D03
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C51 | C54 | sing | 1.55Å | 1.51Å | |
| C51 | N49 | sing | 1.47Å | 1.47Å | |
| C54 | C45 | sing | 1.55Å | 1.54Å | |
| N49 | C47 | sing | 1.34Å | 1.35Å | |
| C12 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C07 | doub | 1.40Å | 1.40Å | Aromatic |
| O58 | C57 | sing | 1.43Å | 1.40Å | |
| N68 | C70 | sing | 1.46Å | 1.51Å | |
| N68 | C66 | sing | 1.35Å | 1.31Å | |
| C47 | C45 | sing | 1.51Å | 1.51Å | |
| C47 | O48 | doub | 1.21Å | 1.20Å | |
| C70 | C73 | sing | 1.51Å | 1.55Å | |
| C45 | C42 | sing | 1.53Å | 1.50Å | |
| C74 | C73 | doub | 1.38Å | 1.41Å | Aromatic |
| C74 | C82 | sing | 1.38Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
| C07 | C05 | sing | 1.47Å | 1.49Å | |
| C42 | C40 | sing | 1.53Å | 1.54Å | |
| O37 | C36 | doub | 1.21Å | 1.22Å | |
| C73 | C76 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | C57 | sing | 1.53Å | 1.55Å | |
| C40 | N38 | sing | 1.47Å | 1.44Å | |
| C82 | C80 | doub | 1.38Å | 1.42Å | Aromatic |
| C57 | C66 | sing | 1.51Å | 1.50Å | |
| C66 | O67 | doub | 1.21Å | 1.19Å | |
| C05 | C03 | doub | 1.35Å | 1.35Å | |
| C76 | C78 | doub | 1.38Å | 1.42Å | Aromatic |
| C80 | C78 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | N38 | sing | 1.35Å | 1.37Å | |
| C36 | C20 | sing | 1.51Å | 1.49Å | |
| C03 | C02 | sing | 1.46Å | 1.50Å | |
| C02 | O01 | doub | 1.22Å | 1.20Å | |
| C02 | N18 | sing | 1.35Å | 1.32Å | |
| N18 | C20 | sing | 1.46Å | 1.46Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| N18 | H8 | sing | 0.97Å | 1.00Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| N38 | H17 | sing | 0.97Å | 1.00Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| N49 | H22 | sing | 0.97Å | 1.00Å | |
| C51 | H23 | sing | 1.09Å | 1.10Å | |
| C51 | H24 | sing | 1.09Å | 1.10Å | |
| C54 | H25 | sing | 1.09Å | 1.10Å | |
| C54 | H26 | sing | 1.09Å | 1.10Å | |
| C57 | H27 | sing | 1.09Å | 1.10Å | |
| O58 | H28 | sing | 0.97Å | 0.95Å | |
| N68 | H29 | sing | 0.97Å | 1.00Å | |
| C70 | H30 | sing | 1.09Å | 1.10Å | |
| C70 | H31 | sing | 1.09Å | 1.10Å | |
| C74 | H32 | sing | 1.08Å | 1.08Å | |
| C76 | H33 | sing | 1.08Å | 1.08Å | |
| C78 | H34 | sing | 1.08Å | 1.08Å | |
| C80 | H35 | sing | 1.08Å | 1.08Å | |
| C82 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C54 | C51 | N49 | 106.3° | 105.5° |
| C51 | C54 | C45 | 103.5° | 101.6° |
| C54 | C51 | H23 | 110.2° | 110.2° |
| C54 | C51 | H24 | 110.3° | 110.2° |
| C51 | C54 | H25 | 110.9° | 111.0° |
| C51 | C54 | H26 | 111.0° | 111.0° |
| C51 | N49 | C47 | 113.0° | 111.3° |
| C51 | N49 | H22 | 123.5° | 124.4° |
| N49 | C51 | H23 | 110.3° | 110.2° |
| N49 | C51 | H24 | 110.2° | 110.3° |
| C54 | C45 | C47 | 105.7° | 104.3° |
| C54 | C45 | C42 | 116.1° | 110.5° |
| C54 | C45 | H21 | 105.8° | 110.5° |
| C45 | C54 | H25 | 111.0° | 111.0° |
| C45 | C54 | H26 | 110.9° | 111.1° |
| N49 | C47 | C45 | 108.3° | 110.1° |
| N49 | C47 | O48 | 124.2° | 125.0° |
| C47 | N49 | H22 | 123.5° | 124.3° |
| C14 | C12 | C10 | 120.2° | 120.3° |
| C12 | C14 | C16 | 120.4° | 120.2° |
| C12 | C14 | H4 | 119.8° | 119.9° |
| C14 | C12 | H5 | 119.9° | 119.8° |
| C12 | C10 | C08 | 119.7° | 120.2° |
| C10 | C12 | H5 | 119.9° | 119.9° |
| C12 | C10 | H6 | 120.2° | 119.9° |
| C14 | C16 | C07 | 120.0° | 119.8° |
| C14 | C16 | H3 | 120.0° | 120.1° |
| C16 | C14 | H4 | 119.8° | 119.9° |
| C10 | C08 | C07 | 120.4° | 119.8° |
| C08 | C10 | H6 | 120.1° | 119.9° |
| C10 | C08 | H7 | 119.8° | 120.1° |
| C16 | C07 | C08 | 119.3° | 119.7° |
| C16 | C07 | C05 | 117.3° | 120.2° |
| C07 | C16 | H3 | 120.0° | 120.1° |
| O58 | C57 | C40 | 111.0° | 109.5° |
| O58 | C57 | C66 | 104.3° | 109.5° |
| O58 | C57 | H27 | 110.8° | 109.5° |
| C57 | O58 | H28 | 109.5° | 114.0° |
| C70 | N68 | C66 | 114.7° | 120.0° |
| N68 | C70 | C73 | 123.4° | 109.5° |
| C70 | N68 | H29 | 122.6° | 120.0° |
| N68 | C70 | H30 | 105.9° | 109.5° |
| N68 | C70 | H31 | 105.9° | 109.5° |
| N68 | C66 | C57 | 121.5° | 120.0° |
| N68 | C66 | O67 | 118.6° | 120.0° |
| C66 | N68 | H29 | 122.6° | 120.0° |
| C45 | C47 | O48 | 122.1° | 124.9° |
| C47 | C45 | C42 | 115.9° | 110.5° |
| C47 | C45 | H21 | 106.1° | 110.5° |
| C70 | C73 | C74 | 122.7° | 119.9° |
| C70 | C73 | C76 | 120.5° | 120.0° |
| C73 | C70 | H30 | 105.9° | 109.4° |
| C73 | C70 | H31 | 105.9° | 109.5° |
| C45 | C42 | C40 | 114.8° | 109.5° |
| C45 | C42 | H19 | 108.1° | 109.4° |
| C45 | C42 | H20 | 108.1° | 109.5° |
| C42 | C45 | H21 | 106.3° | 110.4° |
| C73 | C74 | C82 | 120.6° | 120.0° |
| C74 | C73 | C76 | 116.4° | 120.0° |
| C73 | C74 | H32 | 119.7° | 120.0° |
| C74 | C82 | C80 | 121.4° | 120.0° |
| C82 | C74 | H32 | 119.7° | 120.0° |
| C74 | C82 | H36 | 119.3° | 120.0° |
| C08 | C07 | C05 | 123.4° | 120.1° |
| C07 | C08 | H7 | 119.8° | 120.1° |
| C07 | C05 | C03 | 123.4° | 120.0° |
| C07 | C05 | H2 | 118.3° | 120.0° |
| C42 | C40 | C57 | 109.0° | 109.5° |
| C42 | C40 | N38 | 110.8° | 109.4° |
| C42 | C40 | H18 | 108.1° | 109.5° |
| C40 | C42 | H19 | 108.1° | 109.5° |
| C40 | C42 | H20 | 108.1° | 109.5° |
| O37 | C36 | N38 | 122.1° | 120.0° |
| O37 | C36 | C20 | 120.6° | 120.0° |
| C73 | C76 | C78 | 123.7° | 120.0° |
| C73 | C76 | H33 | 118.1° | 120.0° |
| C57 | C40 | N38 | 111.3° | 109.5° |
| C40 | C57 | C66 | 112.4° | 109.5° |
| C57 | C40 | H18 | 108.1° | 109.5° |
| C40 | C57 | H27 | 108.8° | 109.5° |
| C40 | N38 | C36 | 119.9° | 120.0° |
| C40 | N38 | H17 | 120.1° | 120.0° |
| N38 | C40 | H18 | 109.5° | 109.5° |
| C82 | C80 | C78 | 119.0° | 120.0° |
| C82 | C80 | H35 | 120.5° | 119.9° |
| C80 | C82 | H36 | 119.3° | 120.1° |
| C57 | C66 | O67 | 119.8° | 120.0° |
| C66 | C57 | H27 | 109.5° | 109.5° |
| C05 | C03 | C02 | 121.6° | 120.0° |
| C05 | C03 | H1 | 119.2° | 119.9° |
| C03 | C05 | H2 | 118.3° | 120.0° |
| C76 | C78 | C80 | 118.9° | 120.0° |
| C78 | C76 | H33 | 118.1° | 120.0° |
| C76 | C78 | H34 | 120.6° | 120.0° |
| C80 | C78 | H34 | 120.6° | 120.0° |
| C78 | C80 | H35 | 120.5° | 120.0° |
| N38 | C36 | C20 | 117.2° | 120.0° |
| C36 | N38 | H17 | 120.0° | 120.0° |
| C36 | C20 | N18 | 113.5° | 109.5° |
| C36 | C20 | C22 | 111.7° | 109.5° |
| C36 | C20 | H9 | 107.1° | 109.5° |
| C03 | C02 | O01 | 123.4° | 120.0° |
| C03 | C02 | N18 | 119.6° | 120.0° |
| C02 | C03 | H1 | 119.2° | 120.1° |
| O01 | C02 | N18 | 115.4° | 120.0° |
| C02 | N18 | C20 | 121.9° | 120.0° |
| C02 | N18 | H8 | 119.0° | 120.0° |
| N18 | C20 | C22 | 110.3° | 109.4° |
| C20 | N18 | H8 | 119.1° | 120.0° |
| N18 | C20 | H9 | 107.4° | 109.5° |
| C20 | C22 | C25 | 102.4° | 109.5° |
| C22 | C20 | H9 | 106.5° | 109.4° |
| C20 | C22 | H10 | 111.2° | 109.5° |
| C20 | C22 | H11 | 111.2° | 109.4° |
| C22 | C25 | C26 | 118.6° | 119.9° |
| C22 | C25 | C34 | 119.3° | 120.0° |
| C25 | C22 | H10 | 111.2° | 109.5° |
| C25 | C22 | H11 | 111.2° | 109.5° |
| C26 | C25 | C34 | 122.2° | 120.0° |
| C25 | C26 | C28 | 119.7° | 120.0° |
| C25 | C26 | H16 | 120.2° | 120.0° |
| C25 | C34 | C32 | 119.3° | 120.0° |
| C25 | C34 | H12 | 120.4° | 120.0° |
| C26 | C28 | C30 | 117.4° | 120.0° |
| C26 | C28 | H15 | 121.3° | 120.1° |
| C28 | C26 | H16 | 120.1° | 120.0° |
| C34 | C32 | C30 | 118.4° | 120.0° |
| C32 | C34 | H12 | 120.4° | 120.0° |
| C34 | C32 | H13 | 120.8° | 120.0° |
| C28 | C30 | C32 | 123.1° | 120.0° |
| C28 | C30 | H14 | 118.5° | 120.0° |
| C30 | C28 | H15 | 121.3° | 120.0° |
| C30 | C32 | H13 | 120.8° | 120.0° |
| C32 | C30 | H14 | 118.5° | 120.0° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H19 | C42 | H20 | 109.5° | 109.5° |
| H23 | C51 | H24 | 109.5° | 110.3° |
| H25 | C54 | H26 | 109.5° | 110.8° |
| H30 | C70 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C54 | C51 | N49 | H23 | 119.5° | 119.0° |
| C54 | C51 | N49 | H24 | 119.5° | 119.0° |
| C51 | C54 | C45 | H25 | 119.0° | 118.1° |
| C51 | C54 | C45 | H26 | 119.1° | 118.1° |
| C54 | C51 | N49 | C47 | 7.3° | 17.1° |
| C51 | C54 | C45 | C47 | 17.6° | 24.8° |
| C51 | C54 | C45 | C42 | 147.7° | 93.9° |
| C51 | C54 | C45 | H21 | 94.7° | 143.5° |
| C54 | C51 | N49 | H22 | 172.7° | 163.0° |
| C54 | C51 | H23 | H24 | 121.5° | 121.9° |
| C51 | C54 | H25 | H26 | 122.8° | 123.8° |
| N49 | C51 | C54 | C45 | 15.2° | 25.5° |
| C51 | N49 | C47 | H22 | 180.0° | 180.0° |
| C51 | N49 | C47 | C45 | 4.4° | 0.4° |
| C51 | N49 | C47 | O48 | 158.8° | 179.5° |
| N49 | C51 | H23 | H24 | 121.5° | 122.0° |
| N49 | C51 | C54 | H25 | 134.3° | 143.6° |
| N49 | C51 | C54 | H26 | 103.8° | 92.7° |
| C54 | C45 | C47 | N49 | 14.0° | 16.3° |
| C54 | C45 | C47 | C42 | 130.1° | 118.8° |
| C54 | C45 | C47 | H21 | 112.1° | 118.7° |
| C54 | C45 | C47 | O48 | 169.1° | 163.7° |
| C54 | C45 | C42 | H21 | 117.4° | 122.6° |
| C54 | C45 | C42 | C40 | 55.2° | 179.7° |
| C54 | C45 | C42 | H19 | 65.5° | 60.2° |
| C54 | C45 | C42 | H20 | 176.0° | 59.7° |
| C45 | C54 | C51 | H23 | 134.7° | 144.4° |
| C45 | C54 | C51 | H24 | 104.3° | 93.6° |
| C45 | C54 | H25 | H26 | 122.8° | 123.9° |
| N49 | C47 | C45 | O48 | 155.1° | 180.0° |
| N49 | C47 | C45 | C42 | 144.2° | 102.5° |
| N49 | C47 | C45 | H21 | 98.1° | 135.0° |
| C47 | N49 | C51 | H23 | 126.8° | 136.1° |
| C47 | N49 | C51 | H24 | 112.2° | 102.0° |
| C14 | C12 | C10 | H5 | 180.0° | 179.8° |
| C12 | C14 | C16 | H4 | 180.0° | 179.9° |
| C14 | C12 | C10 | C08 | 0.1° | 0.4° |
| C12 | C14 | C16 | C07 | 0.3° | 0.1° |
| C12 | C14 | C16 | H3 | 179.7° | 180.0° |
| C14 | C12 | C10 | H6 | 179.9° | 180.0° |
| C10 | C12 | C14 | C16 | 0.3° | 0.1° |
| C12 | C10 | C08 | H6 | 180.0° | 179.6° |
| C12 | C10 | C08 | C07 | 1.0° | 0.7° |
| C10 | C12 | C14 | H4 | 179.7° | 179.9° |
| C12 | C10 | C08 | H7 | 179.0° | 179.9° |
| C14 | C16 | C07 | H3 | 180.0° | 179.9° |
| C14 | C16 | C07 | C08 | 1.2° | 0.3° |
| C14 | C16 | C07 | C05 | 179.7° | 180.0° |
| C16 | C14 | C12 | H5 | 179.7° | 180.0° |
| C10 | C08 | C07 | C16 | 1.6° | 0.6° |
| C10 | C08 | C07 | H7 | 180.0° | 179.4° |
| C10 | C08 | C07 | C05 | 180.0° | 179.7° |
| C08 | C10 | C12 | H5 | 180.0° | 179.7° |
| C16 | C07 | C08 | C05 | 178.4° | 179.7° |
| C16 | C07 | C05 | C03 | 170.1° | 180.0° |
| C16 | C07 | C05 | H2 | 9.9° | 0.0° |
| C07 | C16 | C14 | H4 | 179.7° | 180.0° |
| C16 | C07 | C08 | H7 | 178.4° | 180.0° |
| O58 | C57 | C66 | N68 | 46.4° | 176.1° |
| O58 | C57 | C40 | C42 | 58.5° | 51.6° |
| O58 | C57 | C40 | C66 | 116.4° | 120.0° |
| O58 | C57 | C40 | H27 | 122.2° | 120.0° |
| O58 | C57 | C40 | N38 | 178.9° | 68.3° |
| O58 | C57 | C66 | H27 | 118.6° | 120.0° |
| O58 | C57 | C66 | O67 | 136.2° | 4.0° |
| O58 | C57 | C40 | H18 | 58.7° | 171.7° |
| C70 | N68 | C66 | H29 | 180.0° | 179.9° |
| N68 | C70 | C73 | H30 | 121.9° | 120.0° |
| N68 | C70 | C73 | H31 | 121.9° | 120.1° |
| N68 | C70 | C73 | C74 | 38.7° | 89.7° |
| N68 | C70 | C73 | C76 | 148.1° | 89.9° |
| C70 | N68 | C66 | C57 | 178.0° | 180.0° |
| C70 | N68 | C66 | O67 | 0.7° | 0.1° |
| N68 | C70 | H30 | H31 | 113.7° | 120.0° |
| C66 | N68 | C70 | C73 | 80.2° | 180.0° |
| N68 | C66 | C57 | C40 | 73.9° | 63.9° |
| N68 | C66 | C57 | O67 | 177.3° | 179.9° |
| N68 | C66 | C57 | H27 | 165.1° | 56.1° |
| C66 | N68 | C70 | H30 | 157.9° | 60.1° |
| C66 | N68 | C70 | H31 | 41.7° | 59.9° |
| C47 | C45 | C42 | H21 | 117.7° | 122.5° |
| C47 | C45 | C42 | C40 | 179.8° | 65.3° |
| C47 | C45 | C42 | H19 | 59.5° | 54.7° |
| C47 | C45 | C42 | H20 | 59.0° | 174.7° |
| C45 | C47 | N49 | H22 | 175.6° | 179.6° |
| C47 | C45 | C54 | H25 | 136.6° | 142.9° |
| C47 | C45 | C54 | H26 | 101.5° | 93.3° |
| O48 | C47 | C45 | C42 | 60.8° | 77.5° |
| O48 | C47 | C45 | H21 | 57.0° | 45.0° |
| O48 | C47 | N49 | H22 | 21.2° | 0.4° |
| C70 | C73 | C74 | C76 | 173.4° | 179.6° |
| C70 | C73 | C74 | C82 | 176.1° | 180.0° |
| C70 | C73 | C76 | C78 | 174.5° | 180.0° |
| C73 | C70 | N68 | H29 | 99.8° | 0.0° |
| C73 | C70 | H30 | H31 | 113.7° | 120.0° |
| C70 | C73 | C74 | H32 | 3.9° | 0.1° |
| C70 | C73 | C76 | H33 | 5.6° | 0.0° |
| C45 | C42 | C40 | H19 | 120.8° | 120.0° |
| C45 | C42 | C40 | H20 | 120.8° | 120.0° |
| C45 | C42 | C40 | C57 | 172.5° | 72.9° |
| C45 | C42 | C40 | N38 | 64.6° | 167.2° |
| C45 | C42 | C40 | H18 | 55.3° | 47.2° |
| C45 | C42 | H19 | H20 | 117.6° | 120.0° |
| C42 | C45 | C54 | H25 | 93.3° | 24.2° |
| C42 | C45 | C54 | H26 | 28.6° | 148.0° |
| C73 | C74 | C82 | H32 | 180.0° | 179.9° |
| C73 | C74 | C82 | C80 | 3.0° | 0.0° |
| C74 | C73 | C76 | C78 | 0.9° | 0.3° |
| C74 | C73 | C70 | H30 | 83.2° | 150.3° |
| C74 | C73 | C70 | H31 | 160.6° | 30.3° |
| C74 | C73 | C76 | H33 | 179.2° | 179.7° |
| C73 | C74 | C82 | H36 | 177.0° | 179.9° |
| C82 | C74 | C73 | C76 | 2.7° | 0.3° |
| C74 | C82 | C80 | H36 | 180.0° | 180.0° |
| C74 | C82 | C80 | C78 | 1.3° | 0.3° |
| C74 | C82 | C80 | H35 | 178.7° | 180.0° |
| C08 | C07 | C05 | C03 | 11.5° | 0.3° |
| C08 | C07 | C05 | H2 | 168.5° | 179.7° |
| C08 | C07 | C16 | H3 | 178.8° | 179.8° |
| C07 | C08 | C10 | H6 | 179.0° | 179.7° |
| C07 | C05 | C03 | H2 | 180.0° | 180.0° |
| C07 | C05 | C03 | C02 | 176.1° | 180.0° |
| C07 | C05 | C03 | H1 | 3.9° | 0.0° |
| C05 | C07 | C16 | H3 | 0.3° | 0.1° |
| C05 | C07 | C08 | H7 | 0.0° | 0.3° |
| C42 | C40 | C57 | N38 | 122.5° | 119.9° |
| C42 | C40 | C57 | H18 | 117.2° | 120.1° |
| C42 | C40 | N38 | H18 | 119.1° | 120.0° |
| C42 | C40 | C57 | C66 | 174.9° | 68.4° |
| C42 | C40 | N38 | C36 | 116.2° | 88.9° |
| C42 | C40 | N38 | H17 | 63.8° | 91.1° |
| C40 | C42 | H19 | H20 | 117.6° | 120.0° |
| C40 | C42 | C45 | H21 | 62.1° | 57.2° |
| C42 | C40 | C57 | H27 | 63.7° | 171.6° |
| O37 | C36 | N38 | C40 | 0.5° | 5.0° |
| O37 | C36 | N38 | C20 | 176.5° | 180.0° |
| O37 | C36 | C20 | N18 | 43.3° | 0.0° |
| O37 | C36 | C20 | C22 | 82.2° | 120.0° |
| O37 | C36 | C20 | H9 | 161.6° | 120.1° |
| O37 | C36 | N38 | H17 | 179.5° | 175.0° |
| C73 | C76 | C78 | H33 | 180.0° | 180.0° |
| C73 | C76 | C78 | C80 | 0.7° | 0.0° |
| C76 | C73 | C70 | H30 | 89.9° | 30.0° |
| C76 | C73 | C70 | H31 | 26.3° | 150.0° |
| C76 | C73 | C74 | H32 | 177.3° | 179.8° |
| C73 | C76 | C78 | H34 | 179.2° | 180.0° |
| C57 | C40 | N38 | H18 | 119.4° | 120.0° |
| C40 | C57 | C66 | H27 | 121.1° | 120.0° |
| C40 | C57 | C66 | O67 | 103.5° | 116.0° |
| C57 | C40 | N38 | C36 | 122.4° | 151.1° |
| C57 | C40 | N38 | H17 | 57.6° | 28.9° |
| C57 | C40 | C42 | H19 | 51.8° | 167.2° |
| C57 | C40 | C42 | H20 | 66.7° | 47.1° |
| C40 | C57 | O58 | H28 | 180.0° | 60.0° |
| N38 | C40 | C57 | C66 | 62.6° | 171.7° |
| C40 | N38 | C36 | H17 | 180.0° | 180.0° |
| C40 | N38 | C36 | C20 | 176.0° | 175.0° |
| N38 | C40 | C42 | H19 | 174.6° | 47.2° |
| N38 | C40 | C42 | H20 | 56.2° | 72.8° |
| N38 | C40 | C57 | H27 | 58.8° | 51.7° |
| C82 | C80 | C78 | C76 | 0.5° | 0.3° |
| C82 | C80 | C78 | H35 | 180.0° | 179.7° |
| C80 | C82 | C74 | H32 | 177.0° | 179.9° |
| C82 | C80 | C78 | H34 | 179.5° | 179.7° |
| C66 | C57 | C40 | H18 | 57.6° | 51.7° |
| C66 | C57 | O58 | H28 | 58.8° | 60.0° |
| C57 | C66 | N68 | H29 | 2.0° | 0.1° |
| O67 | C66 | C57 | H27 | 17.6° | 124.0° |
| O67 | C66 | N68 | H29 | 179.3° | 179.9° |
| C05 | C03 | C02 | H1 | 180.0° | 180.0° |
| C05 | C03 | C02 | O01 | 15.5° | 0.1° |
| C05 | C03 | C02 | N18 | 149.6° | 179.7° |
| C76 | C78 | C80 | H34 | 180.0° | 179.9° |
| C76 | C78 | C80 | H35 | 179.5° | 180.0° |
| C80 | C78 | C76 | H33 | 179.2° | 180.0° |
| C78 | C80 | C82 | H36 | 178.7° | 179.8° |
| N38 | C36 | C20 | N18 | 133.2° | 180.0° |
| N38 | C36 | C20 | C22 | 101.3° | 60.0° |
| N38 | C36 | C20 | H9 | 14.9° | 60.0° |
| C36 | N38 | C40 | H18 | 2.9° | 31.1° |
| C36 | C20 | N18 | C02 | 66.2° | 155.0° |
| C36 | C20 | N18 | C22 | 126.2° | 120.0° |
| C36 | C20 | N18 | H9 | 118.2° | 120.1° |
| C36 | C20 | C22 | H9 | 116.6° | 120.0° |
| C36 | C20 | C22 | C25 | 166.2° | 175.0° |
| C36 | C20 | N18 | H8 | 113.8° | 24.9° |
| C36 | C20 | C22 | H10 | 75.0° | 65.0° |
| C36 | C20 | C22 | H11 | 47.4° | 55.0° |
| C20 | C36 | N38 | H17 | 4.0° | 5.0° |
| C03 | C02 | O01 | N18 | 165.7° | 179.6° |
| C03 | C02 | N18 | C20 | 165.0° | 179.7° |
| C02 | C03 | C05 | H2 | 3.9° | 0.0° |
| C03 | C02 | N18 | H8 | 15.0° | 0.3° |
| O01 | C02 | N18 | C20 | 1.3° | 0.0° |
| O01 | C02 | C03 | H1 | 164.5° | 179.9° |
| O01 | C02 | N18 | H8 | 178.7° | 179.9° |
| C02 | N18 | C20 | H8 | 180.0° | 179.9° |
| C02 | N18 | C20 | C22 | 167.7° | 85.0° |
| N18 | C02 | C03 | H1 | 30.4° | 0.3° |
| C02 | N18 | C20 | H9 | 52.0° | 34.9° |
| N18 | C20 | C22 | H9 | 116.2° | 120.0° |
| N18 | C20 | C22 | C25 | 66.6° | 65.0° |
| N18 | C20 | C22 | H10 | 52.2° | 55.0° |
| N18 | C20 | C22 | H11 | 174.5° | 175.0° |
| C20 | C22 | C25 | H10 | 118.8° | 120.0° |
| C20 | C22 | C25 | H11 | 118.9° | 119.9° |
| C20 | C22 | C25 | C26 | 95.6° | 90.0° |
| C20 | C22 | C25 | C34 | 83.1° | 89.7° |
| C22 | C20 | N18 | H8 | 12.4° | 95.0° |
| C20 | C22 | H10 | H11 | 123.3° | 120.0° |
| C22 | C25 | C26 | C34 | 178.7° | 179.8° |
| C22 | C25 | C26 | C28 | 179.3° | 179.7° |
| C22 | C25 | C34 | C32 | 177.4° | 180.0° |
| C25 | C22 | C20 | H9 | 49.6° | 55.0° |
| C25 | C22 | H10 | H11 | 123.3° | 120.0° |
| C22 | C25 | C34 | H12 | 2.6° | 0.0° |
| C22 | C25 | C26 | H16 | 0.6° | 0.0° |
| C25 | C26 | C28 | H16 | 180.0° | 179.8° |
| C26 | C25 | C34 | C32 | 1.3° | 0.3° |
| C25 | C26 | C28 | C30 | 0.9° | 0.5° |
| C26 | C25 | C22 | H10 | 23.2° | 30.0° |
| C26 | C25 | C22 | H11 | 145.5° | 150.0° |
| C26 | C25 | C34 | H12 | 178.7° | 179.7° |
| C25 | C26 | C28 | H15 | 179.1° | 179.8° |
| C34 | C25 | C26 | C28 | 0.7° | 0.5° |
| C25 | C34 | C32 | H12 | 180.0° | 180.0° |
| C25 | C34 | C32 | C30 | 2.9° | 0.0° |
| C34 | C25 | C22 | H10 | 158.1° | 150.3° |
| C34 | C25 | C22 | H11 | 35.8° | 30.2° |
| C25 | C34 | C32 | H13 | 177.1° | 180.0° |
| C34 | C25 | C26 | H16 | 179.3° | 179.7° |
| C26 | C28 | C30 | H15 | 180.0° | 179.8° |
| C26 | C28 | C30 | C32 | 0.9° | 0.2° |
| C26 | C28 | C30 | H14 | 179.1° | 179.7° |
| C34 | C32 | C30 | C28 | 2.8° | 0.0° |
| C34 | C32 | C30 | H13 | 180.0° | 179.9° |
| C34 | C32 | C30 | H14 | 177.2° | 180.0° |
| C28 | C30 | C32 | H14 | 180.0° | 180.0° |
| C28 | C30 | C32 | H13 | 177.2° | 180.0° |
| C30 | C28 | C26 | H16 | 179.1° | 179.8° |
| C30 | C32 | C34 | H12 | 177.1° | 180.0° |
| C32 | C30 | C28 | H15 | 179.2° | 180.0° |
| H1 | C03 | C05 | H2 | 176.1° | 180.0° |
| H3 | C16 | C14 | H4 | 0.3° | 0.1° |
| H4 | C14 | C12 | H5 | 0.3° | 0.1° |
| H5 | C12 | C10 | H6 | 0.0° | 0.1° |
| H6 | C10 | C08 | H7 | 1.0° | 0.3° |
| H8 | N18 | C20 | H9 | 128.0° | 145.0° |
| H9 | C20 | C22 | H10 | 168.4° | 175.0° |
| H9 | C20 | C22 | H11 | 69.3° | 65.0° |
| H12 | C34 | C32 | H13 | 2.9° | 0.0° |
| H13 | C32 | C30 | H14 | 2.8° | 0.1° |
| H14 | C30 | C28 | H15 | 0.8° | 0.0° |
| H15 | C28 | C26 | H16 | 0.9° | 0.0° |
| H17 | N38 | C40 | H18 | 177.0° | 148.9° |
| H18 | C40 | C42 | H19 | 65.5° | 72.8° |
| H18 | C40 | C42 | H20 | 176.1° | 167.2° |
| H18 | C40 | C57 | H27 | 179.1° | 68.3° |
| H19 | C42 | C45 | H21 | 177.1° | 177.2° |
| H20 | C42 | C45 | H21 | 58.7° | 62.8° |
| H21 | C45 | C54 | H25 | 24.3° | 98.3° |
| H21 | C45 | C54 | H26 | 146.2° | 25.4° |
| H22 | N49 | C51 | H23 | 53.2° | 44.0° |
| H22 | N49 | C51 | H24 | 67.8° | 78.0° |
| H23 | C51 | C54 | H25 | 106.2° | 97.4° |
| H23 | C51 | C54 | H26 | 15.7° | 26.3° |
| H24 | C51 | C54 | H25 | 14.8° | 24.5° |
| H24 | C51 | C54 | H26 | 136.7° | 148.3° |
| H27 | C57 | O58 | H28 | 58.9° | 180.0° |
| H29 | N68 | C70 | H30 | 22.1° | 120.0° |
| H29 | N68 | C70 | H31 | 138.3° | 120.0° |
| H32 | C74 | C82 | H36 | 3.0° | 0.0° |
| H33 | C76 | C78 | H34 | 0.8° | 0.0° |
| H34 | C78 | C80 | H35 | 0.6° | 0.0° |
| H35 | C80 | C82 | H36 | 1.3° | 0.1° |
