5IA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N22 | doub | 1.32Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.32Å | 1.35Å | Aromatic |
| N22 | C23 | sing | 1.33Å | 1.38Å | Aromatic |
| N20 | C19 | doub | 1.33Å | 1.37Å | Aromatic |
| C23 | N24 | sing | 1.38Å | 1.42Å | |
| C23 | C25 | doub | 1.41Å | 1.47Å | Aromatic |
| C19 | C25 | sing | 1.40Å | 1.43Å | Aromatic |
| C19 | N18 | sing | 1.37Å | 1.40Å | Aromatic |
| O16 | C15 | sing | 1.43Å | 1.41Å | |
| C25 | N26 | sing | 1.35Å | 1.42Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.38Å | |
| C17 | N18 | sing | 1.46Å | 1.49Å | |
| C17 | C15 | sing | 1.55Å | 1.52Å | |
| C17 | O28 | sing | 1.45Å | 1.43Å | |
| N18 | C27 | sing | 1.36Å | 1.44Å | Aromatic |
| C15 | C13 | sing | 1.54Å | 1.60Å | |
| N26 | C27 | doub | 1.30Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.55Å | 1.59Å | |
| O28 | C12 | sing | 1.44Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.61Å | |
| C11 | O10 | sing | 1.43Å | 1.37Å | |
| O10 | P08 | sing | 1.61Å | 1.79Å | |
| O30 | P06 | doub | 1.48Å | 1.50Å | |
| P08 | O29 | doub | 1.48Å | 1.49Å | |
| P08 | O09 | sing | 1.61Å | 1.49Å | |
| P08 | O07 | sing | 1.61Å | 1.72Å | |
| O07 | P06 | sing | 1.61Å | 1.71Å | |
| P06 | O31 | sing | 1.61Å | 1.48Å | |
| P06 | O05 | sing | 1.61Å | 1.86Å | |
| O05 | C04 | sing | 1.43Å | 1.36Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | O32 | sing | 1.44Å | 1.43Å | |
| C03 | C02 | sing | 1.54Å | 1.57Å | |
| O32 | C33 | sing | 1.44Å | 1.39Å | |
| C02 | O01 | sing | 1.43Å | 1.38Å | |
| C02 | C35 | sing | 1.55Å | 1.55Å | |
| C74 | C73 | sing | 1.53Å | 1.57Å | |
| C33 | C35 | sing | 1.54Å | 1.58Å | |
| C33 | S34 | sing | 1.81Å | 1.82Å | |
| C35 | O36 | sing | 1.43Å | 1.47Å | |
| C73 | N72 | sing | 1.47Å | 1.58Å | |
| O36 | C37 | sing | 1.35Å | 1.36Å | |
| C70 | N69 | sing | 1.46Å | 1.51Å | |
| C70 | C71 | sing | 1.53Å | 1.62Å | |
| N69 | C68 | sing | 1.35Å | 1.49Å | |
| C71 | N72 | sing | 1.47Å | 1.61Å | |
| C47 | C48 | sing | 1.53Å | 1.58Å | |
| C47 | C46 | sing | 1.53Å | 1.60Å | |
| C48 | C49 | sing | 1.53Å | 1.58Å | |
| N72 | C77 | sing | 1.47Å | 1.61Å | |
| N72 | C75 | sing | 1.47Å | 1.59Å | |
| C52 | C53 | sing | 1.53Å | 1.59Å | |
| C52 | N51 | sing | 1.46Å | 1.53Å | |
| C54 | C53 | sing | 1.53Å | 1.61Å | |
| C54 | C55 | sing | 1.53Å | 1.60Å | |
| C77 | C78 | sing | 1.53Å | 1.59Å | |
| C46 | C45 | sing | 1.53Å | 1.59Å | |
| C37 | N51 | doub | 1.29Å | 1.35Å | |
| C37 | C38 | sing | 1.51Å | 1.59Å | |
| C68 | C56 | sing | 1.51Å | 1.62Å | |
| C68 | O79 | doub | 1.21Å | 1.21Å | |
| C56 | C55 | sing | 1.53Å | 1.61Å | |
| C56 | N57 | sing | 1.47Å | 1.52Å | |
| O67 | C58 | doub | 1.21Å | 1.22Å | |
| C49 | C50 | sing | 1.53Å | 1.55Å | |
| C75 | C76 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.53Å | 1.58Å | |
| C40 | C39 | sing | 1.53Å | 1.58Å | |
| C40 | C41 | sing | 1.53Å | 1.58Å | |
| N57 | C58 | sing | 1.35Å | 1.47Å | |
| C58 | O59 | sing | 1.35Å | 1.42Å | |
| C45 | C44 | sing | 1.53Å | 1.61Å | |
| C42 | C41 | sing | 1.53Å | 1.60Å | |
| C42 | C43 | sing | 1.53Å | 1.59Å | |
| C44 | C43 | sing | 1.53Å | 1.58Å | |
| C60 | O59 | sing | 1.45Å | 1.47Å | |
| C60 | C61 | sing | 1.51Å | 1.62Å | |
| C61 | C62 | doub | 1.38Å | 1.42Å | Aromatic |
| C61 | C66 | sing | 1.38Å | 1.43Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.43Å | Aromatic |
| C66 | C65 | doub | 1.38Å | 1.42Å | Aromatic |
| C63 | C64 | doub | 1.38Å | 1.42Å | Aromatic |
| C65 | C64 | sing | 1.38Å | 1.42Å | 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 | |
| N57 | H79 | sing | 0.97Å | 1.00Å | |
| N69 | H80 | sing | 0.97Å | 1.00Å | |
| O01 | H81 | sing | 0.97Å | 0.95Å | |
| O09 | H82 | sing | 0.97Å | 0.95Å | |
| O14 | H83 | sing | 0.97Å | 0.95Å | |
| O16 | H84 | sing | 0.97Å | 0.95Å | |
| O31 | H85 | sing | 0.97Å | 0.95Å | |
| S34 | H86 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | C21 | N20 | 128.0° | 122.4° |
| C21 | N22 | C23 | 119.6° | 121.2° |
| N22 | C21 | H11 | 116.0° | 118.8° |
| C21 | N20 | C19 | 113.4° | 120.7° |
| N20 | C21 | H11 | 116.0° | 118.8° |
| N22 | C23 | N24 | 118.9° | 120.8° |
| N22 | C23 | C25 | 116.3° | 118.4° |
| N20 | C19 | C25 | 124.3° | 119.1° |
| N20 | C19 | N18 | 127.6° | 134.9° |
| N24 | C23 | C25 | 124.8° | 120.8° |
| C23 | N24 | H77 | 109.5° | 120.0° |
| C23 | N24 | H78 | 109.4° | 120.0° |
| C23 | C25 | C19 | 118.4° | 118.2° |
| C23 | C25 | N26 | 134.2° | 134.6° |
| C25 | C19 | N18 | 108.1° | 106.0° |
| C19 | C25 | N26 | 107.4° | 107.2° |
| C19 | N18 | C17 | 124.3° | 126.3° |
| C19 | N18 | C27 | 106.0° | 107.5° |
| O16 | C15 | C17 | 112.0° | 110.6° |
| O16 | C15 | C13 | 115.8° | 110.5° |
| O16 | C15 | H9 | 112.2° | 110.5° |
| C15 | O16 | H84 | 109.5° | 114.0° |
| C25 | N26 | C27 | 108.0° | 109.4° |
| O14 | C13 | C15 | 109.1° | 110.6° |
| O14 | C13 | C12 | 110.5° | 110.5° |
| O14 | C13 | H8 | 112.1° | 110.5° |
| C13 | O14 | H83 | 109.5° | 114.0° |
| N18 | C17 | C15 | 110.5° | 110.4° |
| N18 | C17 | O28 | 111.0° | 110.4° |
| C17 | N18 | C27 | 129.6° | 126.3° |
| N18 | C17 | H10 | 108.1° | 110.4° |
| C15 | C17 | O28 | 110.4° | 104.8° |
| C17 | C15 | C13 | 95.7° | 104.1° |
| C17 | C15 | H9 | 110.5° | 110.4° |
| C15 | C17 | H10 | 107.8° | 110.3° |
| C17 | O28 | C12 | 113.0° | 105.3° |
| O28 | C17 | H10 | 108.9° | 110.3° |
| N18 | C27 | N26 | 110.5° | 109.9° |
| N18 | C27 | H12 | 124.7° | 125.1° |
| C15 | C13 | C12 | 106.8° | 104.1° |
| C15 | C13 | H8 | 109.0° | 110.5° |
| C13 | C15 | H9 | 109.5° | 110.5° |
| N26 | C27 | H12 | 124.8° | 125.0° |
| C13 | C12 | O28 | 101.3° | 104.9° |
| C13 | C12 | C11 | 112.7° | 110.4° |
| C13 | C12 | H7 | 109.3° | 110.4° |
| C12 | C13 | H8 | 109.1° | 110.5° |
| O28 | C12 | C11 | 112.5° | 110.4° |
| O28 | C12 | H7 | 111.7° | 110.3° |
| C12 | C11 | O10 | 108.4° | 109.4° |
| C12 | C11 | H5 | 109.7° | 109.4° |
| C12 | C11 | H6 | 109.7° | 109.4° |
| C11 | C12 | H7 | 109.0° | 110.4° |
| C11 | O10 | P08 | 120.1° | 123.0° |
| O10 | C11 | H5 | 109.7° | 109.5° |
| O10 | C11 | H6 | 109.7° | 109.5° |
| O10 | P08 | O29 | 102.6° | 109.4° |
| O10 | P08 | O09 | 107.1° | 109.5° |
| O10 | P08 | O07 | 97.9° | 109.5° |
| O30 | P06 | O07 | 111.7° | 109.5° |
| O30 | P06 | O31 | 120.7° | 109.5° |
| O30 | P06 | O05 | 103.4° | 109.5° |
| O29 | P08 | O09 | 119.3° | 109.5° |
| O29 | P08 | O07 | 111.2° | 109.5° |
| O09 | P08 | O07 | 115.4° | 109.5° |
| P08 | O09 | H82 | 109.5° | 114.0° |
| P08 | O07 | P06 | 127.1° | 134.0° |
| O07 | P06 | O31 | 109.7° | 109.5° |
| O07 | P06 | O05 | 103.8° | 109.4° |
| O31 | P06 | O05 | 105.7° | 109.5° |
| P06 | O31 | H85 | 109.5° | 114.0° |
| P06 | O05 | C04 | 118.8° | 123.0° |
| O05 | C04 | C03 | 109.0° | 109.4° |
| O05 | C04 | H3 | 109.6° | 109.5° |
| O05 | C04 | H4 | 109.6° | 109.5° |
| C04 | C03 | O32 | 112.7° | 110.3° |
| C04 | C03 | C02 | 109.5° | 110.4° |
| C04 | C03 | H2 | 109.5° | 110.5° |
| C03 | C04 | H3 | 109.6° | 109.4° |
| C03 | C04 | H4 | 109.6° | 109.5° |
| O32 | C03 | C02 | 104.2° | 104.8° |
| C03 | O32 | C33 | 107.6° | 105.2° |
| O32 | C03 | H2 | 111.4° | 110.4° |
| C03 | C02 | O01 | 117.8° | 110.5° |
| C03 | C02 | C35 | 101.8° | 104.1° |
| C03 | C02 | H1 | 108.9° | 110.6° |
| C02 | C03 | H2 | 109.4° | 110.4° |
| O32 | C33 | C35 | 111.9° | 104.8° |
| O32 | C33 | S34 | 110.3° | 110.4° |
| O32 | C33 | H13 | 111.9° | 110.5° |
| O01 | C02 | C35 | 107.0° | 110.6° |
| O01 | C02 | H1 | 111.5° | 110.5° |
| C02 | O01 | H81 | 109.5° | 114.0° |
| C02 | C35 | C33 | 96.9° | 104.0° |
| C02 | C35 | O36 | 106.6° | 110.5° |
| C35 | C02 | H1 | 109.2° | 110.4° |
| C02 | C35 | H14 | 109.5° | 110.6° |
| C74 | C73 | N72 | 110.8° | 109.5° |
| C74 | C73 | H62 | 109.1° | 109.4° |
| C74 | C73 | H63 | 109.1° | 109.5° |
| C73 | C74 | H64 | 109.5° | 109.5° |
| C73 | C74 | H65 | 109.5° | 109.4° |
| C73 | C74 | H66 | 109.4° | 109.5° |
| C35 | C33 | S34 | 106.8° | 110.4° |
| C33 | C35 | O36 | 122.8° | 110.5° |
| C35 | C33 | H13 | 109.1° | 110.3° |
| C33 | C35 | H14 | 109.0° | 110.6° |
| S34 | C33 | H13 | 106.6° | 110.3° |
| C33 | S34 | H86 | 102.0° | 103.0° |
| C35 | O36 | C37 | 121.6° | 117.0° |
| O36 | C35 | H14 | 110.6° | 110.6° |
| C73 | N72 | C71 | 108.5° | 109.5° |
| C73 | N72 | C77 | 108.8° | 109.5° |
| C73 | N72 | C75 | 108.5° | 109.5° |
| N72 | C73 | H62 | 109.2° | 109.4° |
| N72 | C73 | H63 | 109.2° | 109.5° |
| O36 | C37 | N51 | 116.7° | 120.0° |
| O36 | C37 | C38 | 125.0° | 120.0° |
| N69 | C70 | C71 | 111.7° | 109.5° |
| C70 | N69 | C68 | 122.1° | 120.0° |
| N69 | C70 | H58 | 108.9° | 109.5° |
| N69 | C70 | H59 | 108.9° | 109.5° |
| C70 | N69 | H80 | 118.9° | 120.0° |
| C70 | C71 | N72 | 114.3° | 109.5° |
| C71 | C70 | H58 | 108.9° | 109.4° |
| C71 | C70 | H59 | 108.9° | 109.5° |
| C70 | C71 | H60 | 108.2° | 109.4° |
| C70 | C71 | H61 | 108.3° | 109.4° |
| N69 | C68 | C56 | 121.5° | 120.0° |
| N69 | C68 | O79 | 119.8° | 120.0° |
| C68 | N69 | H80 | 118.9° | 120.0° |
| C71 | N72 | C77 | 110.9° | 109.5° |
| C71 | N72 | C75 | 108.2° | 109.5° |
| N72 | C71 | H60 | 108.2° | 109.5° |
| N72 | C71 | H61 | 108.2° | 109.5° |
| C48 | C47 | C46 | 117.3° | 109.4° |
| C47 | C48 | C49 | 118.4° | 109.4° |
| C48 | C47 | H33 | 107.5° | 109.5° |
| C48 | C47 | H34 | 107.5° | 109.5° |
| C47 | C48 | H35 | 107.2° | 109.5° |
| C47 | C48 | H36 | 107.2° | 109.5° |
| C47 | C46 | C45 | 116.5° | 109.4° |
| C47 | C46 | H31 | 107.7° | 109.5° |
| C47 | C46 | H32 | 107.7° | 109.4° |
| C46 | C47 | H33 | 107.5° | 109.5° |
| C46 | C47 | H34 | 107.5° | 109.4° |
| C48 | C49 | C50 | 112.8° | 109.4° |
| C49 | C48 | H35 | 107.2° | 109.5° |
| C49 | C48 | H36 | 107.2° | 109.5° |
| C48 | C49 | H37 | 108.6° | 109.4° |
| C48 | C49 | H38 | 108.6° | 109.5° |
| C77 | N72 | C75 | 111.8° | 109.4° |
| N72 | C77 | C78 | 112.6° | 109.5° |
| N72 | C77 | H72 | 108.7° | 109.4° |
| N72 | C77 | H73 | 108.7° | 109.5° |
| N72 | C75 | C76 | 113.6° | 109.4° |
| N72 | C75 | H67 | 108.4° | 109.4° |
| N72 | C75 | H68 | 108.4° | 109.5° |
| C53 | C52 | N51 | 112.8° | 109.4° |
| C52 | C53 | C54 | 114.7° | 109.5° |
| C53 | C52 | H42 | 108.6° | 109.5° |
| C53 | C52 | H43 | 108.6° | 109.4° |
| C52 | C53 | H44 | 108.2° | 109.5° |
| C52 | C53 | H45 | 108.1° | 109.5° |
| C52 | N51 | C37 | 121.5° | 120.0° |
| N51 | C52 | H42 | 108.6° | 109.5° |
| N51 | C52 | H43 | 108.6° | 109.5° |
| C53 | C54 | C55 | 113.7° | 109.5° |
| C54 | C53 | H44 | 108.2° | 109.5° |
| C54 | C53 | H45 | 108.2° | 109.4° |
| C53 | C54 | H46 | 108.4° | 109.5° |
| C53 | C54 | H47 | 108.4° | 109.4° |
| C54 | C55 | C56 | 114.9° | 109.4° |
| C55 | C54 | H46 | 108.4° | 109.5° |
| C55 | C54 | H47 | 108.4° | 109.5° |
| C54 | C55 | H48 | 108.1° | 109.4° |
| C54 | C55 | H49 | 108.1° | 109.5° |
| C78 | C77 | H72 | 108.7° | 109.5° |
| C78 | C77 | H73 | 108.7° | 109.5° |
| C77 | C78 | H74 | 109.5° | 109.5° |
| C77 | C78 | H75 | 109.5° | 109.5° |
| C77 | C78 | H76 | 109.5° | 109.4° |
| C46 | C45 | C44 | 116.2° | 109.5° |
| C46 | C45 | H29 | 107.8° | 109.5° |
| C46 | C45 | H30 | 107.8° | 109.5° |
| C45 | C46 | H31 | 107.7° | 109.5° |
| C45 | C46 | H32 | 107.7° | 109.5° |
| N51 | C37 | C38 | 118.3° | 120.0° |
| C37 | C38 | C39 | 115.4° | 109.4° |
| C37 | C38 | H15 | 108.0° | 109.5° |
| C37 | C38 | H16 | 108.0° | 109.5° |
| C56 | C68 | O79 | 118.7° | 120.0° |
| C68 | C56 | C55 | 111.1° | 109.4° |
| C68 | C56 | N57 | 108.8° | 109.4° |
| C68 | C56 | H50 | 109.0° | 109.4° |
| C55 | C56 | N57 | 108.5° | 109.4° |
| C56 | C55 | H48 | 108.1° | 109.5° |
| C56 | C55 | H49 | 108.1° | 109.5° |
| C55 | C56 | H50 | 109.2° | 109.5° |
| C56 | N57 | C58 | 122.9° | 120.0° |
| N57 | C56 | H50 | 110.3° | 109.5° |
| C56 | N57 | H79 | 118.6° | 120.0° |
| O67 | C58 | N57 | 119.5° | 120.0° |
| O67 | C58 | O59 | 116.9° | 120.0° |
| C50 | C49 | H37 | 108.6° | 109.5° |
| C50 | C49 | H38 | 108.6° | 109.5° |
| C49 | C50 | H39 | 109.5° | 109.4° |
| C49 | C50 | H40 | 109.5° | 109.5° |
| C49 | C50 | H41 | 109.5° | 109.5° |
| C76 | C75 | H67 | 108.4° | 109.5° |
| C76 | C75 | H68 | 108.4° | 109.5° |
| C75 | C76 | H69 | 109.5° | 109.5° |
| C75 | C76 | H70 | 109.5° | 109.5° |
| C75 | C76 | H71 | 109.5° | 109.5° |
| C38 | C39 | C40 | 113.4° | 109.4° |
| C39 | C38 | H15 | 108.0° | 109.5° |
| C39 | C38 | H16 | 108.0° | 109.5° |
| C38 | C39 | H17 | 108.5° | 109.4° |
| C38 | C39 | H18 | 108.5° | 109.5° |
| C39 | C40 | C41 | 117.0° | 109.4° |
| C40 | C39 | H17 | 108.5° | 109.5° |
| C40 | C39 | H18 | 108.5° | 109.5° |
| C39 | C40 | H19 | 107.6° | 109.4° |
| C39 | C40 | H20 | 107.5° | 109.5° |
| C40 | C41 | C42 | 115.2° | 109.4° |
| C41 | C40 | H19 | 107.6° | 109.5° |
| C41 | C40 | H20 | 107.6° | 109.5° |
| C40 | C41 | H21 | 108.0° | 109.4° |
| C40 | C41 | H22 | 108.0° | 109.5° |
| N57 | C58 | O59 | 123.7° | 120.0° |
| C58 | N57 | H79 | 118.6° | 120.0° |
| C58 | O59 | C60 | 122.6° | 117.0° |
| C45 | C44 | C43 | 116.4° | 109.5° |
| C45 | C44 | H27 | 107.7° | 109.4° |
| C45 | C44 | H28 | 107.7° | 109.4° |
| C44 | C45 | H29 | 107.8° | 109.4° |
| C44 | C45 | H30 | 107.8° | 109.4° |
| C41 | C42 | C43 | 116.9° | 109.4° |
| C42 | C41 | H21 | 108.0° | 109.5° |
| C42 | C41 | H22 | 108.0° | 109.5° |
| C41 | C42 | H23 | 107.6° | 109.5° |
| C41 | C42 | H24 | 107.6° | 109.5° |
| C42 | C43 | C44 | 114.7° | 109.5° |
| C43 | C42 | H23 | 107.6° | 109.5° |
| C43 | C42 | H24 | 107.6° | 109.5° |
| C42 | C43 | H25 | 108.1° | 109.5° |
| C42 | C43 | H26 | 108.1° | 109.5° |
| C44 | C43 | H25 | 108.1° | 109.4° |
| C44 | C43 | H26 | 108.2° | 109.5° |
| C43 | C44 | H27 | 107.7° | 109.5° |
| C43 | C44 | H28 | 107.7° | 109.5° |
| O59 | C60 | C61 | 112.2° | 109.5° |
| O59 | C60 | H51 | 108.8° | 109.5° |
| O59 | C60 | H52 | 108.8° | 109.4° |
| C60 | C61 | C62 | 120.3° | 120.0° |
| C60 | C61 | C66 | 122.6° | 119.9° |
| C61 | C60 | H51 | 108.8° | 109.5° |
| C61 | C60 | H52 | 108.8° | 109.5° |
| C62 | C61 | C66 | 117.2° | 120.0° |
| C61 | C62 | C63 | 121.0° | 120.0° |
| C61 | C62 | H53 | 119.5° | 120.0° |
| C61 | C66 | C65 | 122.7° | 119.9° |
| C61 | C66 | H57 | 118.7° | 120.1° |
| C62 | C63 | C64 | 120.5° | 120.0° |
| C63 | C62 | H53 | 119.5° | 120.0° |
| C62 | C63 | H54 | 119.7° | 120.0° |
| C66 | C65 | C64 | 118.9° | 120.0° |
| C66 | C65 | H56 | 120.6° | 120.0° |
| C65 | C66 | H57 | 118.7° | 120.0° |
| C63 | C64 | C65 | 119.8° | 120.0° |
| C64 | C63 | H54 | 119.7° | 120.0° |
| C63 | C64 | H55 | 120.1° | 120.0° |
| C65 | C64 | H55 | 120.1° | 120.0° |
| C64 | C65 | H56 | 120.6° | 119.9° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| 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° | 109.4° |
| H29 | C45 | H30 | 109.4° | 109.5° |
| H31 | C46 | H32 | 109.5° | 109.5° |
| 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 | 109.5° | 109.5° |
| H40 | C50 | H41 | 109.5° | 109.5° |
| H42 | C52 | H43 | 109.5° | 109.5° |
| H44 | C53 | H45 | 109.4° | 109.5° |
| H46 | C54 | H47 | 109.4° | 109.5° |
| H48 | C55 | H49 | 109.5° | 109.4° |
| 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° | 109.5° |
| H65 | C74 | H66 | 109.5° | 109.4° |
| H67 | C75 | H68 | 109.5° | 109.5° |
| H69 | C76 | H70 | 109.5° | 109.5° |
| H69 | C76 | H71 | 109.5° | 109.5° |
| H70 | C76 | H71 | 109.5° | 109.5° |
| H72 | C77 | H73 | 109.4° | 109.5° |
| H74 | C78 | H75 | 109.5° | 109.5° |
| H74 | C78 | H76 | 109.4° | 109.4° |
| H75 | C78 | H76 | 109.5° | 109.5° |
| H77 | N24 | H78 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C21 | N20 | H11 | 180.0° | 179.8° |
| N22 | C21 | N20 | C19 | 0.1° | 0.0° |
| C21 | N22 | C23 | N24 | 180.0° | 180.0° |
| C21 | N22 | C23 | C25 | 0.0° | 0.4° |
| N20 | C21 | N22 | C23 | 0.1° | 0.3° |
| C21 | N20 | C19 | C25 | 0.4° | 0.1° |
| C21 | N20 | C19 | N18 | 179.2° | 179.7° |
| N22 | C23 | N24 | C25 | 179.9° | 179.6° |
| N22 | C23 | C25 | C19 | 0.3° | 0.4° |
| N22 | C23 | C25 | N26 | 179.6° | 179.5° |
| C23 | N22 | C21 | H11 | 179.9° | 180.0° |
| N22 | C23 | N24 | H77 | 0.0° | 179.5° |
| N22 | C23 | N24 | H78 | 120.0° | 0.4° |
| N20 | C19 | C25 | C23 | 0.5° | 0.1° |
| N20 | C19 | C25 | N18 | 179.6° | 179.9° |
| N20 | C19 | C25 | N26 | 180.0° | 179.8° |
| N20 | C19 | N18 | C17 | 2.9° | 0.2° |
| N20 | C19 | N18 | C27 | 179.6° | 179.8° |
| C19 | N20 | C21 | H11 | 179.9° | 179.8° |
| N24 | C23 | C25 | C19 | 179.7° | 180.0° |
| N24 | C23 | C25 | N26 | 0.3° | 0.1° |
| C23 | N24 | H77 | H78 | 120.0° | 179.9° |
| C23 | C25 | C19 | N26 | 179.5° | 179.9° |
| C23 | C25 | C19 | N18 | 179.2° | 180.0° |
| C23 | C25 | N26 | C27 | 179.6° | 179.9° |
| C25 | C23 | N24 | H77 | 180.0° | 0.1° |
| C25 | C23 | N24 | H78 | 60.1° | 180.0° |
| C25 | C19 | N18 | C17 | 177.4° | 180.0° |
| C25 | C19 | N18 | C27 | 0.7° | 0.1° |
| C19 | C25 | N26 | C27 | 0.2° | 0.1° |
| N18 | C19 | C25 | N26 | 0.4° | 0.1° |
| C19 | N18 | C17 | C27 | 175.9° | 179.9° |
| C19 | N18 | C17 | C15 | 134.4° | 85.0° |
| C19 | N18 | C17 | O28 | 102.7° | 159.5° |
| C19 | N18 | C27 | N26 | 0.9° | 0.0° |
| C19 | N18 | C17 | H10 | 16.6° | 37.2° |
| C19 | N18 | C27 | H12 | 179.1° | 180.0° |
| O16 | C15 | C13 | O14 | 32.6° | 0.1° |
| O16 | C15 | C17 | N18 | 84.2° | 98.5° |
| O16 | C15 | C17 | C13 | 120.8° | 118.7° |
| O16 | C15 | C17 | H9 | 125.9° | 122.7° |
| O16 | C15 | C17 | O28 | 152.6° | 142.6° |
| O16 | C15 | C13 | H9 | 128.1° | 122.6° |
| O16 | C15 | C13 | C12 | 152.0° | 118.7° |
| O16 | C15 | C13 | H8 | 90.2° | 122.6° |
| O16 | C15 | C17 | H10 | 33.7° | 23.8° |
| C25 | N26 | C27 | N18 | 0.7° | 0.0° |
| C25 | N26 | C27 | H12 | 179.4° | 180.0° |
| O14 | C13 | C15 | C17 | 85.2° | 118.7° |
| O14 | C13 | C15 | C12 | 119.4° | 118.7° |
| O14 | C13 | C15 | H8 | 122.8° | 122.7° |
| O14 | C13 | C12 | H8 | 123.8° | 122.6° |
| O14 | C13 | C12 | O28 | 92.6° | 142.7° |
| O14 | C13 | C12 | C11 | 146.9° | 98.4° |
| O14 | C13 | C12 | H7 | 25.5° | 23.9° |
| O14 | C13 | C15 | H9 | 160.7° | 122.7° |
| N18 | C17 | C15 | O28 | 123.2° | 118.9° |
| N18 | C17 | C15 | H10 | 118.0° | 122.3° |
| N18 | C17 | O28 | H10 | 118.9° | 122.3° |
| N18 | C17 | C15 | C13 | 155.0° | 142.8° |
| C17 | N18 | C27 | N26 | 177.3° | 180.0° |
| N18 | C17 | O28 | C12 | 141.4° | 159.2° |
| N18 | C17 | C15 | H9 | 41.7° | 24.2° |
| C17 | N18 | C27 | H12 | 2.7° | 0.1° |
| C15 | C17 | O28 | H10 | 118.2° | 118.8° |
| C15 | C17 | N18 | C27 | 49.7° | 95.1° |
| C17 | C15 | C13 | H9 | 114.1° | 118.6° |
| C17 | C15 | C13 | C12 | 34.3° | 0.0° |
| C15 | C17 | O28 | C12 | 18.5° | 40.3° |
| C17 | C15 | C13 | H8 | 152.0° | 118.6° |
| C17 | C15 | O16 | H84 | 180.0° | 176.2° |
| O28 | C17 | N18 | C27 | 73.1° | 20.4° |
| O28 | C17 | C15 | C13 | 31.8° | 23.8° |
| C17 | O28 | C12 | C13 | 5.4° | 40.4° |
| C17 | O28 | C12 | C11 | 115.2° | 159.2° |
| C17 | O28 | C12 | H7 | 121.8° | 78.5° |
| O28 | C17 | C15 | H9 | 81.5° | 94.8° |
| N18 | C27 | N26 | H12 | 180.0° | 180.0° |
| C27 | N18 | C17 | H10 | 167.5° | 142.7° |
| C15 | C13 | C12 | H8 | 117.7° | 118.7° |
| C15 | C13 | C12 | O28 | 25.9° | 24.0° |
| C15 | C13 | C12 | C11 | 94.6° | 142.8° |
| C15 | C13 | C12 | H7 | 144.0° | 94.9° |
| C13 | C15 | C17 | H10 | 87.1° | 94.9° |
| C15 | C13 | O14 | H83 | 180.0° | 65.3° |
| C13 | C15 | O16 | H84 | 71.7° | 61.4° |
| C13 | C12 | O28 | C11 | 120.6° | 118.9° |
| C13 | C12 | O28 | H7 | 116.3° | 118.9° |
| C13 | C12 | C11 | H7 | 121.6° | 122.3° |
| C13 | C12 | C11 | O10 | 53.2° | 176.6° |
| C13 | C12 | C11 | H5 | 66.7° | 56.6° |
| C13 | C12 | C11 | H6 | 173.0° | 63.4° |
| C12 | C13 | C15 | H9 | 79.9° | 118.6° |
| C12 | C13 | O14 | H83 | 62.9° | 180.0° |
| O28 | C12 | C11 | H7 | 124.6° | 122.2° |
| O28 | C12 | C11 | O10 | 167.0° | 68.0° |
| O28 | C12 | C11 | H5 | 47.1° | 172.1° |
| O28 | C12 | C11 | H6 | 73.2° | 52.1° |
| O28 | C12 | C13 | H8 | 143.6° | 94.7° |
| C12 | O28 | C17 | H10 | 99.7° | 78.5° |
| C12 | C11 | O10 | H5 | 119.8° | 120.0° |
| C12 | C11 | O10 | H6 | 119.8° | 120.0° |
| C12 | C11 | O10 | P08 | 178.1° | 180.0° |
| C12 | C11 | H5 | H6 | 120.4° | 120.0° |
| C11 | C12 | C13 | H8 | 23.1° | 24.1° |
| C11 | O10 | P08 | O29 | 166.2° | 55.0° |
| C11 | O10 | P08 | O09 | 67.5° | 65.0° |
| C11 | O10 | P08 | O07 | 52.3° | 175.0° |
| O10 | C11 | H5 | H6 | 120.5° | 120.1° |
| O10 | C11 | C12 | H7 | 68.4° | 54.3° |
| O10 | P08 | O29 | O09 | 118.1° | 120.0° |
| O10 | P08 | O29 | O07 | 103.7° | 120.0° |
| O10 | P08 | O09 | O07 | 107.8° | 120.0° |
| O10 | P08 | O07 | P06 | 85.1° | 165.0° |
| P08 | O10 | C11 | H5 | 58.2° | 60.1° |
| P08 | O10 | C11 | H6 | 62.1° | 60.0° |
| O10 | P08 | O09 | H82 | 115.7° | 59.9° |
| O30 | P06 | O07 | P08 | 41.8° | 45.0° |
| O30 | P06 | O07 | O31 | 136.6° | 120.0° |
| O30 | P06 | O07 | O05 | 110.8° | 120.0° |
| O30 | P06 | O31 | O05 | 116.5° | 120.0° |
| O30 | P06 | O05 | C04 | 77.8° | 55.0° |
| O30 | P06 | O31 | H85 | 0.0° | 180.0° |
| O29 | P08 | O09 | O07 | 136.5° | 120.0° |
| O29 | P08 | O07 | P06 | 21.7° | 45.0° |
| O29 | P08 | O09 | H82 | 0.0° | 179.9° |
| O09 | P08 | O07 | P06 | 161.7° | 75.0° |
| P08 | O07 | P06 | O31 | 178.4° | 75.0° |
| P08 | O07 | P06 | O05 | 69.0° | 165.0° |
| O07 | P08 | O09 | H82 | 136.6° | 60.1° |
| O07 | P06 | O31 | O05 | 111.4° | 120.0° |
| O07 | P06 | O05 | C04 | 165.4° | 175.0° |
| O07 | P06 | O31 | H85 | 132.0° | 60.0° |
| O31 | P06 | O05 | C04 | 49.9° | 65.0° |
| P06 | O05 | C04 | C03 | 142.6° | 180.0° |
| P06 | O05 | C04 | H3 | 22.7° | 60.1° |
| P06 | O05 | C04 | H4 | 97.4° | 60.0° |
| O05 | P06 | O31 | H85 | 116.6° | 60.0° |
| O05 | C04 | C03 | H3 | 119.9° | 119.9° |
| O05 | C04 | C03 | H4 | 120.0° | 120.1° |
| O05 | C04 | C03 | O32 | 45.8° | 66.5° |
| O05 | C04 | C03 | C02 | 69.7° | 178.2° |
| O05 | C04 | C03 | H2 | 170.3° | 55.8° |
| O05 | C04 | H3 | H4 | 120.2° | 120.1° |
| C04 | C03 | O32 | C02 | 118.7° | 118.8° |
| C04 | C03 | O32 | H2 | 123.5° | 122.4° |
| C04 | C03 | C02 | H2 | 120.0° | 122.4° |
| C04 | C03 | O32 | C33 | 146.0° | 159.3° |
| C04 | C03 | C02 | O01 | 80.8° | 98.6° |
| C04 | C03 | C02 | C35 | 162.6° | 142.7° |
| C04 | C03 | C02 | H1 | 47.5° | 24.1° |
| C03 | C04 | H3 | H4 | 120.2° | 120.0° |
| O32 | C03 | C02 | H2 | 119.2° | 118.9° |
| O32 | C03 | C02 | O01 | 158.4° | 142.7° |
| O32 | C03 | C02 | C35 | 41.8° | 23.9° |
| C03 | O32 | C33 | C35 | 2.7° | 40.6° |
| C03 | O32 | C33 | S34 | 116.0° | 78.3° |
| O32 | C03 | C02 | H1 | 73.3° | 94.7° |
| O32 | C03 | C04 | H3 | 165.7° | 173.6° |
| O32 | C03 | C04 | H4 | 74.2° | 53.6° |
| C03 | O32 | C33 | H13 | 125.6° | 159.4° |
| C02 | C03 | O32 | C33 | 27.3° | 40.5° |
| C03 | C02 | O01 | C35 | 113.7° | 114.7° |
| C03 | C02 | O01 | H1 | 127.0° | 122.8° |
| C03 | C02 | C35 | H1 | 114.9° | 118.8° |
| C03 | C02 | C35 | C33 | 36.5° | 0.1° |
| C03 | C02 | C35 | O36 | 90.8° | 118.6° |
| C02 | C03 | C04 | H3 | 50.2° | 58.2° |
| C02 | C03 | C04 | H4 | 170.3° | 61.8° |
| C03 | C02 | C35 | H14 | 149.6° | 118.6° |
| C03 | C02 | O01 | H81 | 180.0° | 65.4° |
| O32 | C33 | C35 | C02 | 22.9° | 24.1° |
| O32 | C33 | C35 | S34 | 120.8° | 118.9° |
| O32 | C33 | C35 | H13 | 124.4° | 118.9° |
| O32 | C33 | S34 | H13 | 121.7° | 122.4° |
| O32 | C33 | C35 | O36 | 92.0° | 142.6° |
| C33 | O32 | C03 | H2 | 90.5° | 78.3° |
| O32 | C33 | C35 | H14 | 136.4° | 94.6° |
| O32 | C33 | S34 | H86 | 180.0° | 64.6° |
| O01 | C02 | C35 | H1 | 120.8° | 122.5° |
| O01 | C02 | C35 | C33 | 160.7° | 118.6° |
| O01 | C02 | C35 | O36 | 33.4° | 0.1° |
| O01 | C02 | C03 | H2 | 39.2° | 23.8° |
| O01 | C02 | C35 | H14 | 86.2° | 122.7° |
| C02 | C35 | C33 | O36 | 114.9° | 118.6° |
| C02 | C35 | C33 | H14 | 113.5° | 118.7° |
| C02 | C35 | C33 | S34 | 143.7° | 94.8° |
| C02 | C35 | O36 | H14 | 119.0° | 122.7° |
| C02 | C35 | O36 | C37 | 177.1° | 81.7° |
| C35 | C02 | C03 | H2 | 77.4° | 94.9° |
| C02 | C35 | C33 | H13 | 101.5° | 143.0° |
| C35 | C02 | O01 | H81 | 66.3° | 179.9° |
| C74 | C73 | N72 | H62 | 120.2° | 120.0° |
| C74 | C73 | N72 | H63 | 120.2° | 120.1° |
| C74 | C73 | N72 | C71 | 46.7° | 60.1° |
| C74 | C73 | N72 | C77 | 74.1° | 60.0° |
| C74 | C73 | N72 | C75 | 164.0° | 179.9° |
| C74 | C73 | H62 | H63 | 119.4° | 120.0° |
| C73 | C74 | H64 | H65 | 120.0° | 120.0° |
| C73 | C74 | H64 | H66 | 120.0° | 120.1° |
| C73 | C74 | H65 | H66 | 120.0° | 120.0° |
| C35 | C33 | S34 | H13 | 116.5° | 122.2° |
| C33 | C35 | O36 | H14 | 131.0° | 122.7° |
| C33 | C35 | O36 | C37 | 67.1° | 163.8° |
| C33 | C35 | C02 | H1 | 78.4° | 118.8° |
| C35 | C33 | S34 | H86 | 58.3° | 180.0° |
| S34 | C33 | C35 | O36 | 28.8° | 23.7° |
| S34 | C33 | C35 | H14 | 102.9° | 146.5° |
| C35 | O36 | C37 | N51 | 124.1° | 73.3° |
| C35 | O36 | C37 | C38 | 53.5° | 106.7° |
| O36 | C35 | C02 | H1 | 154.3° | 122.6° |
| O36 | C35 | C33 | H13 | 143.6° | 98.4° |
| C73 | N72 | C71 | C70 | 70.5° | 60.0° |
| C73 | N72 | C71 | C77 | 119.4° | 120.0° |
| C73 | N72 | C71 | C75 | 117.5° | 120.0° |
| C73 | N72 | C77 | C75 | 119.8° | 120.0° |
| C73 | N72 | C77 | C78 | 48.5° | 60.0° |
| C73 | N72 | C75 | C76 | 166.8° | 180.0° |
| C73 | N72 | C71 | H60 | 168.8° | 180.0° |
| C73 | N72 | C71 | H61 | 50.2° | 60.0° |
| N72 | C73 | H62 | H63 | 119.4° | 120.0° |
| N72 | C73 | C74 | H64 | 180.0° | 59.9° |
| N72 | C73 | C74 | H65 | 60.0° | 60.1° |
| N72 | C73 | C74 | H66 | 60.0° | 180.0° |
| C73 | N72 | C75 | H67 | 46.2° | 60.0° |
| C73 | N72 | C75 | H68 | 72.6° | 60.0° |
| C73 | N72 | C77 | H72 | 169.0° | 60.0° |
| C73 | N72 | C77 | H73 | 72.0° | 180.0° |
| O36 | C37 | N51 | C52 | 1.7° | 6.7° |
| O36 | C37 | N51 | C38 | 177.7° | 180.0° |
| O36 | C37 | C38 | C39 | 72.5° | 180.0° |
| C37 | O36 | C35 | H14 | 63.9° | 41.0° |
| O36 | C37 | C38 | H15 | 166.6° | 60.0° |
| O36 | C37 | C38 | H16 | 48.4° | 60.0° |
| N69 | C70 | C71 | H58 | 120.3° | 120.0° |
| N69 | C70 | C71 | H59 | 120.3° | 120.1° |
| C70 | N69 | C68 | H80 | 180.0° | 180.0° |
| N69 | C70 | C71 | N72 | 158.0° | 180.0° |
| C70 | N69 | C68 | C56 | 178.4° | 180.0° |
| C70 | N69 | C68 | O79 | 0.7° | 0.0° |
| N69 | C70 | H58 | H59 | 118.9° | 120.0° |
| N69 | C70 | C71 | H60 | 37.3° | 60.0° |
| N69 | C70 | C71 | H61 | 81.3° | 60.0° |
| C71 | C70 | N69 | C68 | 95.4° | 180.0° |
| C70 | C71 | N72 | H60 | 120.7° | 120.0° |
| C70 | C71 | N72 | H61 | 120.7° | 120.0° |
| C70 | C71 | N72 | C77 | 170.0° | 180.0° |
| C70 | C71 | N72 | C75 | 47.0° | 60.0° |
| C71 | C70 | H58 | H59 | 119.0° | 120.0° |
| C70 | C71 | H60 | H61 | 117.8° | 120.0° |
| C71 | C70 | N69 | H80 | 84.7° | 0.0° |
| N69 | C68 | C56 | O79 | 179.1° | 180.0° |
| N69 | C68 | C56 | C55 | 122.0° | 60.1° |
| N69 | C68 | C56 | N57 | 118.7° | 180.0° |
| N69 | C68 | C56 | H50 | 1.6° | 60.0° |
| C68 | N69 | C70 | H58 | 144.3° | 60.0° |
| C68 | N69 | C70 | H59 | 25.0° | 60.0° |
| C71 | N72 | C77 | C75 | 120.9° | 120.0° |
| C71 | N72 | C77 | C78 | 167.7° | 180.0° |
| C71 | N72 | C75 | C76 | 75.7° | 60.0° |
| N72 | C71 | C70 | H58 | 81.7° | 60.0° |
| N72 | C71 | C70 | H59 | 37.7° | 60.0° |
| N72 | C71 | H60 | H61 | 117.8° | 120.0° |
| C71 | N72 | C73 | H62 | 166.9° | 180.0° |
| C71 | N72 | C73 | H63 | 73.5° | 60.1° |
| C71 | N72 | C75 | H67 | 163.7° | 60.0° |
| C71 | N72 | C75 | H68 | 44.9° | 180.0° |
| C71 | N72 | C77 | H72 | 71.8° | 60.0° |
| C71 | N72 | C77 | H73 | 47.3° | 60.0° |
| C48 | C47 | C46 | H33 | 121.1° | 120.0° |
| C48 | C47 | C46 | H34 | 121.1° | 119.9° |
| C47 | C48 | C49 | H35 | 121.3° | 120.0° |
| C47 | C48 | C49 | H36 | 121.3° | 120.0° |
| C48 | C47 | C46 | C45 | 79.3° | 180.0° |
| C47 | C48 | C49 | C50 | 126.4° | 180.0° |
| C48 | C47 | C46 | H31 | 159.7° | 60.0° |
| C48 | C47 | C46 | H32 | 41.7° | 60.1° |
| C48 | C47 | H33 | H34 | 116.4° | 120.0° |
| C47 | C48 | H35 | H36 | 116.0° | 120.0° |
| C47 | C48 | C49 | H37 | 113.2° | 60.0° |
| C47 | C48 | C49 | H38 | 5.9° | 60.0° |
| C46 | C47 | C48 | C49 | 73.3° | 180.0° |
| C47 | C46 | C45 | H31 | 121.0° | 120.0° |
| C47 | C46 | C45 | H32 | 121.0° | 119.9° |
| C47 | C46 | C45 | C44 | 142.9° | 180.0° |
| C47 | C46 | C45 | H29 | 96.1° | 60.0° |
| C47 | C46 | C45 | H30 | 21.9° | 60.1° |
| C47 | C46 | H31 | H32 | 116.8° | 120.0° |
| C46 | C47 | H33 | H34 | 116.5° | 120.0° |
| C46 | C47 | C48 | H35 | 48.0° | 60.0° |
| C46 | C47 | C48 | H36 | 165.4° | 60.1° |
| C48 | C49 | C50 | H37 | 120.5° | 119.9° |
| C48 | C49 | C50 | H38 | 120.5° | 120.0° |
| C49 | C48 | C47 | H33 | 47.8° | 60.0° |
| C49 | C48 | C47 | H34 | 165.5° | 60.0° |
| C49 | C48 | H35 | H36 | 115.9° | 120.0° |
| C48 | C49 | H37 | H38 | 118.5° | 120.0° |
| C48 | C49 | C50 | H39 | 180.0° | 180.0° |
| C48 | C49 | C50 | H40 | 60.0° | 60.1° |
| C48 | C49 | C50 | H41 | 60.0° | 60.0° |
| N72 | C77 | C78 | H72 | 120.5° | 120.0° |
| N72 | C77 | C78 | H73 | 120.5° | 120.0° |
| C77 | N72 | C75 | C76 | 46.8° | 60.0° |
| C77 | N72 | C71 | H60 | 49.3° | 60.0° |
| C77 | N72 | C71 | H61 | 69.3° | 60.0° |
| C77 | N72 | C73 | H62 | 46.1° | 60.0° |
| C77 | N72 | C73 | H63 | 165.7° | 179.9° |
| C77 | N72 | C75 | H67 | 73.8° | 180.0° |
| C77 | N72 | C75 | H68 | 167.4° | 60.0° |
| N72 | C77 | H72 | H73 | 118.5° | 120.0° |
| N72 | C77 | C78 | H74 | 180.0° | 60.0° |
| N72 | C77 | C78 | H75 | 60.0° | 60.0° |
| N72 | C77 | C78 | H76 | 60.0° | 180.0° |
| C75 | N72 | C77 | C78 | 71.3° | 60.0° |
| N72 | C75 | C76 | H67 | 120.6° | 120.0° |
| N72 | C75 | C76 | H68 | 120.6° | 120.0° |
| C75 | N72 | C71 | H60 | 73.7° | 60.0° |
| C75 | N72 | C71 | H61 | 167.7° | 180.0° |
| C75 | N72 | C73 | H62 | 75.8° | 60.0° |
| C75 | N72 | C73 | H63 | 43.8° | 60.0° |
| N72 | C75 | H67 | H68 | 118.1° | 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 | 49.2° | 180.0° |
| C75 | N72 | C77 | H73 | 168.2° | 60.1° |
| C53 | C52 | N51 | H42 | 120.5° | 120.0° |
| C53 | C52 | N51 | H43 | 120.5° | 119.9° |
| C52 | C53 | C54 | H44 | 120.8° | 120.0° |
| C52 | C53 | C54 | H45 | 120.8° | 120.0° |
| C52 | C53 | C54 | C55 | 131.6° | 180.0° |
| C53 | C52 | N51 | C37 | 174.8° | 135.2° |
| C53 | C52 | H42 | H43 | 118.4° | 120.0° |
| C52 | C53 | H44 | H45 | 117.6° | 120.0° |
| C52 | C53 | C54 | H46 | 11.0° | 60.0° |
| C52 | C53 | C54 | H47 | 107.8° | 60.0° |
| N51 | C52 | C53 | C54 | 171.8° | 180.0° |
| C52 | N51 | C37 | C38 | 179.4° | 173.3° |
| N51 | C52 | H42 | H43 | 118.5° | 120.0° |
| N51 | C52 | C53 | H44 | 67.5° | 60.0° |
| N51 | C52 | C53 | H45 | 51.0° | 60.0° |
| C53 | C54 | C55 | H46 | 120.6° | 120.0° |
| C53 | C54 | C55 | H47 | 120.7° | 120.0° |
| C53 | C54 | C55 | C56 | 153.5° | 180.0° |
| C54 | C53 | C52 | H42 | 67.7° | 60.0° |
| C54 | C53 | C52 | H43 | 51.3° | 60.0° |
| C54 | C53 | H44 | H45 | 117.6° | 120.0° |
| C53 | C54 | H46 | H47 | 118.1° | 120.0° |
| C53 | C54 | C55 | H48 | 32.8° | 60.0° |
| C53 | C54 | C55 | H49 | 85.6° | 60.0° |
| C54 | C55 | C56 | C68 | 60.5° | 175.0° |
| C54 | C55 | C56 | H48 | 120.8° | 119.9° |
| C54 | C55 | C56 | H49 | 120.8° | 120.0° |
| C54 | C55 | C56 | N57 | 179.9° | 65.1° |
| C55 | C54 | C53 | H44 | 107.6° | 60.0° |
| C55 | C54 | C53 | H45 | 10.8° | 60.0° |
| C55 | C54 | H46 | H47 | 118.0° | 120.0° |
| C54 | C55 | H48 | H49 | 117.5° | 120.0° |
| C54 | C55 | C56 | H50 | 59.7° | 55.0° |
| C78 | C77 | H72 | H73 | 118.6° | 120.0° |
| C77 | C78 | H74 | H75 | 120.0° | 120.0° |
| C77 | C78 | H74 | H76 | 120.0° | 119.9° |
| C77 | C78 | H75 | H76 | 120.0° | 120.0° |
| C46 | C45 | C44 | H29 | 121.0° | 120.1° |
| C46 | C45 | C44 | H30 | 121.0° | 120.0° |
| C46 | C45 | C44 | C43 | 117.9° | 180.0° |
| C46 | C45 | C44 | H27 | 3.1° | 59.9° |
| C46 | C45 | C44 | H28 | 121.1° | 60.0° |
| C46 | C45 | H29 | H30 | 116.9° | 120.1° |
| C45 | C46 | H31 | H32 | 116.8° | 120.0° |
| C45 | C46 | C47 | H33 | 41.8° | 60.0° |
| C45 | C46 | C47 | H34 | 159.5° | 60.1° |
| N51 | C37 | C38 | C39 | 110.0° | 0.0° |
| N51 | C37 | C38 | H15 | 10.8° | 120.0° |
| N51 | C37 | C38 | H16 | 129.1° | 120.0° |
| C37 | N51 | C52 | H42 | 54.3° | 15.2° |
| C37 | N51 | C52 | H43 | 64.7° | 104.8° |
| C37 | C38 | C39 | H15 | 120.9° | 120.0° |
| C37 | C38 | C39 | H16 | 120.9° | 120.0° |
| C37 | C38 | C39 | C40 | 129.0° | 180.0° |
| C37 | C38 | H15 | H16 | 117.3° | 120.0° |
| C37 | C38 | C39 | H17 | 8.4° | 60.0° |
| C37 | C38 | C39 | H18 | 110.4° | 60.0° |
| C68 | C56 | C55 | N57 | 119.6° | 119.9° |
| C68 | C56 | C55 | H50 | 120.2° | 120.0° |
| C68 | C56 | N57 | H50 | 119.5° | 120.0° |
| C68 | C56 | N57 | C58 | 45.5° | 85.0° |
| C68 | C56 | C55 | H48 | 60.2° | 55.1° |
| C68 | C56 | C55 | H49 | 178.7° | 64.9° |
| C68 | C56 | N57 | H79 | 134.4° | 95.0° |
| C56 | C68 | N69 | H80 | 1.6° | 0.0° |
| O79 | C68 | C56 | C55 | 58.9° | 120.0° |
| O79 | C68 | C56 | N57 | 60.5° | 0.1° |
| O79 | C68 | C56 | H50 | 179.2° | 120.0° |
| O79 | C68 | N69 | H80 | 179.2° | 180.0° |
| C55 | C56 | N57 | H50 | 119.5° | 120.1° |
| C55 | C56 | N57 | C58 | 166.6° | 155.0° |
| C56 | C55 | C54 | H46 | 85.8° | 60.0° |
| C56 | C55 | C54 | H47 | 32.9° | 60.0° |
| C56 | C55 | H48 | H49 | 117.6° | 120.1° |
| C55 | C56 | N57 | H79 | 13.4° | 24.9° |
| C56 | N57 | C58 | O67 | 22.1° | 0.1° |
| C56 | N57 | C58 | H79 | 180.0° | 180.0° |
| C56 | N57 | C58 | O59 | 158.0° | 180.0° |
| N57 | C56 | C55 | H48 | 59.3° | 175.0° |
| N57 | C56 | C55 | H49 | 59.1° | 55.0° |
| O67 | C58 | N57 | O59 | 179.9° | 179.9° |
| O67 | C58 | O59 | C60 | 10.1° | 0.1° |
| O67 | C58 | N57 | H79 | 157.9° | 180.0° |
| C50 | C49 | C48 | H35 | 5.1° | 60.0° |
| C50 | C49 | C48 | H36 | 112.3° | 60.0° |
| C50 | C49 | H37 | H38 | 118.5° | 120.0° |
| C49 | C50 | H39 | H40 | 120.0° | 120.0° |
| C49 | C50 | H39 | H41 | 120.0° | 119.9° |
| C49 | C50 | H40 | H41 | 120.0° | 120.0° |
| C76 | C75 | H67 | H68 | 118.1° | 120.0° |
| C75 | C76 | H69 | H70 | 120.0° | 120.0° |
| C75 | C76 | H69 | H71 | 120.0° | 120.0° |
| C75 | C76 | H70 | H71 | 120.0° | 120.0° |
| C38 | C39 | C40 | H17 | 120.6° | 119.9° |
| C38 | C39 | C40 | H18 | 120.6° | 120.0° |
| C38 | C39 | C40 | C41 | 97.9° | 180.0° |
| C39 | C38 | H15 | H16 | 117.3° | 120.0° |
| C38 | C39 | H17 | H18 | 118.2° | 120.0° |
| C38 | C39 | C40 | H19 | 23.2° | 60.0° |
| C38 | C39 | C40 | H20 | 141.0° | 60.0° |
| C39 | C40 | C41 | H19 | 121.1° | 120.0° |
| C39 | C40 | C41 | H20 | 121.1° | 120.0° |
| C39 | C40 | C41 | C42 | 156.3° | 180.0° |
| C40 | C39 | C38 | H15 | 110.1° | 60.0° |
| C40 | C39 | C38 | H16 | 8.2° | 60.0° |
| C40 | C39 | H17 | H18 | 118.2° | 120.1° |
| C39 | C40 | H19 | H20 | 116.6° | 120.0° |
| C39 | C40 | C41 | H21 | 82.9° | 60.1° |
| C39 | C40 | C41 | H22 | 35.4° | 60.0° |
| C40 | C41 | C42 | H21 | 120.8° | 119.9° |
| C40 | C41 | C42 | H22 | 120.8° | 120.0° |
| C40 | C41 | C42 | C43 | 142.8° | 180.0° |
| C41 | C40 | C39 | H17 | 141.5° | 60.1° |
| C41 | C40 | C39 | H18 | 22.7° | 60.0° |
| C41 | C40 | H19 | H20 | 116.6° | 120.0° |
| C40 | C41 | H21 | H22 | 117.3° | 120.0° |
| C40 | C41 | C42 | H23 | 96.1° | 60.0° |
| C40 | C41 | C42 | H24 | 21.7° | 60.0° |
| N57 | C58 | O59 | C60 | 169.8° | 180.0° |
| C58 | N57 | C56 | H50 | 73.9° | 34.9° |
| C58 | O59 | C60 | C61 | 174.9° | 179.9° |
| C58 | O59 | C60 | H51 | 64.7° | 60.0° |
| C58 | O59 | C60 | H52 | 54.5° | 60.0° |
| O59 | C58 | N57 | H79 | 22.0° | 0.0° |
| C45 | C44 | C43 | C42 | 87.8° | 180.0° |
| C45 | C44 | C43 | H27 | 121.0° | 120.0° |
| C45 | C44 | C43 | H28 | 121.0° | 120.0° |
| C45 | C44 | C43 | H25 | 32.9° | 60.0° |
| C45 | C44 | C43 | H26 | 151.4° | 59.9° |
| C45 | C44 | H27 | H28 | 116.9° | 119.9° |
| C44 | C45 | H29 | H30 | 117.0° | 119.9° |
| C44 | C45 | C46 | H31 | 21.9° | 60.0° |
| C44 | C45 | C46 | H32 | 96.1° | 60.0° |
| C41 | C42 | C43 | H23 | 121.1° | 120.0° |
| C41 | C42 | C43 | H24 | 121.1° | 120.0° |
| C41 | C42 | C43 | C44 | 151.1° | 180.0° |
| C42 | C41 | C40 | H19 | 35.2° | 60.0° |
| C42 | C41 | C40 | H20 | 82.7° | 60.0° |
| C42 | C41 | H21 | H22 | 117.4° | 120.0° |
| C41 | C42 | H23 | H24 | 116.6° | 120.0° |
| C41 | C42 | C43 | H25 | 30.3° | 60.0° |
| C41 | C42 | C43 | H26 | 88.1° | 60.0° |
| C42 | C43 | C44 | H25 | 120.7° | 120.0° |
| C42 | C43 | C44 | H26 | 120.8° | 120.1° |
| C43 | C42 | C41 | H21 | 21.9° | 60.1° |
| C43 | C42 | C41 | H22 | 96.4° | 60.0° |
| C43 | C42 | H23 | H24 | 116.6° | 120.0° |
| C42 | C43 | H25 | H26 | 117.6° | 120.0° |
| C42 | C43 | C44 | H27 | 33.2° | 60.0° |
| C42 | C43 | C44 | H28 | 151.1° | 60.0° |
| C44 | C43 | C42 | H23 | 87.8° | 60.0° |
| C44 | C43 | C42 | H24 | 30.0° | 60.0° |
| C44 | C43 | H25 | H26 | 117.6° | 120.0° |
| C43 | C44 | H27 | H28 | 116.8° | 120.1° |
| C43 | C44 | C45 | H29 | 121.1° | 60.0° |
| C43 | C44 | C45 | H30 | 3.1° | 60.0° |
| O59 | C60 | C61 | H51 | 120.4° | 120.0° |
| O59 | C60 | C61 | H52 | 120.4° | 120.0° |
| O59 | C60 | C61 | C62 | 154.1° | 90.0° |
| O59 | C60 | C61 | C66 | 26.1° | 90.3° |
| O59 | C60 | H51 | H52 | 118.7° | 120.0° |
| C60 | C61 | C62 | C66 | 179.8° | 179.7° |
| C60 | C61 | C62 | C63 | 179.8° | 180.0° |
| C60 | C61 | C66 | C65 | 179.8° | 179.8° |
| C61 | C60 | H51 | H52 | 118.8° | 120.0° |
| C60 | C61 | C62 | H53 | 0.2° | 0.1° |
| C60 | C61 | C66 | H57 | 0.2° | 0.1° |
| C61 | C62 | C63 | H53 | 180.0° | 179.9° |
| C62 | C61 | C66 | C65 | 0.5° | 0.5° |
| C61 | C62 | C63 | C64 | 0.4° | 0.1° |
| C62 | C61 | C60 | H51 | 33.7° | 150.0° |
| C62 | C61 | C60 | H52 | 85.5° | 29.9° |
| C61 | C62 | C63 | H54 | 179.7° | 179.9° |
| C62 | C61 | C66 | H57 | 179.5° | 179.7° |
| C66 | C61 | C62 | C63 | 0.4° | 0.3° |
| C61 | C66 | C65 | H57 | 180.0° | 179.8° |
| C61 | C66 | C65 | C64 | 0.4° | 0.5° |
| C66 | C61 | C60 | H51 | 146.5° | 29.8° |
| C66 | C61 | C60 | H52 | 94.3° | 149.8° |
| C66 | C61 | C62 | H53 | 179.6° | 179.8° |
| C61 | C66 | C65 | H56 | 179.6° | 179.8° |
| C62 | C63 | C64 | H54 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.3° | 0.1° |
| C62 | C63 | C64 | H55 | 179.7° | 180.0° |
| C66 | C65 | C64 | C63 | 0.3° | 0.3° |
| C66 | C65 | C64 | H56 | 180.0° | 179.7° |
| C66 | C65 | C64 | H55 | 179.7° | 179.8° |
| C63 | C64 | C65 | H55 | 180.0° | 179.9° |
| C64 | C63 | C62 | H53 | 179.7° | 180.0° |
| C63 | C64 | C65 | H56 | 179.7° | 180.0° |
| C65 | C64 | C63 | H54 | 179.7° | 179.9° |
| C64 | C65 | C66 | H57 | 179.6° | 179.7° |
| H1 | C02 | C03 | H2 | 167.4° | 146.5° |
| H1 | C02 | C35 | H14 | 34.6° | 0.1° |
| H1 | C02 | O01 | H81 | 53.0° | 57.4° |
| H2 | C03 | C04 | H3 | 69.8° | 64.1° |
| H2 | C03 | C04 | H4 | 50.4° | 175.9° |
| H5 | C11 | C12 | H7 | 171.7° | 65.7° |
| H6 | C11 | C12 | H7 | 51.4° | 174.3° |
| H7 | C12 | C13 | H8 | 98.3° | 146.4° |
| H8 | C13 | C15 | H9 | 37.9° | 0.0° |
| H8 | C13 | O14 | H83 | 59.1° | 57.5° |
| H9 | C15 | C17 | H10 | 159.7° | 146.5° |
| H9 | C15 | O16 | H84 | 55.0° | 61.2° |
| H13 | C33 | C35 | H14 | 12.0° | 24.3° |
| H13 | C33 | S34 | H86 | 58.3° | 57.8° |
| H15 | C38 | C39 | H17 | 129.3° | 180.0° |
| H15 | C38 | C39 | H18 | 10.5° | 60.0° |
| H16 | C38 | C39 | H17 | 112.4° | 59.9° |
| H16 | C38 | C39 | H18 | 128.8° | 180.0° |
| H17 | C39 | C40 | H19 | 97.4° | 180.0° |
| H17 | C39 | C40 | H20 | 20.4° | 59.9° |
| H18 | C39 | C40 | H19 | 143.8° | 60.0° |
| H18 | C39 | C40 | H20 | 98.4° | 180.0° |
| H19 | C40 | C41 | H21 | 156.0° | 180.0° |
| H19 | C40 | C41 | H22 | 85.7° | 59.9° |
| H20 | C40 | C41 | H21 | 38.2° | 60.0° |
| H20 | C40 | C41 | H22 | 156.5° | 180.0° |
| H21 | C41 | C42 | H23 | 143.0° | 180.0° |
| H21 | C41 | C42 | H24 | 99.1° | 59.9° |
| H22 | C41 | C42 | H23 | 24.7° | 59.9° |
| H22 | C41 | C42 | H24 | 142.5° | 180.0° |
| H23 | C42 | C43 | H25 | 151.4° | 180.0° |
| H23 | C42 | C43 | H26 | 33.0° | 60.0° |
| H24 | C42 | C43 | H25 | 90.7° | 60.0° |
| H24 | C42 | C43 | H26 | 150.8° | 179.9° |
| H25 | C43 | C44 | H27 | 153.9° | 180.0° |
| H25 | C43 | C44 | H28 | 88.1° | 60.0° |
| H26 | C43 | C44 | H27 | 87.6° | 60.1° |
| H26 | C43 | C44 | H28 | 30.3° | 180.0° |
| H27 | C44 | C45 | H29 | 117.9° | 180.0° |
| H27 | C44 | C45 | H30 | 124.1° | 60.1° |
| H28 | C44 | C45 | H29 | 0.1° | 60.1° |
| H28 | C44 | C45 | H30 | 117.9° | 180.0° |
| H29 | C45 | C46 | H31 | 142.9° | 180.0° |
| H29 | C45 | C46 | H32 | 24.9° | 59.9° |
| H30 | C45 | C46 | H31 | 99.1° | 60.0° |
| H30 | C45 | C46 | H32 | 142.9° | 180.0° |
| H31 | C46 | C47 | H33 | 79.2° | 180.0° |
| H31 | C46 | C47 | H34 | 38.5° | 59.9° |
| H32 | C46 | C47 | H33 | 162.8° | 60.0° |
| H32 | C46 | C47 | H34 | 79.5° | 180.0° |
| H33 | C47 | C48 | H35 | 169.1° | 180.0° |
| H33 | C47 | C48 | H36 | 73.5° | 60.0° |
| H34 | C47 | C48 | H35 | 73.2° | 59.9° |
| H34 | C47 | C48 | H36 | 44.3° | 180.0° |
| H35 | C48 | C49 | H37 | 125.6° | 180.0° |
| H35 | C48 | C49 | H38 | 115.4° | 59.9° |
| H36 | C48 | C49 | H37 | 8.1° | 60.0° |
| H36 | C48 | C49 | H38 | 127.2° | 180.0° |
| H37 | C49 | C50 | H39 | 59.5° | 60.0° |
| H37 | C49 | C50 | H40 | 179.5° | 180.0° |
| H37 | C49 | C50 | H41 | 60.5° | 59.9° |
| H38 | C49 | C50 | H39 | 59.5° | 60.1° |
| H38 | C49 | C50 | H40 | 60.5° | 59.9° |
| H38 | C49 | C50 | H41 | 179.5° | 180.0° |
| H39 | C50 | H40 | H41 | 120.0° | 120.0° |
| H42 | C52 | C53 | H44 | 53.1° | 60.0° |
| H42 | C52 | C53 | H45 | 171.5° | 180.0° |
| H43 | C52 | C53 | H44 | 172.0° | 180.0° |
| H43 | C52 | C53 | H45 | 69.5° | 59.9° |
| H44 | C53 | C54 | H46 | 131.8° | 180.0° |
| H44 | C53 | C54 | H47 | 13.0° | 60.0° |
| H45 | C53 | C54 | H46 | 109.8° | 60.0° |
| H45 | C53 | C54 | H47 | 131.5° | 180.0° |
| H46 | C54 | C55 | H48 | 153.4° | 180.0° |
| H46 | C54 | C55 | H49 | 35.0° | 60.0° |
| H47 | C54 | C55 | H48 | 87.9° | 60.0° |
| H47 | C54 | C55 | H49 | 153.7° | 179.9° |
| H48 | C55 | C56 | H50 | 179.5° | 64.9° |
| H49 | C55 | C56 | H50 | 61.1° | 175.1° |
| H50 | C56 | N57 | H79 | 106.1° | 145.0° |
| H53 | C62 | C63 | H54 | 0.3° | 0.0° |
| H54 | C63 | C64 | H55 | 0.3° | 0.0° |
| H55 | C64 | C65 | H56 | 0.3° | 0.1° |
| H56 | C65 | C66 | H57 | 0.4° | 0.1° |
| H58 | C70 | C71 | H60 | 157.6° | 60.0° |
| H58 | C70 | C71 | H61 | 39.0° | 180.0° |
| H58 | C70 | N69 | H80 | 35.7° | 120.0° |
| H59 | C70 | C71 | H60 | 83.0° | 180.0° |
| H59 | C70 | C71 | H61 | 158.4° | 60.0° |
| H59 | C70 | N69 | H80 | 155.0° | 120.0° |
| H62 | C73 | C74 | H64 | 59.8° | 60.0° |
| H62 | C73 | C74 | H65 | 60.2° | 180.0° |
| H62 | C73 | C74 | H66 | 179.8° | 60.1° |
| H63 | C73 | C74 | H64 | 59.8° | 180.0° |
| H63 | C73 | C74 | H65 | 179.8° | 60.0° |
| H63 | C73 | C74 | H66 | 60.2° | 59.9° |
| H64 | C74 | H65 | H66 | 120.0° | 120.0° |
| H67 | C75 | C76 | H69 | 59.4° | 60.0° |
| H67 | C75 | C76 | H70 | 179.4° | 180.0° |
| H67 | C75 | C76 | H71 | 60.6° | 60.0° |
| H68 | C75 | C76 | H69 | 59.4° | 180.0° |
| H68 | C75 | C76 | H70 | 60.6° | 60.0° |
| H68 | C75 | C76 | H71 | 179.4° | 60.0° |
| H69 | C76 | H70 | H71 | 120.0° | 120.0° |
| H72 | C77 | C78 | H74 | 59.5° | 59.9° |
| H72 | C77 | C78 | H75 | 179.5° | 180.0° |
| H72 | C77 | C78 | H76 | 60.5° | 60.0° |
| H73 | C77 | C78 | H74 | 59.5° | 180.0° |
| H73 | C77 | C78 | H75 | 60.5° | 60.0° |
| H73 | C77 | C78 | H76 | 179.5° | 60.0° |
| H74 | C78 | H75 | H76 | 120.0° | 120.0° |
