H793 | 62.8° | 60.1° |
| C77 | C80 | H801 | H802 | 125.3° | 120.1° |
| C77 | C80 | H801 | H803 | 125.3° | 120.0° |
| C77 | C80 | H802 | H803 | 116.0° | 120.0° |
| H781 | C78 | H782 | H783 | 115.2° | 120.0° |
| H791 | C79 | H792 | H793 | 113.3° | 120.0° |
| H801 | C80 | H802 | H803 | 115.9° | 119.9° |
