5I7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C64 | C65 | doub | 1.38Å | 1.39Å | Aromatic |
| C64 | C63 | sing | 1.38Å | 1.40Å | Aromatic |
| C65 | C66 | sing | 1.38Å | 1.40Å | Aromatic |
| C63 | C62 | doub | 1.38Å | 1.40Å | Aromatic |
| C66 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | C61 | sing | 1.38Å | 1.41Å | Aromatic |
| C61 | C60 | sing | 1.51Å | 1.55Å | |
| C60 | O59 | sing | 1.45Å | 1.45Å | |
| O59 | C58 | sing | 1.35Å | 1.40Å | |
| C42 | C41 | sing | 1.53Å | 1.56Å | |
| C42 | C43 | sing | 1.53Å | 1.56Å | |
| C41 | C40 | sing | 1.53Å | 1.56Å | |
| C40 | C39 | sing | 1.53Å | 1.55Å | |
| C78 | C77 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| C44 | C45 | sing | 1.53Å | 1.57Å | |
| C58 | N57 | sing | 1.35Å | 1.41Å | |
| C58 | O67 | doub | 1.22Å | 1.22Å | |
| O79 | C68 | doub | 1.21Å | 1.22Å | |
| N57 | C56 | sing | 1.47Å | 1.49Å | |
| C39 | C38 | sing | 1.53Å | 1.56Å | |
| C55 | C56 | sing | 1.53Å | 1.59Å | |
| C55 | C54 | sing | 1.53Å | 1.57Å | |
| C77 | N72 | sing | 1.47Å | 1.55Å | |
| C45 | C46 | sing | 1.53Å | 1.56Å | |
| C38 | C37 | sing | 1.53Å | 1.59Å | |
| C56 | C68 | sing | 1.51Å | 1.57Å | |
| C68 | N69 | sing | 1.35Å | 1.43Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | C48 | sing | 1.53Å | 1.56Å | |
| N51 | C37 | sing | 1.47Å | 1.48Å | |
| N51 | C52 | sing | 1.47Å | 1.50Å | |
| C73 | C74 | sing | 1.53Å | 1.52Å | |
| C73 | N72 | sing | 1.47Å | 1.55Å | |
| C54 | C53 | sing | 1.53Å | 1.55Å | |
| C53 | C52 | sing | 1.53Å | 1.56Å | |
| C46 | C47 | sing | 1.53Å | 1.57Å | |
| C37 | S34 | sing | 1.86Å | 1.88Å | |
| C37 | O36 | sing | 1.44Å | 1.40Å | |
| N72 | C71 | sing | 1.47Å | 1.56Å | |
| N72 | C75 | sing | 1.47Å | 1.55Å | |
| C48 | C47 | sing | 1.53Å | 1.56Å | |
| N69 | C70 | sing | 1.46Å | 1.46Å | |
| C70 | C71 | sing | 1.53Å | 1.58Å | |
| S34 | C33 | sing | 1.83Å | 1.84Å | |
| O36 | C35 | sing | 1.43Å | 1.42Å | |
| C75 | C76 | sing | 1.53Å | 1.53Å | |
| C35 | C33 | sing | 1.57Å | 1.55Å | |
| C35 | C02 | sing | 1.55Å | 1.56Å | |
| C33 | O32 | sing | 1.43Å | 1.39Å | |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| O32 | C03 | sing | 1.43Å | 1.41Å | |
| C02 | C03 | sing | 1.54Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C04 | O05 | sing | 1.43Å | 1.36Å | |
| O05 | P06 | sing | 1.61Å | 1.73Å | |
| O30 | P06 | doub | 1.48Å | 1.49Å | |
| P06 | O07 | sing | 1.61Å | 1.63Å | |
| P06 | O31 | sing | 1.61Å | 1.48Å | |
| O07 | P08 | sing | 1.61Å | 1.65Å | |
| O29 | P08 | doub | 1.48Å | 1.42Å | |
| O09 | P08 | sing | 1.61Å | 1.51Å | |
| P08 | O10 | sing | 1.61Å | 1.77Å | |
| O10 | C11 | sing | 1.43Å | 1.37Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | O28 | sing | 1.44Å | 1.41Å | |
| C13 | C15 | sing | 1.55Å | 1.56Å | |
| C13 | O14 | sing | 1.43Å | 1.41Å | |
| O28 | C17 | sing | 1.44Å | 1.39Å | |
| C27 | N26 | doub | 1.30Å | 1.35Å | Aromatic |
| C27 | N18 | sing | 1.36Å | 1.41Å | Aromatic |
| N26 | C25 | sing | 1.35Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.54Å | 1.59Å | |
| C15 | O16 | sing | 1.43Å | 1.39Å | |
| C17 | N18 | sing | 1.47Å | 1.50Å | |
| N18 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| C25 | C19 | doub | 1.41Å | 1.46Å | Aromatic |
| C25 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| N24 | C23 | sing | 1.38Å | 1.40Å | |
| C19 | N20 | sing | 1.33Å | 1.35Å | Aromatic |
| C23 | N22 | doub | 1.33Å | 1.37Å | Aromatic |
| N20 | C21 | doub | 1.32Å | 1.36Å | Aromatic |
| N22 | C21 | sing | 1.32Å | 1.36Å | Aromatic |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C41 | H21 | sing | 1.09Å | 1.10Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C44 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C45 | H29 | sing | 1.09Å | 1.10Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C47 | H34 | sing | 1.09Å | 1.10Å | |
| C48 | H35 | sing | 1.09Å | 1.10Å | |
| C48 | H36 | sing | 1.09Å | 1.10Å | |
| C49 | H37 | sing | 1.09Å | 1.10Å | |
| C49 | H38 | sing | 1.09Å | 1.10Å | |
| C50 | H39 | sing | 1.09Å | 1.10Å | |
| C50 | H40 | sing | 1.09Å | 1.10Å | |
| C50 | H41 | sing | 1.09Å | 1.10Å | |
| C52 | H42 | sing | 1.09Å | 1.10Å | |
| C52 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H44 | sing | 1.09Å | 1.10Å | |
| C53 | H45 | sing | 1.09Å | 1.10Å | |
| C54 | H46 | sing | 1.09Å | 1.10Å | |
| C54 | H47 | sing | 1.09Å | 1.10Å | |
| C55 | H48 | sing | 1.09Å | 1.10Å | |
| C55 | H49 | sing | 1.09Å | 1.10Å | |
| C56 | H50 | sing | 1.09Å | 1.10Å | |
| C60 | H51 | sing | 1.09Å | 1.10Å | |
| C60 | H52 | sing | 1.09Å | 1.10Å | |
| C62 | H53 | sing | 1.08Å | 1.08Å | |
| C63 | H54 | sing | 1.08Å | 1.08Å | |
| C64 | H55 | sing | 1.08Å | 1.08Å | |
| C65 | H56 | sing | 1.08Å | 1.08Å | |
| C66 | H57 | sing | 1.08Å | 1.08Å | |
| C70 | H58 | sing | 1.09Å | 1.10Å | |
| C70 | H59 | sing | 1.09Å | 1.10Å | |
| C71 | H60 | sing | 1.09Å | 1.10Å | |
| C71 | H61 | sing | 1.09Å | 1.10Å | |
| C73 | H62 | sing | 1.09Å | 1.10Å | |
| C73 | H63 | sing | 1.09Å | 1.10Å | |
| C74 | H64 | sing | 1.09Å | 1.10Å | |
| C74 | H65 | sing | 1.09Å | 1.10Å | |
| C74 | H66 | sing | 1.09Å | 1.10Å | |
| C75 | H67 | sing | 1.09Å | 1.10Å | |
| C75 | H68 | sing | 1.09Å | 1.10Å | |
| C76 | H69 | sing | 1.09Å | 1.10Å | |
| C76 | H70 | sing | 1.09Å | 1.10Å | |
| C76 | H71 | sing | 1.09Å | 1.10Å | |
| C77 | H72 | sing | 1.09Å | 1.10Å | |
| C77 | H73 | sing | 1.09Å | 1.10Å | |
| C78 | H74 | sing | 1.09Å | 1.10Å | |
| C78 | H75 | sing | 1.09Å | 1.10Å | |
| C78 | H76 | sing | 1.09Å | 1.10Å | |
| N24 | H77 | sing | 0.97Å | 1.00Å | |
| N24 | H78 | sing | 0.97Å | 1.00Å | |
| N51 | H79 | sing | 1.01Å | 1.00Å | |
| N57 | H81 | sing | 0.97Å | 1.00Å | |
| N69 | H82 | sing | 0.97Å | 1.00Å | |
| O01 | H83 | sing | 0.97Å | 0.95Å | |
| O09 | H84 | sing | 0.97Å | 0.95Å | |
| O14 | H85 | sing | 0.97Å | 0.95Å | |
| O16 | H86 | sing | 0.97Å | 0.95Å | |
| O31 | H87 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C65 | C64 | C63 | 117.2° | 120.0° |
| C64 | C65 | C66 | 121.6° | 120.0° |
| C65 | C64 | H55 | 121.4° | 120.0° |
| C64 | C65 | H56 | 119.2° | 120.0° |
| C64 | C63 | C62 | 120.8° | 120.0° |
| C64 | C63 | H54 | 119.6° | 119.9° |
| C63 | C64 | H55 | 121.4° | 120.0° |
| C65 | C66 | C61 | 122.5° | 120.0° |
| C66 | C65 | H56 | 119.2° | 120.0° |
| C65 | C66 | H57 | 118.8° | 120.0° |
| C63 | C62 | C61 | 122.7° | 120.0° |
| C63 | C62 | H53 | 118.7° | 120.0° |
| C62 | C63 | H54 | 119.6° | 120.0° |
| C66 | C61 | C62 | 115.2° | 120.0° |
| C66 | C61 | C60 | 123.4° | 120.0° |
| C61 | C66 | H57 | 118.7° | 120.0° |
| C62 | C61 | C60 | 121.4° | 120.0° |
| C61 | C62 | H53 | 118.7° | 120.0° |
| C61 | C60 | O59 | 115.5° | 109.5° |
| C61 | C60 | H51 | 107.9° | 109.5° |
| C61 | C60 | H52 | 107.9° | 109.4° |
| C60 | O59 | C58 | 121.5° | 117.0° |
| O59 | C60 | H51 | 108.0° | 109.5° |
| O59 | C60 | H52 | 108.0° | 109.5° |
| O59 | C58 | N57 | 117.5° | 120.0° |
| O59 | C58 | O67 | 120.3° | 120.0° |
| C41 | C42 | C43 | 114.9° | 109.5° |
| C42 | C41 | C40 | 118.6° | 109.5° |
| C42 | C41 | H21 | 107.2° | 109.5° |
| C42 | C41 | H22 | 107.1° | 109.4° |
| C41 | C42 | H23 | 108.1° | 109.5° |
| C41 | C42 | H24 | 108.1° | 109.5° |
| C42 | C43 | C44 | 118.0° | 109.5° |
| C43 | C42 | H23 | 108.1° | 109.4° |
| C43 | C42 | H24 | 108.1° | 109.5° |
| C42 | C43 | H25 | 107.3° | 109.4° |
| C42 | C43 | H26 | 107.3° | 109.5° |
| C41 | C40 | C39 | 116.8° | 109.5° |
| C41 | C40 | H19 | 107.6° | 109.5° |
| C41 | C40 | H20 | 107.6° | 109.4° |
| C40 | C41 | H21 | 107.2° | 109.5° |
| C40 | C41 | H22 | 107.2° | 109.5° |
| C40 | C39 | C38 | 120.0° | 109.4° |
| C40 | C39 | H17 | 106.8° | 109.5° |
| C40 | C39 | H18 | 106.8° | 109.5° |
| C39 | C40 | H19 | 107.6° | 109.5° |
| C39 | C40 | H20 | 107.6° | 109.5° |
| C78 | C77 | N72 | 114.8° | 109.5° |
| C78 | C77 | H72 | 108.1° | 109.4° |
| C78 | C77 | H73 | 108.1° | 109.4° |
| C77 | C78 | H74 | 109.5° | 109.5° |
| C77 | C78 | H75 | 109.5° | 109.5° |
| C77 | C78 | H76 | 109.5° | 109.5° |
| C43 | C44 | C45 | 115.3° | 109.4° |
| C44 | C43 | H25 | 107.3° | 109.5° |
| C44 | C43 | H26 | 107.3° | 109.6° |
| C43 | C44 | H27 | 108.0° | 109.5° |
| C43 | C44 | H28 | 108.0° | 109.5° |
| C44 | C45 | C46 | 115.6° | 109.4° |
| C45 | C44 | H27 | 108.0° | 109.5° |
| C45 | C44 | H28 | 108.0° | 109.5° |
| C44 | C45 | H29 | 107.9° | 109.5° |
| C44 | C45 | H30 | 107.9° | 109.5° |
| N57 | C58 | O67 | 122.3° | 120.0° |
| C58 | N57 | C56 | 124.3° | 120.0° |
| C58 | N57 | H81 | 117.8° | 120.0° |
| O79 | C68 | C56 | 120.7° | 120.0° |
| O79 | C68 | N69 | 118.9° | 120.0° |
| N57 | C56 | C55 | 113.1° | 109.5° |
| N57 | C56 | C68 | 108.9° | 109.4° |
| N57 | C56 | H50 | 109.8° | 109.4° |
| C56 | N57 | H81 | 117.9° | 120.0° |
| C39 | C38 | C37 | 112.8° | 109.4° |
| C39 | C38 | H15 | 108.6° | 109.5° |
| C39 | C38 | H16 | 108.6° | 109.5° |
| C38 | C39 | H17 | 106.8° | 109.5° |
| C38 | C39 | H18 | 106.8° | 109.5° |
| C56 | C55 | C54 | 117.1° | 109.5° |
| C55 | C56 | C68 | 107.8° | 109.5° |
| C56 | C55 | H48 | 107.6° | 109.5° |
| C56 | C55 | H49 | 107.6° | 109.5° |
| C55 | C56 | H50 | 108.4° | 109.5° |
| C55 | C54 | C53 | 115.3° | 109.5° |
| C55 | C54 | H46 | 108.0° | 109.5° |
| C55 | C54 | H47 | 108.0° | 109.4° |
| C54 | C55 | H48 | 107.5° | 109.4° |
| C54 | C55 | H49 | 107.5° | 109.5° |
| C77 | N72 | C73 | 105.7° | 109.5° |
| C77 | N72 | C71 | 110.3° | 109.5° |
| C77 | N72 | C75 | 110.3° | 109.5° |
| N72 | C77 | H72 | 108.1° | 109.5° |
| N72 | C77 | H73 | 108.1° | 109.5° |
| C45 | C46 | C47 | 117.4° | 109.5° |
| C46 | C45 | H29 | 107.9° | 109.4° |
| C46 | C45 | H30 | 107.9° | 109.5° |
| C45 | C46 | H31 | 107.4° | 109.5° |
| C45 | C46 | H32 | 107.4° | 109.5° |
| C38 | C37 | N51 | 112.9° | 110.5° |
| C38 | C37 | S34 | 110.1° | 110.4° |
| C38 | C37 | O36 | 109.9° | 110.3° |
| C37 | C38 | H15 | 108.6° | 109.4° |
| C37 | C38 | H16 | 108.6° | 109.5° |
| C56 | C68 | N69 | 120.4° | 120.0° |
| C68 | C56 | H50 | 108.7° | 109.5° |
| C68 | N69 | C70 | 122.0° | 120.0° |
| C68 | N69 | H82 | 119.0° | 120.0° |
| C50 | C49 | C48 | 116.1° | 109.5° |
| C50 | C49 | H37 | 107.8° | 109.4° |
| C50 | C49 | H38 | 107.8° | 109.5° |
| C49 | C50 | H39 | 109.5° | 109.4° |
| C49 | C50 | H40 | 109.5° | 109.5° |
| C49 | C50 | H41 | 109.5° | 109.5° |
| C49 | C48 | C47 | 117.8° | 109.5° |
| C49 | C48 | H35 | 107.4° | 109.4° |
| C49 | C48 | H36 | 107.3° | 109.5° |
| C48 | C49 | H37 | 107.8° | 109.4° |
| C48 | C49 | H38 | 107.8° | 109.5° |
| C37 | N51 | C52 | 115.0° | 111.0° |
| N51 | C37 | S34 | 107.1° | 110.4° |
| N51 | C37 | O36 | 109.1° | 110.4° |
| C37 | N51 | H79 | 108.1° | 111.0° |
| N51 | C52 | C53 | 113.3° | 109.4° |
| N51 | C52 | H42 | 108.5° | 109.5° |
| N51 | C52 | H43 | 108.5° | 109.4° |
| C52 | N51 | H79 | 108.1° | 111.0° |
| C74 | C73 | N72 | 114.9° | 109.5° |
| C74 | C73 | H62 | 108.1° | 109.5° |
| C74 | C73 | H63 | 108.1° | 109.5° |
| C73 | C74 | H64 | 109.5° | 109.5° |
| C73 | C74 | H65 | 109.5° | 109.5° |
| C73 | C74 | H66 | 109.5° | 109.5° |
| C73 | N72 | C71 | 109.8° | 109.5° |
| C73 | N72 | C75 | 110.5° | 109.5° |
| N72 | C73 | H62 | 108.1° | 109.5° |
| N72 | C73 | H63 | 108.1° | 109.5° |
| C54 | C53 | C52 | 114.6° | 109.5° |
| C54 | C53 | H44 | 108.2° | 109.4° |
| C54 | C53 | H45 | 108.2° | 109.4° |
| C53 | C54 | H46 | 108.0° | 109.5° |
| C53 | C54 | H47 | 108.0° | 109.5° |
| C53 | C52 | H42 | 108.5° | 109.5° |
| C53 | C52 | H43 | 108.5° | 109.5° |
| C52 | C53 | H44 | 108.2° | 109.5° |
| C52 | C53 | H45 | 108.1° | 109.5° |
| C46 | C47 | C48 | 115.3° | 109.4° |
| C47 | C46 | H31 | 107.4° | 109.5° |
| C47 | C46 | H32 | 107.5° | 109.5° |
| C46 | C47 | H33 | 108.0° | 109.5° |
| C46 | C47 | H34 | 108.0° | 109.5° |
| S34 | C37 | O36 | 107.4° | 104.6° |
| C37 | S34 | C33 | 90.3° | 95.1° |
| C37 | O36 | C35 | 113.1° | 113.6° |
| C71 | N72 | C75 | 110.1° | 109.5° |
| N72 | C71 | C70 | 116.7° | 109.5° |
| N72 | C71 | H60 | 107.6° | 109.5° |
| N72 | C71 | H61 | 107.6° | 109.5° |
| N72 | C75 | C76 | 114.9° | 109.5° |
| N72 | C75 | H67 | 108.1° | 109.5° |
| N72 | C75 | H68 | 108.1° | 109.4° |
| C48 | C47 | H33 | 108.0° | 109.5° |
| C48 | C47 | H34 | 108.0° | 109.5° |
| C47 | C48 | H35 | 107.4° | 109.5° |
| C47 | C48 | H36 | 107.4° | 109.5° |
| N69 | C70 | C71 | 106.3° | 109.5° |
| N69 | C70 | H58 | 110.3° | 109.5° |
| N69 | C70 | H59 | 110.3° | 109.5° |
| C70 | N69 | H82 | 119.0° | 120.0° |
| C71 | C70 | H58 | 110.2° | 109.5° |
| C71 | C70 | H59 | 110.2° | 109.4° |
| C70 | C71 | H60 | 107.6° | 109.5° |
| C70 | C71 | H61 | 107.6° | 109.4° |
| S34 | C33 | C35 | 107.6° | 101.6° |
| S34 | C33 | O32 | 111.4° | 109.6° |
| S34 | C33 | H13 | 107.1° | 113.2° |
| O36 | C35 | C33 | 108.6° | 108.2° |
| O36 | C35 | C02 | 117.4° | 108.0° |
| O36 | C35 | H14 | 111.0° | 113.3° |
| C76 | C75 | H67 | 108.1° | 109.5° |
| C76 | C75 | H68 | 108.1° | 109.5° |
| C75 | C76 | H69 | 109.5° | 109.5° |
| C75 | C76 | H70 | 109.4° | 109.5° |
| C75 | C76 | H71 | 109.5° | 109.5° |
| C33 | C35 | C02 | 100.9° | 100.4° |
| C35 | C33 | O32 | 107.3° | 105.2° |
| C35 | C33 | H13 | 110.5° | 113.4° |
| C33 | C35 | H14 | 109.2° | 113.0° |
| C35 | C02 | O01 | 112.0° | 110.9° |
| C35 | C02 | C03 | 96.4° | 102.5° |
| C35 | C02 | H1 | 111.1° | 110.8° |
| C02 | C35 | H14 | 109.1° | 113.0° |
| C33 | O32 | C03 | 108.8° | 110.2° |
| O32 | C33 | H13 | 112.9° | 113.1° |
| O01 | C02 | C03 | 111.0° | 110.8° |
| O01 | C02 | H1 | 113.7° | 110.7° |
| C02 | O01 | H83 | 109.5° | 114.0° |
| O32 | C03 | C02 | 106.2° | 107.6° |
| O32 | C03 | C04 | 109.7° | 109.8° |
| O32 | C03 | H2 | 111.4° | 109.9° |
| C02 | C03 | C04 | 111.0° | 109.8° |
| C03 | C02 | H1 | 111.3° | 110.8° |
| C02 | C03 | H2 | 109.4° | 109.8° |
| C03 | C04 | O05 | 110.1° | 109.5° |
| C04 | C03 | H2 | 109.2° | 109.8° |
| C03 | C04 | H3 | 109.3° | 109.5° |
| C03 | C04 | H4 | 109.3° | 109.5° |
| C04 | O05 | P06 | 128.5° | 123.0° |
| O05 | C04 | H3 | 109.3° | 109.5° |
| O05 | C04 | H4 | 109.3° | 109.4° |
| O05 | P06 | O30 | 112.3° | 109.5° |
| O05 | P06 | O07 | 104.9° | 109.5° |
| O05 | P06 | O31 | 102.5° | 109.4° |
| O30 | P06 | O07 | 109.4° | 109.5° |
| O30 | P06 | O31 | 114.5° | 109.5° |
| O07 | P06 | O31 | 112.8° | 109.5° |
| P06 | O07 | P08 | 140.5° | 134.0° |
| P06 | O31 | H87 | 109.5° | 114.0° |
| O07 | P08 | O29 | 107.1° | 109.4° |
| O07 | P08 | O09 | 118.0° | 109.5° |
| O07 | P08 | O10 | 96.2° | 109.5° |
| O29 | P08 | O09 | 126.3° | 109.5° |
| O29 | P08 | O10 | 107.2° | 109.5° |
| O09 | P08 | O10 | 95.8° | 109.5° |
| P08 | O09 | H84 | 109.5° | 114.0° |
| P08 | O10 | C11 | 124.9° | 123.0° |
| O10 | C11 | C12 | 110.7° | 109.5° |
| O10 | C11 | H5 | 109.1° | 109.5° |
| O10 | C11 | H6 | 109.2° | 109.4° |
| C11 | C12 | C13 | 109.6° | 110.3° |
| C11 | C12 | O28 | 113.0° | 110.4° |
| C12 | C11 | H5 | 109.2° | 109.5° |
| C12 | C11 | H6 | 109.2° | 109.5° |
| C11 | C12 | H7 | 107.6° | 110.4° |
| C13 | C12 | O28 | 109.2° | 104.8° |
| C12 | C13 | C15 | 99.1° | 104.1° |
| C12 | C13 | O14 | 111.1° | 110.5° |
| C13 | C12 | H7 | 107.8° | 110.4° |
| C12 | C13 | H8 | 111.2° | 110.6° |
| C12 | O28 | C17 | 112.3° | 105.3° |
| O28 | C12 | H7 | 109.5° | 110.5° |
| C15 | C13 | O14 | 110.5° | 110.5° |
| C13 | C15 | C17 | 101.9° | 104.1° |
| C13 | C15 | O16 | 111.1° | 110.6° |
| C15 | C13 | H8 | 110.9° | 110.5° |
| C13 | C15 | H9 | 111.4° | 110.5° |
| O14 | C13 | H8 | 113.2° | 110.6° |
| C13 | O14 | H85 | 109.5° | 114.0° |
| O28 | C17 | C15 | 102.1° | 104.8° |
| O28 | C17 | N18 | 103.7° | 110.3° |
| O28 | C17 | H10 | 111.3° | 110.5° |
| N26 | C27 | N18 | 114.7° | 109.9° |
| C27 | N26 | C25 | 104.9° | 109.5° |
| N26 | C27 | H12 | 122.7° | 125.1° |
| C27 | N18 | C17 | 123.0° | 126.3° |
| C27 | N18 | C19 | 104.6° | 107.5° |
| N18 | C27 | H12 | 122.7° | 125.0° |
| N26 | C25 | C19 | 108.8° | 107.1° |
| N26 | C25 | C23 | 131.8° | 134.8° |
| C17 | C15 | O16 | 106.7° | 110.5° |
| C15 | C17 | N18 | 121.2° | 110.4° |
| C17 | C15 | H9 | 110.9° | 110.5° |
| C15 | C17 | H10 | 108.5° | 110.4° |
| O16 | C15 | H9 | 114.0° | 110.6° |
| C15 | O16 | H86 | 109.5° | 114.0° |
| C17 | N18 | C19 | 132.3° | 126.2° |
| N18 | C17 | H10 | 109.7° | 110.3° |
| N18 | C19 | C25 | 107.0° | 106.0° |
| N18 | C19 | N20 | 129.7° | 135.0° |
| C19 | C25 | C23 | 119.5° | 118.2° |
| C25 | C19 | N20 | 123.3° | 119.0° |
| C25 | C23 | N24 | 127.1° | 120.7° |
| C25 | C23 | N22 | 117.1° | 118.5° |
| N24 | C23 | N22 | 115.8° | 120.8° |
| C23 | N24 | H77 | 109.5° | 120.0° |
| C23 | N24 | H78 | 109.5° | 120.1° |
| C19 | N20 | C21 | 111.1° | 120.7° |
| C23 | N22 | C21 | 117.6° | 121.2° |
| N20 | C21 | N22 | 131.4° | 122.5° |
| N20 | C21 | H11 | 114.3° | 118.7° |
| N22 | C21 | H11 | 114.3° | 118.8° |
| H3 | C04 | H4 | 109.4° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H15 | C38 | H16 | 109.5° | 109.5° |
| H17 | C39 | H18 | 109.4° | 109.5° |
| H19 | C40 | H20 | 109.5° | 109.5° |
| H21 | C41 | H22 | 109.5° | 109.5° |
| H23 | C42 | H24 | 109.5° | 109.5° |
| H25 | C43 | H26 | 109.5° | 109.4° |
| H27 | C44 | H28 | 109.5° | 109.5° |
| H29 | C45 | H30 | 109.5° | 109.5° |
| H31 | C46 | H32 | 109.5° | 109.4° |
| H33 | C47 | H34 | 109.5° | 109.5° |
| H35 | C48 | H36 | 109.5° | 109.5° |
| H37 | C49 | H38 | 109.5° | 109.5° |
| H39 | C50 | H40 | 109.5° | 109.5° |
| H39 | C50 | H41 | 109.4° | 109.5° |
| H40 | C50 | H41 | 109.5° | 109.5° |
| H42 | C52 | H43 | 109.4° | 109.5° |
| H44 | C53 | H45 | 109.5° | 109.5° |
| H46 | C54 | H47 | 109.5° | 109.5° |
| H48 | C55 | H49 | 109.5° | 109.5° |
| H51 | C60 | H52 | 109.5° | 109.5° |
| H58 | C70 | H59 | 109.5° | 109.5° |
| H60 | C71 | H61 | 109.5° | 109.5° |
| H62 | C73 | H63 | 109.5° | 109.4° |
| H64 | C74 | H65 | 109.5° | 109.5° |
| H64 | C74 | H66 | 109.5° | 109.4° |
| H65 | C74 | H66 | 109.5° | 109.5° |
| H67 | C75 | H68 | 109.5° | 109.5° |
| H69 | C76 | H70 | 109.5° | 109.5° |
| H69 | C76 | H71 | 109.4° | 109.4° |
| H70 | C76 | H71 | 109.5° | 109.4° |
| H72 | C77 | H73 | 109.5° | 109.5° |
| H74 | C78 | H75 | 109.5° | 109.5° |
| H74 | C78 | H76 | 109.5° | 109.5° |
| H75 | C78 | H76 | 109.5° | 109.4° |
| H77 | N24 | H78 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C65 | C64 | C63 | H55 | 180.0° | 179.7° |
| C64 | C65 | C66 | H56 | 180.0° | 179.7° |
| C65 | C64 | C63 | C62 | 0.2° | NaN° |
| C64 | C65 | C66 | C61 | 0.0° | 0.6° |
| C65 | C64 | C63 | H54 | 179.8° | 180.0° |
| C64 | C65 | C66 | H57 | 180.0° | 180.0° |
| C63 | C64 | C65 | C66 | 0.1° | 0.3° |
| C64 | C63 | C62 | H54 | 180.0° | 180.0° |
| C64 | C63 | C62 | C61 | 0.1° | 0.0° |
| C64 | C63 | C62 | H53 | 179.9° | 180.0° |
| C63 | C64 | C65 | H56 | 179.8° | 180.0° |
| C65 | C66 | C61 | H57 | 180.0° | 179.4° |
| C65 | C66 | C61 | C62 | 0.1° | 0.6° |
| C65 | C66 | C61 | C60 | 180.0° | 179.7° |
| C66 | C65 | C64 | H55 | 179.8° | 180.0° |
| C63 | C62 | C61 | C66 | 0.1° | 0.3° |
| C63 | C62 | C61 | H53 | 180.0° | 180.0° |
| C63 | C62 | C61 | C60 | 179.9° | 180.0° |
| C62 | C63 | C64 | H55 | 179.8° | 179.7° |
| C66 | C61 | C62 | C60 | 179.9° | 179.7° |
| C66 | C61 | C60 | O59 | 46.8° | 90.3° |
| C66 | C61 | C60 | H51 | 74.1° | 29.7° |
| C66 | C61 | C60 | H52 | 167.7° | 149.7° |
| C66 | C61 | C62 | H53 | 179.9° | 179.7° |
| C61 | C66 | C65 | H56 | 179.9° | 179.7° |
| C62 | C61 | C60 | O59 | 133.0° | 90.0° |
| C62 | C61 | C60 | H51 | 106.1° | 150.0° |
| C62 | C61 | C60 | H52 | 12.1° | 30.0° |
| C61 | C62 | C63 | H54 | 179.9° | 180.0° |
| C62 | C61 | C66 | H57 | 179.9° | 180.0° |
| C61 | C60 | O59 | H51 | 120.9° | 120.0° |
| C61 | C60 | O59 | H52 | 120.9° | 120.0° |
| C61 | C60 | O59 | C58 | 173.8° | 180.0° |
| C61 | C60 | H51 | H52 | 117.2° | 120.0° |
| C60 | C61 | C62 | H53 | 0.1° | 0.0° |
| C60 | C61 | C66 | H57 | 0.0° | 0.2° |
| C60 | O59 | C58 | N57 | 179.7° | 180.0° |
| C60 | O59 | C58 | O67 | 0.0° | 0.1° |
| O59 | C60 | H51 | H52 | 117.3° | 120.0° |
| O59 | C58 | N57 | O67 | 179.7° | 179.9° |
| O59 | C58 | N57 | C56 | 166.0° | 180.0° |
| C58 | O59 | C60 | H51 | 52.9° | 59.9° |
| C58 | O59 | C60 | H52 | 65.3° | 60.0° |
| O59 | C58 | N57 | H81 | 14.0° | 0.0° |
| C41 | C42 | C43 | H23 | 120.8° | 120.0° |
| C41 | C42 | C43 | H24 | 120.8° | 120.1° |
| C42 | C41 | C40 | H21 | 121.3° | 120.0° |
| C42 | C41 | C40 | H22 | 121.3° | 120.0° |
| C42 | C41 | C40 | C39 | 140.9° | 180.0° |
| C41 | C42 | C43 | C44 | 178.3° | 180.0° |
| C42 | C41 | C40 | H19 | 98.0° | 60.0° |
| C42 | C41 | C40 | H20 | 19.9° | 60.0° |
| C42 | C41 | H21 | H22 | 115.9° | 120.0° |
| C41 | C42 | H23 | H24 | 117.5° | 120.0° |
| C41 | C42 | C43 | H25 | 57.1° | 60.0° |
| C41 | C42 | C43 | H26 | 60.4° | 59.9° |
| C43 | C42 | C41 | C40 | 141.5° | 180.0° |
| C42 | C43 | C44 | H25 | 121.2° | 119.9° |
| C42 | C43 | C44 | H26 | 121.2° | 120.0° |
| C42 | C43 | C44 | C45 | 150.5° | 180.0° |
| C43 | C42 | C41 | H21 | 20.2° | 60.0° |
| C43 | C42 | C41 | H22 | 97.2° | 59.9° |
| C43 | C42 | H23 | H24 | 117.5° | 120.0° |
| C42 | C43 | H25 | H26 | 116.1° | 119.9° |
| C42 | C43 | C44 | H27 | 29.7° | 60.1° |
| C42 | C43 | C44 | H28 | 88.6° | 60.0° |
| C41 | C40 | C39 | H19 | 121.1° | 120.0° |
| C41 | C40 | C39 | H20 | 121.0° | 120.0° |
| C41 | C40 | C39 | C38 | 27.2° | 180.0° |
| C41 | C40 | C39 | H17 | 148.6° | 60.0° |
| C41 | C40 | C39 | H18 | 94.4° | 60.0° |
| C41 | C40 | H19 | H20 | 116.7° | 119.9° |
| C40 | C41 | H21 | H22 | 115.9° | 120.0° |
| C40 | C41 | C42 | H23 | 20.7° | 60.0° |
| C40 | C41 | C42 | H24 | 97.7° | 60.0° |
| C40 | C39 | C38 | H17 | 121.5° | 120.0° |
| C40 | C39 | C38 | H18 | 121.5° | 120.0° |
| C40 | C39 | C38 | C37 | 177.5° | 176.7° |
| C40 | C39 | C38 | H15 | 62.0° | 63.4° |
| C40 | C39 | C38 | H16 | 57.0° | 56.7° |
| C40 | C39 | H17 | H18 | 115.2° | 120.0° |
| C39 | C40 | H19 | H20 | 116.7° | 120.0° |
| C39 | C40 | C41 | H21 | 19.6° | 60.0° |
| C39 | C40 | C41 | H22 | 97.8° | 60.0° |
| C78 | C77 | N72 | H72 | 120.8° | 120.0° |
| C78 | C77 | N72 | H73 | 120.8° | 119.9° |
| C78 | C77 | N72 | C73 | 39.0° | 180.0° |
| C78 | C77 | N72 | C71 | 79.7° | 60.0° |
| C78 | C77 | N72 | C75 | 158.5° | 60.0° |
| C78 | C77 | H72 | H73 | 117.6° | 119.9° |
| C77 | C78 | H74 | H75 | 120.0° | 120.0° |
| C77 | C78 | H74 | H76 | 120.0° | 120.0° |
| C77 | C78 | H75 | H76 | 120.0° | 120.0° |
| C43 | C44 | C45 | H27 | 120.9° | 120.0° |
| C43 | C44 | C45 | H28 | 120.8° | 120.0° |
| C43 | C44 | C45 | C46 | 75.3° | 180.0° |
| C44 | C43 | C42 | H23 | 60.9° | 60.0° |
| C44 | C43 | C42 | H24 | 57.5° | 59.9° |
| C44 | C43 | H25 | H26 | 116.1° | 120.1° |
| C43 | C44 | H27 | H28 | 117.3° | 120.0° |
| C43 | C44 | C45 | H29 | 163.7° | 60.1° |
| C43 | C44 | C45 | H30 | 45.5° | 60.0° |
| C44 | C45 | C46 | H29 | 120.9° | 120.0° |
| C44 | C45 | C46 | H30 | 120.9° | 120.0° |
| C44 | C45 | C46 | C47 | 126.6° | 180.0° |
| C45 | C44 | C43 | H25 | 88.2° | 60.0° |
| C45 | C44 | C43 | H26 | 29.3° | 60.0° |
| C45 | C44 | H27 | H28 | 117.4° | 120.0° |
| C44 | C45 | H29 | H30 | 117.2° | 120.1° |
| C44 | C45 | C46 | H31 | 112.3° | 60.0° |
| C44 | C45 | C46 | H32 | 5.5° | 60.0° |
| C58 | N57 | C56 | H81 | 180.0° | 180.0° |
| C58 | N57 | C56 | C55 | 167.4° | 155.0° |
| C58 | N57 | C56 | C68 | 47.6° | 85.0° |
| C58 | N57 | C56 | H50 | 71.4° | 35.0° |
| O67 | C58 | N57 | C56 | 13.7° | 0.1° |
| O67 | C58 | N57 | H81 | 166.3° | 179.9° |
| O79 | C68 | C56 | N57 | 51.3° | 0.0° |
| O79 | C68 | C56 | C55 | 71.7° | 119.9° |
| O79 | C68 | C56 | N69 | 179.5° | 180.0° |
| O79 | C68 | N69 | C70 | 1.1° | 0.1° |
| O79 | C68 | C56 | H50 | 170.9° | 120.0° |
| O79 | C68 | N69 | H82 | 178.9° | 180.0° |
| N57 | C56 | C55 | C68 | 120.5° | 120.0° |
| N57 | C56 | C55 | H50 | 122.0° | 120.0° |
| N57 | C56 | C55 | C54 | 177.2° | 65.0° |
| N57 | C56 | C68 | H50 | 119.6° | 120.0° |
| N57 | C56 | C68 | N69 | 128.2° | 180.0° |
| N57 | C56 | C55 | H48 | 56.1° | 175.0° |
| N57 | C56 | C55 | H49 | 61.7° | 55.0° |
| C39 | C38 | C37 | H15 | 120.5° | 120.0° |
| C39 | C38 | C37 | H16 | 120.5° | 120.0° |
| C39 | C38 | C37 | N51 | 69.7° | 59.4° |
| C39 | C38 | C37 | S34 | 170.6° | 178.2° |
| C39 | C38 | C37 | O36 | 52.4° | 63.1° |
| C39 | C38 | H15 | H16 | 118.5° | 120.1° |
| C38 | C39 | H17 | H18 | 115.3° | 120.1° |
| C38 | C39 | C40 | H19 | 93.9° | 60.0° |
| C38 | C39 | C40 | H20 | 148.2° | 60.0° |
| C56 | C55 | C54 | H48 | 121.1° | 120.0° |
| C56 | C55 | C54 | H49 | 121.1° | 120.0° |
| C55 | C56 | C68 | H50 | 117.3° | 120.1° |
| C55 | C56 | C68 | N69 | 108.7° | 60.0° |
| C56 | C55 | C54 | C53 | 145.2° | 180.0° |
| C56 | C55 | C54 | H46 | 94.0° | 60.0° |
| C56 | C55 | C54 | H47 | 24.3° | 60.0° |
| C56 | C55 | H48 | H49 | 116.6° | 120.0° |
| C55 | C56 | N57 | H81 | 12.6° | 25.0° |
| C54 | C55 | C56 | C68 | 62.3° | 175.0° |
| C55 | C54 | C53 | H46 | 120.9° | 120.0° |
| C55 | C54 | C53 | H47 | 120.8° | 120.0° |
| C55 | C54 | C53 | C52 | 156.1° | 180.0° |
| C55 | C54 | C53 | H44 | 83.2° | 60.0° |
| C55 | C54 | C53 | H45 | 35.3° | 60.0° |
| C55 | C54 | H46 | H47 | 117.3° | 120.0° |
| C54 | C55 | H48 | H49 | 116.5° | 120.0° |
| C54 | C55 | C56 | H50 | 55.2° | 55.0° |
| C77 | N72 | C73 | C74 | 121.2° | 180.0° |
| C77 | N72 | C73 | C71 | 118.9° | 120.0° |
| C77 | N72 | C73 | C75 | 119.3° | 120.0° |
| C77 | N72 | C71 | C75 | 121.9° | 120.0° |
| C77 | N72 | C71 | C70 | 27.6° | 60.0° |
| C77 | N72 | C75 | C76 | 139.3° | 60.0° |
| C77 | N72 | C71 | H60 | 148.7° | 180.0° |
| C77 | N72 | C71 | H61 | 93.4° | 60.0° |
| C77 | N72 | C73 | H62 | 118.0° | 59.9° |
| C77 | N72 | C73 | H63 | 0.4° | 60.0° |
| C77 | N72 | C75 | H67 | 18.5° | 60.0° |
| C77 | N72 | C75 | H68 | 99.9° | 180.0° |
| N72 | C77 | H72 | H73 | 117.6° | 120.1° |
| N72 | C77 | C78 | H74 | 180.0° | 60.0° |
| N72 | C77 | C78 | H75 | 60.0° | 180.0° |
| N72 | C77 | C78 | H76 | 60.0° | 60.0° |
| C45 | C46 | C47 | H31 | 121.1° | 120.0° |
| C45 | C46 | C47 | H32 | 121.1° | 120.0° |
| C45 | C46 | C47 | C48 | 113.9° | 180.0° |
| C46 | C45 | C44 | H27 | 45.5° | 60.0° |
| C46 | C45 | C44 | H28 | 163.8° | 60.0° |
| C46 | C45 | H29 | H30 | 117.2° | 120.0° |
| C45 | C46 | H31 | H32 | 116.4° | 120.0° |
| C45 | C46 | C47 | H33 | 7.0° | 60.0° |
| C45 | C46 | C47 | H34 | 125.3° | 60.0° |
| C38 | C37 | N51 | S34 | 121.4° | 122.4° |
| C38 | C37 | N51 | O36 | 122.6° | 122.4° |
| C38 | C37 | N51 | C52 | 174.8° | 178.3° |
| C38 | C37 | S34 | O36 | 119.7° | 118.7° |
| C38 | C37 | S34 | C33 | 102.4° | 114.7° |
| C38 | C37 | O36 | C35 | 83.8° | 89.6° |
| C37 | C38 | H15 | H16 | 118.5° | 120.0° |
| C37 | C38 | C39 | H17 | 56.0° | 56.7° |
| C37 | C38 | C39 | H18 | 61.0° | 63.3° |
| C38 | C37 | N51 | H79 | 54.0° | 57.8° |
| C56 | C68 | N69 | C70 | 178.5° | 180.0° |
| C68 | C56 | C55 | H48 | 176.6° | 55.1° |
| C68 | C56 | C55 | H49 | 58.8° | 65.0° |
| C68 | C56 | N57 | H81 | 132.4° | 95.0° |
| C56 | C68 | N69 | H82 | 1.6° | 0.1° |
| C68 | N69 | C70 | H82 | 180.0° | 179.9° |
| C68 | N69 | C70 | C71 | 96.4° | 180.0° |
| N69 | C68 | C56 | H50 | 8.6° | 60.0° |
| C68 | N69 | C70 | H58 | 144.1° | 60.0° |
| C68 | N69 | C70 | H59 | 23.1° | 60.1° |
| C50 | C49 | C48 | H37 | 121.0° | 120.0° |
| C50 | C49 | C48 | H38 | 121.0° | 120.1° |
| C50 | C49 | C48 | C47 | 149.3° | 179.9° |
| C50 | C49 | C48 | H35 | 89.5° | 60.0° |
| C50 | C49 | C48 | H36 | 28.1° | 59.9° |
| C50 | C49 | H37 | H38 | 117.0° | 120.0° |
| C49 | C50 | H39 | H40 | 120.0° | 120.0° |
| C49 | C50 | H39 | H41 | 120.0° | 120.0° |
| C49 | C50 | H40 | H41 | 120.0° | 120.0° |
| C49 | C48 | C47 | C46 | 124.2° | 180.0° |
| C49 | C48 | C47 | H35 | 121.2° | 120.0° |
| C49 | C48 | C47 | H36 | 121.2° | 120.0° |
| C49 | C48 | C47 | H33 | 3.3° | 60.0° |
| C49 | C48 | C47 | H34 | 115.0° | 60.0° |
| C49 | C48 | H35 | H36 | 116.2° | 120.0° |
| C48 | C49 | H37 | H38 | 117.0° | 120.0° |
| C48 | C49 | C50 | H39 | 180.0° | 60.1° |
| C48 | C49 | C50 | H40 | 60.0° | 59.9° |
| C48 | C49 | C50 | H41 | 60.0° | 180.0° |
| C37 | N51 | C52 | H79 | 120.8° | 123.9° |
| C37 | N51 | C52 | C53 | 155.7° | 180.0° |
| N51 | C37 | S34 | O36 | 117.2° | 118.8° |
| N51 | C37 | S34 | C33 | 134.4° | 122.8° |
| N51 | C37 | O36 | C35 | 151.9° | 147.9° |
| N51 | C37 | C38 | H15 | 169.8° | 60.6° |
| N51 | C37 | C38 | H16 | 50.8° | 179.4° |
| C37 | N51 | C52 | H42 | 35.1° | 60.0° |
| C37 | N51 | C52 | H43 | 83.8° | 60.0° |
| N51 | C52 | C53 | C54 | 127.7° | 180.0° |
| N51 | C52 | C53 | H42 | 120.6° | 120.0° |
| N51 | C52 | C53 | H43 | 120.6° | 119.9° |
| C52 | N51 | C37 | S34 | 53.4° | 59.3° |
| C52 | N51 | C37 | O36 | 62.6° | 55.9° |
| N51 | C52 | H42 | H43 | 118.2° | 120.0° |
| N51 | C52 | C53 | H44 | 111.5° | 60.1° |
| N51 | C52 | C53 | H45 | 7.0° | 60.0° |
| C74 | C73 | N72 | H62 | 120.8° | 120.1° |
| C74 | C73 | N72 | H63 | 120.8° | 120.0° |
| C74 | C73 | N72 | C71 | 119.9° | 60.0° |
| C74 | C73 | N72 | C75 | 1.8° | 60.0° |
| C74 | C73 | H62 | H63 | 117.5° | 120.0° |
| C73 | C74 | H64 | H65 | 120.0° | 120.1° |
| C73 | C74 | H64 | H66 | 120.0° | 120.0° |
| C73 | C74 | H65 | H66 | 120.0° | 120.0° |
| C73 | N72 | C71 | C75 | 122.0° | 120.0° |
| C73 | N72 | C71 | C70 | 143.8° | 60.0° |
| C73 | N72 | C75 | C76 | 104.1° | 60.0° |
| C73 | N72 | C71 | H60 | 95.2° | 60.0° |
| C73 | N72 | C71 | H61 | 22.7° | 180.0° |
| N72 | C73 | H62 | H63 | 117.5° | 120.0° |
| N72 | C73 | C74 | H64 | 180.0° | 59.9° |
| N72 | C73 | C74 | H65 | 60.0° | 180.0° |
| N72 | C73 | C74 | H66 | 60.0° | 60.0° |
| C73 | N72 | C75 | H67 | 135.1° | 180.0° |
| C73 | N72 | C75 | H68 | 16.7° | 60.0° |
| C73 | N72 | C77 | H72 | 159.8° | 60.0° |
| C73 | N72 | C77 | H73 | 81.8° | 60.0° |
| C54 | C53 | C52 | H44 | 120.8° | 120.0° |
| C54 | C53 | C52 | H45 | 120.7° | 120.0° |
| C54 | C53 | C52 | H42 | 111.7° | 60.0° |
| C54 | C53 | C52 | H43 | 7.1° | 60.0° |
| C54 | C53 | H44 | H45 | 117.7° | 119.9° |
| C53 | C54 | H46 | H47 | 117.4° | 120.0° |
| C53 | C54 | C55 | H48 | 24.1° | 60.0° |
| C53 | C54 | C55 | H49 | 93.7° | 60.0° |
| C53 | C52 | H42 | H43 | 118.2° | 120.1° |
| C52 | C53 | H44 | H45 | 117.6° | 120.1° |
| C52 | C53 | C54 | H46 | 35.2° | 60.0° |
| C52 | C53 | C54 | H47 | 83.1° | 60.0° |
| C53 | C52 | N51 | H79 | 83.5° | 56.1° |
| C46 | C47 | C48 | H33 | 120.8° | 120.0° |
| C46 | C47 | C48 | H34 | 120.9° | 120.0° |
| C47 | C46 | C45 | H29 | 5.7° | 60.0° |
| C47 | C46 | C45 | H30 | 112.5° | 60.0° |
| C47 | C46 | H31 | H32 | 116.4° | 120.0° |
| C46 | C47 | H33 | H34 | 117.4° | 120.0° |
| C46 | C47 | C48 | H35 | 3.0° | 60.0° |
| C46 | C47 | C48 | H36 | 114.7° | 60.0° |
| S34 | C37 | O36 | C35 | 36.0° | 29.1° |
| C37 | S34 | C33 | C35 | 3.3° | 18.3° |
| C37 | S34 | C33 | O32 | 114.1° | 92.6° |
| C37 | S34 | C33 | H13 | 122.0° | 140.2° |
| S34 | C37 | C38 | H15 | 50.1° | 61.9° |
| S34 | C37 | C38 | H16 | 68.9° | 58.2° |
| S34 | C37 | N51 | H79 | 67.4° | 64.6° |
| O36 | C37 | S34 | C33 | 17.3° | 4.0° |
| C37 | O36 | C35 | C33 | 39.3° | 45.8° |
| C37 | O36 | C35 | C02 | 152.9° | 153.7° |
| C37 | O36 | C35 | H14 | 80.7° | 80.3° |
| O36 | C37 | C38 | H15 | 68.1° | 177.0° |
| O36 | C37 | C38 | H16 | 172.9° | 57.0° |
| O36 | C37 | N51 | H79 | 176.6° | 179.8° |
| N72 | C71 | C70 | N69 | 146.4° | 180.0° |
| N72 | C71 | C70 | H60 | 121.0° | 120.1° |
| N72 | C71 | C70 | H61 | 121.0° | 120.0° |
| C71 | N72 | C75 | C76 | 17.4° | 180.0° |
| N72 | C71 | C70 | H58 | 94.1° | 60.0° |
| N72 | C71 | C70 | H59 | 26.9° | 60.0° |
| N72 | C71 | H60 | H61 | 116.7° | 120.0° |
| C71 | N72 | C73 | H62 | 0.9° | 60.0° |
| C71 | N72 | C73 | H63 | 119.3° | 180.0° |
| C71 | N72 | C75 | H67 | 103.4° | 60.0° |
| C71 | N72 | C75 | H68 | 138.2° | 60.0° |
| C71 | N72 | C77 | H72 | 41.1° | 180.0° |
| C71 | N72 | C77 | H73 | 159.6° | 60.0° |
| C75 | N72 | C71 | C70 | 94.3° | 180.0° |
| N72 | C75 | C76 | H67 | 120.8° | 120.0° |
| N72 | C75 | C76 | H68 | 120.8° | 120.0° |
| C75 | N72 | C71 | H60 | 26.8° | 60.0° |
| C75 | N72 | C71 | H61 | 144.7° | 60.0° |
| C75 | N72 | C73 | H62 | 122.6° | 180.0° |
| C75 | N72 | C73 | H63 | 118.9° | 60.0° |
| N72 | C75 | H67 | H68 | 117.5° | 120.0° |
| N72 | C75 | C76 | H69 | 180.0° | 60.0° |
| N72 | C75 | C76 | H70 | 60.0° | 60.0° |
| N72 | C75 | C76 | H71 | 60.0° | 180.0° |
| C75 | N72 | C77 | H72 | 80.7° | 60.0° |
| C75 | N72 | C77 | H73 | 37.7° | 180.0° |
| C48 | C47 | C46 | H31 | 125.0° | 60.0° |
| C48 | C47 | C46 | H32 | 7.3° | 60.0° |
| C48 | C47 | H33 | H34 | 117.3° | 120.0° |
| C47 | C48 | H35 | H36 | 116.3° | 120.0° |
| C47 | C48 | C49 | H37 | 28.3° | 60.0° |
| C47 | C48 | C49 | H38 | 89.8° | 60.0° |
| N69 | C70 | C71 | H58 | 119.5° | 120.0° |
| N69 | C70 | C71 | H59 | 119.5° | 120.0° |
| N69 | C70 | H58 | H59 | 121.5° | 120.0° |
| N69 | C70 | C71 | H60 | 92.5° | 60.0° |
| N69 | C70 | C71 | H61 | 25.4° | 60.0° |
| C71 | C70 | H58 | H59 | 121.4° | 120.0° |
| C70 | C71 | H60 | H61 | 116.7° | 119.9° |
| C71 | C70 | N69 | H82 | 83.6° | 0.0° |
| S34 | C33 | C35 | O36 | 23.1° | 37.4° |
| S34 | C33 | C35 | O32 | 119.9° | 114.2° |
| S34 | C33 | C35 | H13 | 116.6° | 121.8° |
| S34 | C33 | C35 | C02 | 147.2° | 150.5° |
| S34 | C33 | O32 | H13 | 120.5° | 127.2° |
| S34 | C33 | O32 | C03 | 117.5° | 132.8° |
| S34 | C33 | C35 | H14 | 98.0° | 88.9° |
| O36 | C35 | C33 | C02 | 124.1° | 113.1° |
| O36 | C35 | C33 | H14 | 121.2° | 126.3° |
| O36 | C35 | C02 | H14 | 127.3° | 126.2° |
| O36 | C35 | C33 | O32 | 96.8° | 76.8° |
| O36 | C35 | C02 | O01 | 38.1° | 39.2° |
| O36 | C35 | C02 | C03 | 77.7° | 79.1° |
| O36 | C35 | C02 | H1 | 166.5° | 162.6° |
| O36 | C35 | C33 | H13 | 139.7° | 159.2° |
| C76 | C75 | H67 | H68 | 117.5° | 120.1° |
| C75 | C76 | H69 | H70 | 120.0° | 120.0° |
| C75 | C76 | H69 | H71 | 120.0° | 120.0° |
| C75 | C76 | H70 | H71 | 120.0° | 120.0° |
| C33 | C35 | C02 | H14 | 114.8° | 120.7° |
| C35 | C33 | O32 | H13 | 122.0° | 124.2° |
| C33 | C35 | C02 | O01 | 155.9° | 152.4° |
| C35 | C33 | O32 | C03 | 0.0° | 24.2° |
| C33 | C35 | C02 | C03 | 40.1° | 34.1° |
| C33 | C35 | C02 | H1 | 75.7° | 84.2° |
| C02 | C35 | C33 | O32 | 27.2° | 36.3° |
| C35 | C02 | O01 | C03 | 106.6° | 113.2° |
| C35 | C02 | O01 | H1 | 127.0° | 123.4° |
| C35 | C02 | C03 | O32 | 42.9° | 21.7° |
| C35 | C02 | C03 | H1 | 115.7° | 118.2° |
| C35 | C02 | C03 | C04 | 162.1° | 141.3° |
| C35 | C02 | C03 | H2 | 77.4° | 97.9° |
| C02 | C35 | C33 | H13 | 96.2° | 87.8° |
| C35 | C02 | O01 | H83 | 180.0° | 174.7° |
| C33 | O32 | C03 | C02 | 28.2° | 1.5° |
| C33 | O32 | C03 | C04 | 148.2° | 118.0° |
| C33 | O32 | C03 | H2 | 90.8° | 121.1° |
| O32 | C33 | C35 | H14 | 142.0° | 156.9° |
| O01 | C02 | C03 | O32 | 159.5° | 140.2° |
| O01 | C02 | C03 | H1 | 127.7° | 123.3° |
| O01 | C02 | C03 | C04 | 81.3° | 100.3° |
| O01 | C02 | C03 | H2 | 39.2° | 20.6° |
| O01 | C02 | C35 | H14 | 89.2° | 86.9° |
| O32 | C03 | C02 | C04 | 119.2° | 119.5° |
| O32 | C03 | C02 | H2 | 120.3° | 119.6° |
| O32 | C03 | C04 | H2 | 122.3° | 121.0° |
| O32 | C03 | C04 | O05 | 61.8° | 66.9° |
| O32 | C03 | C02 | H1 | 72.8° | 96.5° |
| O32 | C03 | C04 | H3 | 58.3° | 173.1° |
| O32 | C03 | C04 | H4 | 178.1° | 53.1° |
| C03 | O32 | C33 | H13 | 122.0° | 100.0° |
| C02 | C03 | C04 | H2 | 120.7° | 120.9° |
| C02 | C03 | C04 | O05 | 55.2° | 175.0° |
| C02 | C03 | C04 | H3 | 175.3° | 55.0° |
| C02 | C03 | C04 | H4 | 64.9° | 65.0° |
| C03 | C02 | C35 | H14 | 155.0° | 154.8° |
| C03 | C02 | O01 | H83 | 73.5° | 61.5° |
| C03 | C04 | O05 | H3 | 120.1° | 120.0° |
| C03 | C04 | O05 | H4 | 120.1° | 120.0° |
| C03 | C04 | O05 | P06 | 131.2° | 180.0° |
| C04 | C03 | C02 | H1 | 46.4° | 23.0° |
| C03 | C04 | H3 | H4 | 119.7° | 120.0° |
| C04 | O05 | P06 | O30 | 59.2° | 55.0° |
| C04 | O05 | P06 | O07 | 177.8° | 175.0° |
| C04 | O05 | P06 | O31 | 64.2° | 65.0° |
| O05 | C04 | C03 | H2 | 175.9° | 54.1° |
| O05 | C04 | H3 | H4 | 119.7° | 120.0° |
| O05 | P06 | O30 | O07 | 116.0° | 120.1° |
| O05 | P06 | O30 | O31 | 116.4° | 120.0° |
| O05 | P06 | O07 | O31 | 110.8° | 120.0° |
| O05 | P06 | O07 | P08 | 73.2° | 160.0° |
| P06 | O05 | C04 | H3 | 108.7° | 60.0° |
| P06 | O05 | C04 | H4 | 11.1° | 60.0° |
| O05 | P06 | O31 | H87 | 121.8° | 60.0° |
| O30 | P06 | O07 | O31 | 128.6° | 120.0° |
| O30 | P06 | O07 | P08 | 166.2° | 40.0° |
| O30 | P06 | O31 | H87 | 0.0° | 180.0° |
| P06 | O07 | P08 | O29 | 28.6° | 45.0° |
| P06 | O07 | P08 | O09 | 178.5° | 75.0° |
| P06 | O07 | P08 | O10 | 81.6° | 165.0° |
| O07 | P06 | O31 | H87 | 125.9° | 60.0° |
| O31 | P06 | O07 | P08 | 37.6° | 80.0° |
| O07 | P08 | O29 | O09 | 146.7° | 120.0° |
| O07 | P08 | O29 | O10 | 102.3° | 120.0° |
| O07 | P08 | O09 | O10 | 100.2° | 120.0° |
| O07 | P08 | O10 | C11 | 72.3° | 175.0° |
| O07 | P08 | O09 | H84 | 143.6° | 60.0° |
| O29 | P08 | O09 | O10 | 116.2° | 120.0° |
| O29 | P08 | O10 | C11 | 177.6° | 55.0° |
| O29 | P08 | O09 | H84 | 0.0° | 180.0° |
| O09 | P08 | O10 | C11 | 46.8° | 65.0° |
| P08 | O10 | C11 | C12 | 171.8° | 180.0° |
| P08 | O10 | C11 | H5 | 68.0° | 60.0° |
| P08 | O10 | C11 | H6 | 51.6° | 60.0° |
| O10 | P08 | O09 | H84 | 116.2° | 60.0° |
| O10 | C11 | C12 | H5 | 120.2° | 120.1° |
| O10 | C11 | C12 | H6 | 120.2° | 120.0° |
| O10 | C11 | C12 | C13 | 55.4° | 175.0° |
| O10 | C11 | C12 | O28 | 177.4° | 69.6° |
| O10 | C11 | H5 | H6 | 119.4° | 119.9° |
| O10 | C11 | C12 | H7 | 61.6° | 52.7° |
| C11 | C12 | C13 | O28 | 124.3° | 118.8° |
| C11 | C12 | C13 | H7 | 116.8° | 122.3° |
| C11 | C12 | O28 | H7 | 119.9° | 122.3° |
| C11 | C12 | C13 | C15 | 101.7° | 142.8° |
| C11 | C12 | C13 | O14 | 142.0° | 98.6° |
| C11 | C12 | O28 | C17 | 124.0° | 159.4° |
| C12 | C11 | H5 | H6 | 119.5° | 120.0° |
| C11 | C12 | C13 | H8 | 14.9° | 24.2° |
| C13 | C12 | O28 | H7 | 117.9° | 118.9° |
| C12 | C13 | C15 | O14 | 116.7° | 118.6° |
| C12 | C13 | C15 | H8 | 116.9° | 118.7° |
| C12 | C13 | O14 | H8 | 125.9° | 122.8° |
| C13 | C12 | O28 | C17 | 1.7° | 40.6° |
| C12 | C13 | C15 | C17 | 35.3° | 0.0° |
| C12 | C13 | C15 | O16 | 148.7° | 118.6° |
| C13 | C12 | C11 | H5 | 175.5° | 55.0° |
| C13 | C12 | C11 | H6 | 64.8° | 65.0° |
| C12 | C13 | C15 | H9 | 83.1° | 118.6° |
| C12 | C13 | O14 | H85 | 180.0° | 180.0° |
| O28 | C12 | C13 | C15 | 22.6° | 24.0° |
| O28 | C12 | C13 | O14 | 93.7° | 142.6° |
| C12 | O28 | C17 | C15 | 24.8° | 40.6° |
| C12 | O28 | C17 | N18 | 151.5° | 159.4° |
| O28 | C12 | C11 | H5 | 62.4° | 170.3° |
| O28 | C12 | C11 | H6 | 57.3° | 50.3° |
| O28 | C12 | C13 | H8 | 139.2° | 94.6° |
| C12 | O28 | C17 | H10 | 90.7° | 78.4° |
| C15 | C13 | O14 | H8 | 125.1° | 122.6° |
| C13 | C15 | C17 | O28 | 37.8° | 24.0° |
| C13 | C15 | C17 | O16 | 116.6° | 118.7° |
| C13 | C15 | C17 | H9 | 118.7° | 118.6° |
| C13 | C15 | O16 | H9 | 126.9° | 122.7° |
| C13 | C15 | C17 | N18 | 152.2° | 142.8° |
| C15 | C13 | C12 | H7 | 141.5° | 94.9° |
| C13 | C15 | C17 | H10 | 79.7° | 95.0° |
| C15 | C13 | O14 | H85 | 71.0° | 65.4° |
| C13 | C15 | O16 | H86 | 180.0° | 61.4° |
| O14 | C13 | C15 | C17 | 81.4° | 118.6° |
| O14 | C13 | C15 | O16 | 32.0° | 0.0° |
| O14 | C13 | C12 | H7 | 25.2° | 23.7° |
| O14 | C13 | C15 | H9 | 160.3° | 122.8° |
| O28 | C17 | N18 | C27 | 69.5° | 20.3° |
| O28 | C17 | C15 | N18 | 114.4° | 118.8° |
| O28 | C17 | C15 | H10 | 117.6° | 119.0° |
| O28 | C17 | C15 | O16 | 154.4° | 142.7° |
| O28 | C17 | N18 | H10 | 118.9° | 122.3° |
| O28 | C17 | N18 | C19 | 107.6° | 159.6° |
| C17 | O28 | C12 | H7 | 116.2° | 78.3° |
| O28 | C17 | C15 | H9 | 80.8° | 94.6° |
| N26 | C27 | N18 | H12 | 180.0° | 180.0° |
| N26 | C27 | N18 | C17 | 178.8° | 179.7° |
| N26 | C27 | N18 | C19 | 1.0° | 0.2° |
| C27 | N26 | C25 | C19 | 0.3° | 0.1° |
| C27 | N26 | C25 | C23 | 179.7° | 179.9° |
| N18 | C27 | N26 | C25 | 0.4° | 0.0° |
| C27 | N18 | C17 | C15 | 44.0° | 95.1° |
| C27 | N18 | C17 | C19 | 177.1° | 179.9° |
| C27 | N18 | C19 | C25 | 1.1° | 0.2° |
| C27 | N18 | C19 | N20 | 179.8° | 179.9° |
| C27 | N18 | C17 | H10 | 171.5° | 142.6° |
| N26 | C25 | C19 | N18 | 0.9° | 0.2° |
| N26 | C25 | C19 | C23 | 179.4° | 180.0° |
| N26 | C25 | C23 | N24 | 0.3° | 0.0° |
| N26 | C25 | C19 | N20 | 179.9° | 180.0° |
| N26 | C25 | C23 | N22 | 179.9° | 180.0° |
| C25 | N26 | C27 | H12 | 179.6° | 180.0° |
| C17 | C15 | O16 | H9 | 122.9° | 122.6° |
| C15 | C17 | N18 | H10 | 127.5° | 122.3° |
| C15 | C17 | N18 | C19 | 138.9° | 85.0° |
| C17 | C15 | C13 | H8 | 152.2° | 118.7° |
| C17 | C15 | O16 | H86 | 69.7° | 176.0° |
| O16 | C15 | C17 | N18 | 91.2° | 98.6° |
| O16 | C15 | C13 | H8 | 94.4° | 122.7° |
| O16 | C15 | C17 | H10 | 36.9° | 23.7° |
| C17 | N18 | C19 | C25 | 178.6° | 179.7° |
| C17 | N18 | C19 | N20 | 2.3° | 0.0° |
| N18 | C17 | C15 | H9 | 33.6° | 24.2° |
| C17 | N18 | C27 | H12 | 1.2° | 0.3° |
| N18 | C19 | C25 | N20 | 179.2° | 179.7° |
| N18 | C19 | C25 | C23 | 179.6° | 179.8° |
| N18 | C19 | N20 | C21 | 179.2° | 179.6° |
| C19 | N18 | C17 | H10 | 11.4° | 37.3° |
| C19 | N18 | C27 | H12 | 179.0° | 179.8° |
| C19 | C25 | C23 | N24 | 179.6° | 180.0° |
| C19 | C25 | C23 | N22 | 0.6° | 0.1° |
| C25 | C19 | N20 | C21 | 0.2° | 0.0° |
| C25 | C23 | N24 | N22 | 179.8° | 179.9° |
| C23 | C25 | C19 | N20 | 0.5° | 0.1° |
| C25 | C23 | N22 | C21 | 0.5° | 0.0° |
| C25 | C23 | N24 | H77 | 179.9° | 180.0° |
| C25 | C23 | N24 | H78 | 60.2° | 0.1° |
| N24 | C23 | N22 | C21 | 179.6° | 179.9° |
| C23 | N24 | H77 | H78 | 120.0° | 179.9° |
| C19 | N20 | C21 | N22 | 0.2° | 0.1° |
| C19 | N20 | C21 | H11 | 179.8° | 180.0° |
| C23 | N22 | C21 | N20 | 0.4° | 0.1° |
| C23 | N22 | C21 | H11 | 179.6° | 179.9° |
| N22 | C23 | N24 | H77 | 0.0° | 0.0° |
| N22 | C23 | N24 | H78 | 120.0° | 180.0° |
| N20 | C21 | N22 | H11 | 180.0° | 179.9° |
| H1 | C02 | C03 | H2 | 166.9° | 143.9° |
| H1 | C02 | C35 | H14 | 39.1° | 36.5° |
| H1 | C02 | O01 | H83 | 53.0° | 61.9° |
| H2 | C03 | C04 | H3 | 64.0° | 65.9° |
| H2 | C03 | C04 | H4 | 55.8° | 174.1° |
| H5 | C11 | C12 | H7 | 58.6° | 67.3° |
| H6 | C11 | C12 | H7 | 178.2° | 172.7° |
| H7 | C12 | C13 | H8 | 101.9° | 146.4° |
| H8 | C13 | C15 | H9 | 33.9° | 0.1° |
| H8 | C13 | O14 | H85 | 54.1° | 57.3° |
| H9 | C15 | C17 | H10 | 161.6° | 146.4° |
| H9 | C15 | O16 | H86 | 53.2° | 61.3° |
| H13 | C33 | C35 | H14 | 18.6° | 32.9° |
| H15 | C38 | C39 | H17 | 176.6° | 176.6° |
| H15 | C38 | C39 | H18 | 59.5° | 56.6° |
| H16 | C38 | C39 | H17 | 64.5° | 63.3° |
| H16 | C38 | C39 | H18 | 178.5° | 176.6° |
| H17 | C39 | C40 | H19 | 27.6° | 180.0° |
| H17 | C39 | C40 | H20 | 90.3° | 60.0° |
| H18 | C39 | C40 | H19 | 144.6° | 60.0° |
| H18 | C39 | C40 | H20 | 26.7° | 180.0° |
| H19 | C40 | C41 | H21 | 140.7° | 180.0° |
| H19 | C40 | C41 | H22 | 23.3° | 60.0° |
| H20 | C40 | C41 | H21 | 101.4° | 60.1° |
| H20 | C40 | C41 | H22 | 141.2° | 180.0° |
| H21 | C41 | C42 | H23 | 100.6° | 180.0° |
| H21 | C41 | C42 | H24 | 141.0° | 60.0° |
| H22 | C41 | C42 | H23 | 142.0° | 60.0° |
| H22 | C41 | C42 | H24 | 23.6° | 180.0° |
| H23 | C42 | C43 | H25 | 177.9° | 180.0° |
| H23 | C42 | C43 | H26 | 60.4° | 60.1° |
| H24 | C42 | C43 | H25 | 63.7° | 60.0° |
| H24 | C42 | C43 | H26 | 178.7° | 180.0° |
| H25 | C43 | C44 | H27 | 150.9° | 180.0° |
| H25 | C43 | C44 | H28 | 32.6° | 60.0° |
| H26 | C43 | C44 | H27 | 91.5° | 60.0° |
| H26 | C43 | C44 | H28 | 150.2° | 180.0° |
| H27 | C44 | C45 | H29 | 75.4° | 180.0° |
| H27 | C44 | C45 | H30 | 166.4° | 60.0° |
| H28 | C44 | C45 | H29 | 42.9° | 59.9° |
| H28 | C44 | C45 | H30 | 75.3° | 180.0° |
| H29 | C45 | C46 | H31 | 126.8° | 180.0° |
| H29 | C45 | C46 | H32 | 115.4° | 60.0° |
| H30 | C45 | C46 | H31 | 8.6° | 60.1° |
| H30 | C45 | C46 | H32 | 126.3° | 180.0° |
| H31 | C46 | C47 | H33 | 114.2° | 180.0° |
| H31 | C46 | C47 | H34 | 4.2° | 60.0° |
| H32 | C46 | C47 | H33 | 128.1° | 60.0° |
| H32 | C46 | C47 | H34 | 113.6° | 180.0° |
| H33 | C47 | C48 | H35 | 117.9° | NaN° |
| H33 | C47 | C48 | H36 | 124.5° | 60.0° |
| H34 | C47 | C48 | H35 | 123.8° | 60.0° |
| H34 | C47 | C48 | H36 | 6.2° | 180.0° |
| H35 | C48 | C49 | H37 | 149.5° | 180.0° |
| H35 | C48 | C49 | H38 | 31.4° | 60.0° |
| H36 | C48 | C49 | H37 | 92.9° | 60.0° |
| H36 | C48 | C49 | H38 | 149.0° | 180.0° |
| H37 | C49 | C50 | H39 | 59.0° | 180.0° |
| H37 | C49 | C50 | H40 | 61.0° | 60.0° |
| H37 | C49 | C50 | H41 | 179.0° | 60.0° |
| H38 | C49 | C50 | H39 | 59.0° | 60.0° |
| H38 | C49 | C50 | H40 | 179.1° | 180.0° |
| H38 | C49 | C50 | H41 | 61.0° | 60.0° |
| H39 | C50 | H40 | H41 | 120.0° | 120.0° |
| H42 | C52 | C53 | H44 | 9.1° | 59.9° |
| H42 | C52 | C53 | H45 | 127.6° | 180.0° |
| H42 | C52 | N51 | H79 | 155.9° | 63.9° |
| H43 | C52 | C53 | H44 | 127.9° | 180.0° |
| H43 | C52 | C53 | H45 | 113.6° | 59.9° |
| H43 | C52 | N51 | H79 | 37.1° | 176.1° |
| H44 | C53 | C54 | H46 | 156.0° | 180.0° |
| H44 | C53 | C54 | H47 | 37.7° | 60.0° |
| H45 | C53 | C54 | H46 | 85.5° | 60.0° |
| H45 | C53 | C54 | H47 | 156.2° | 179.9° |
| H46 | C54 | C55 | H48 | 144.9° | 180.0° |
| H46 | C54 | C55 | H49 | 27.1° | 60.0° |
| H47 | C54 | C55 | H48 | 96.8° | 60.0° |
| H47 | C54 | C55 | H49 | 145.4° | 180.0° |
| H48 | C55 | C56 | H50 | 65.9° | 65.0° |
| H49 | C55 | C56 | H50 | 176.3° | 175.0° |
| H50 | C56 | N57 | H81 | 108.6° | 145.0° |
| H53 | C62 | C63 | H54 | 0.1° | 0.0° |
| H54 | C63 | C64 | H55 | 0.2° | 0.3° |
| H55 | C64 | C65 | H56 | 0.2° | 0.3° |
| H56 | C65 | C66 | H57 | 0.0° | 0.2° |
| H58 | C70 | C71 | H60 | 27.0° | 60.0° |
| H58 | C70 | C71 | H61 | 144.9° | 180.0° |
| H58 | C70 | N69 | H82 | 35.9° | 120.0° |
| H59 | C70 | C71 | H60 | 147.9° | 180.0° |
| H59 | C70 | C71 | H61 | 94.1° | 60.0° |
| H59 | C70 | N69 | H82 | 156.9° | 120.0° |
| H62 | C73 | C74 | H64 | 59.2° | 180.0° |
| H62 | C73 | C74 | H65 | 60.8° | 60.0° |
| H62 | C73 | C74 | H66 | 179.2° | 60.0° |
| H63 | C73 | C74 | H64 | 59.2° | 60.1° |
| H63 | C73 | C74 | H65 | 179.2° | 60.0° |
| H63 | C73 | C74 | H66 | 60.8° | 179.9° |
| H64 | C74 | H65 | H66 | 120.0° | 120.0° |
| H67 | C75 | C76 | H69 | 59.2° | 59.9° |
| H67 | C75 | C76 | H70 | 179.2° | 179.9° |
| H67 | C75 | C76 | H71 | 60.8° | 60.1° |
| H68 | C75 | C76 | H69 | 59.2° | 180.0° |
| H68 | C75 | C76 | H70 | 60.8° | 60.0° |
| H68 | C75 | C76 | H71 | 179.2° | 60.0° |
| H69 | C76 | H70 | H71 | 120.0° | 119.9° |
| H72 | C77 | C78 | H74 | 59.2° | 179.9° |
| H72 | C77 | C78 | H75 | 60.8° | 59.9° |
| H72 | C77 | C78 | H76 | 179.2° | 60.1° |
| H73 | C77 | C78 | H74 | 59.2° | 60.0° |
| H73 | C77 | C78 | H75 | 179.2° | 60.0° |
| H73 | C77 | C78 | H76 | 60.8° | 180.0° |
| H74 | C78 | H75 | H76 | 120.0° | 120.0° |
