L8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C05 | doub | 1.44Å | 1.44Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C04 | doub | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.52Å | 1.52Å | |
| C13 | C29 | sing | 1.55Å | 1.55Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.44Å | 1.44Å | |
| C15 | O28 | doub | 1.19Å | 1.19Å | |
| C17 | C21 | sing | 1.40Å | 1.40Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | |
| C17 | FE | sing | 2.03Å | 2.03Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | |
| C20 | C19 | sing | 1.44Å | 1.44Å | |
| C20 | FE | sing | 2.03Å | 2.03Å | |
| C21 | FE | sing | 2.04Å | 2.04Å | |
| C24 | FE | sing | 1.99Å | 1.99Å | |
| C24 | C23 | sing | 1.38Å | 1.38Å | |
| C24 | C25 | sing | 1.39Å | 1.39Å | |
| C26 | FE | sing | 2.01Å | 2.01Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | |
| C01 | C02 | sing | 1.61Å | 1.61Å | |
| C02 | C03 | sing | 1.42Å | 1.42Å | Aromatic |
| C02 | C37 | doub | 1.47Å | 1.47Å | Aromatic |
| C03 | C04 | sing | 1.54Å | 1.54Å | |
| C03 | C35 | doub | 1.35Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C07 | doub | 1.42Å | 1.42Å | Aromatic |
| C07 | C08 | sing | 1.41Å | 1.41Å | Aromatic |
| C08 | C09 | doub | 1.42Å | 1.42Å | Aromatic |
| C08 | CL | sing | 1.80Å | 1.80Å | |
| C18 | C19 | doub | 1.42Å | 1.42Å | |
| C18 | FE | sing | 2.03Å | 2.03Å | |
| C19 | FE | sing | 2.03Å | 2.03Å | |
| FE | C23 | sing | 2.00Å | 2.00Å | |
| FE | C25 | sing | 2.00Å | 2.00Å | |
| FE | C27 | sing | 2.00Å | 2.00Å | |
| C23 | C27 | doub | 1.42Å | 1.42Å | |
| C29 | N30 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N34 | sing | 1.29Å | 1.29Å | Aromatic |
| N30 | N31 | sing | 1.38Å | 1.38Å | Aromatic |
| N31 | C32 | doub | 1.33Å | 1.33Å | Aromatic |
| C32 | C33 | sing | 1.56Å | 1.56Å | |
| C32 | N34 | sing | 1.39Å | 1.39Å | Aromatic |
| N34 | C35 | sing | 1.36Å | 1.36Å | |
| C35 | S36 | sing | 1.79Å | 1.79Å | Aromatic |
| S36 | C37 | sing | 1.79Å | 1.79Å | Aromatic |
| C37 | C38 | sing | 1.57Å | 1.57Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.10Å | 1.10Å | |
| C01 | H9 | sing | 1.10Å | 1.10Å | |
| C01 | H10 | sing | 1.10Å | 1.10Å | |
| C01 | H11 | sing | 1.10Å | 1.10Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.10Å | 1.10Å | |
| C14 | H17 | sing | 1.10Å | 1.10Å | |
| N16 | H18 | sing | 1.00Å | 1.00Å | |
| C33 | H24 | sing | 1.10Å | 1.10Å | |
| C33 | H25 | sing | 1.10Å | 1.10Å | |
| C33 | H26 | sing | 1.10Å | 1.10Å | |
| C38 | H27 | sing | 1.10Å | 1.10Å | |
| C38 | H28 | sing | 1.10Å | 1.10Å | |
| C38 | H29 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C10 | C09 | 118.3° | 118.3° |
| C10 | C05 | C04 | 119.3° | 119.3° |
| C10 | C05 | C06 | 121.7° | 121.7° |
| C05 | C10 | H1 | 120.8° | 120.9° |
| C10 | C09 | C08 | 120.2° | 120.2° |
| C09 | C10 | H1 | 120.9° | 120.8° |
| C10 | C09 | H15 | 119.9° | 119.9° |
| C13 | N12 | C04 | 123.7° | 123.7° |
| N12 | C13 | C14 | 106.4° | 106.4° |
| N12 | C13 | C29 | 116.6° | 116.6° |
| N12 | C13 | H4 | 108.7° | 108.7° |
| N12 | C04 | C03 | 113.5° | 113.5° |
| N12 | C04 | C05 | 126.0° | 126.0° |
| C14 | C13 | C29 | 109.2° | 109.2° |
| C13 | C14 | C15 | 110.1° | 110.1° |
| C14 | C13 | H4 | 108.0° | 108.0° |
| C13 | C14 | H16 | 109.3° | 109.3° |
| C13 | C14 | H17 | 109.3° | 109.3° |
| C13 | C29 | N30 | 127.3° | 127.3° |
| C13 | C29 | N34 | 123.2° | 123.2° |
| C29 | C13 | H4 | 107.7° | 107.7° |
| C14 | C15 | N16 | 120.8° | 120.8° |
| C14 | C15 | O28 | 119.7° | 119.7° |
| C15 | C14 | H16 | 109.3° | 109.3° |
| C15 | C14 | H17 | 109.3° | 109.3° |
| N16 | C15 | O28 | 119.5° | 119.5° |
| C15 | N16 | C17 | 117.7° | 117.7° |
| C15 | N16 | H18 | 121.2° | 121.2° |
| C21 | C17 | N16 | 124.4° | 124.4° |
| C21 | C17 | C18 | 111.0° | 111.0° |
| C21 | C17 | FE | 70.3° | 70.3° |
| C17 | C21 | C20 | 107.1° | 107.1° |
| C17 | C21 | FE | 69.4° | 69.4° |
| N16 | C17 | C18 | 124.6° | 124.6° |
| N16 | C17 | FE | 126.3° | 126.3° |
| C17 | N16 | H18 | 121.1° | 121.1° |
| C18 | C17 | FE | 70.2° | 70.2° |
| C17 | C18 | C19 | 106.6° | 106.6° |
| C17 | C18 | FE | 69.6° | 69.6° |
| C17 | FE | C20 | 67.4° | 67.4° |
| C17 | FE | C21 | 40.3° | 40.3° |
| C17 | FE | C24 | 161.5° | 161.5° |
| C17 | FE | C26 | 122.1° | 122.1° |
| C17 | FE | C18 | 40.2° | 40.2° |
| C17 | FE | C19 | 67.5° | 67.5° |
| C17 | FE | C23 | 125.5° | 125.5° |
| C17 | FE | C25 | 156.9° | 156.9° |
| C17 | FE | C27 | 107.7° | 107.7° |
| C21 | C20 | C19 | 107.7° | 107.7° |
| C21 | C20 | FE | 70.0° | 70.0° |
| C20 | C21 | FE | 69.7° | 69.7° |
| C19 | C20 | FE | 69.1° | 69.1° |
| C20 | C19 | C18 | 107.7° | 107.7° |
| C20 | C19 | FE | 69.3° | 69.3° |
| C20 | FE | C21 | 40.3° | 40.3° |
| C20 | FE | C24 | 121.8° | 121.8° |
| C20 | FE | C26 | 123.2° | 123.2° |
| C20 | FE | C18 | 69.2° | 69.2° |
| C20 | FE | C19 | 41.6° | 41.6° |
| C20 | FE | C23 | 158.0° | 158.0° |
| C20 | FE | C25 | 107.2° | 107.2° |
| C20 | FE | C27 | 158.7° | 158.7° |
| C21 | FE | C24 | 156.7° | 156.7° |
| C21 | FE | C26 | 107.0° | 107.0° |
| C21 | FE | C18 | 68.8° | 68.8° |
| C21 | FE | C19 | 68.8° | 68.8° |
| C21 | FE | C23 | 160.8° | 160.8° |
| C21 | FE | C25 | 121.1° | 121.1° |
| C21 | FE | C27 | 122.5° | 122.5° |
| FE | C24 | C23 | 70.0° | 70.0° |
| FE | C24 | C25 | 70.1° | 70.1° |
| C24 | FE | C26 | 68.3° | 68.3° |
| C24 | FE | C18 | 124.6° | 124.6° |
| C24 | FE | C19 | 107.8° | 107.8° |
| C24 | FE | C23 | 40.5° | 40.5° |
| C24 | FE | C25 | 40.5° | 40.5° |
| C24 | FE | C27 | 69.5° | 69.5° |
| C23 | C24 | C25 | 107.7° | 107.7° |
| C24 | C23 | FE | 69.6° | 69.6° |
| C24 | C23 | C27 | 108.7° | 108.7° |
| C24 | C25 | C26 | 108.2° | 108.2° |
| C24 | C25 | FE | 69.4° | 69.4° |
| FE | C26 | C25 | 69.5° | 69.5° |
| FE | C26 | C27 | 69.7° | 69.7° |
| C26 | FE | C18 | 156.8° | 156.8° |
| C26 | FE | C19 | 160.9° | 160.9° |
| C26 | FE | C23 | 67.9° | 67.9° |
| C26 | FE | C25 | 40.5° | 40.5° |
| C26 | FE | C27 | 40.2° | 40.2° |
| C25 | C26 | C27 | 109.4° | 109.4° |
| C26 | C25 | FE | 69.9° | 69.9° |
| C26 | C27 | FE | 70.1° | 70.1° |
| C26 | C27 | C23 | 106.0° | 106.0° |
| C01 | C02 | C03 | 126.0° | 126.0° |
| C01 | C02 | C37 | 125.1° | 125.1° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C03 | C02 | C37 | 108.9° | 108.9° |
| C02 | C03 | C04 | 111.7° | 111.7° |
| C02 | C03 | C35 | 122.9° | 122.9° |
| C02 | C37 | S36 | 108.1° | 108.1° |
| C02 | C37 | C38 | 126.7° | 126.7° |
| C04 | C03 | C35 | 125.3° | 125.3° |
| C03 | C04 | C05 | 120.5° | 120.5° |
| C03 | C35 | N34 | 128.6° | 128.6° |
| C03 | C35 | S36 | 105.3° | 105.3° |
| C04 | C05 | C06 | 118.9° | 118.9° |
| C05 | C06 | C07 | 119.3° | 119.3° |
| C05 | C06 | H13 | 120.3° | 120.3° |
| C06 | C07 | C08 | 119.5° | 119.5° |
| C07 | C06 | H13 | 120.4° | 120.4° |
| C06 | C07 | H14 | 120.3° | 120.3° |
| C07 | C08 | C09 | 120.9° | 120.9° |
| C07 | C08 | CL | 118.7° | 118.7° |
| C08 | C07 | H14 | 120.2° | 120.2° |
| C09 | C08 | CL | 120.4° | 120.4° |
| C08 | C09 | H15 | 119.9° | 119.9° |
| C19 | C18 | FE | 69.5° | 69.5° |
| C18 | C19 | FE | 69.7° | 69.7° |
| C18 | FE | C19 | 40.8° | 40.8° |
| C18 | FE | C23 | 108.1° | 108.1° |
| C18 | FE | C25 | 161.3° | 161.3° |
| C18 | FE | C27 | 121.4° | 121.4° |
| C19 | FE | C23 | 122.1° | 122.1° |
| C19 | FE | C25 | 124.5° | 124.5° |
| C19 | FE | C27 | 157.8° | 157.8° |
| C23 | FE | C25 | 67.8° | 67.8° |
| C23 | FE | C27 | 41.6° | 41.6° |
| FE | C23 | C27 | 69.3° | 69.3° |
| C25 | FE | C27 | 68.6° | 68.6° |
| FE | C27 | C23 | 69.0° | 69.0° |
| N30 | C29 | N34 | 109.4° | 109.4° |
| C29 | N30 | N31 | 105.3° | 105.3° |
| C29 | N34 | C32 | 109.3° | 109.3° |
| C29 | N34 | C35 | 124.8° | 124.8° |
| N30 | N31 | C32 | 108.9° | 108.9° |
| N31 | C32 | C33 | 127.4° | 127.4° |
| N31 | C32 | N34 | 107.0° | 107.0° |
| C33 | C32 | N34 | 125.5° | 125.5° |
| C32 | C33 | H24 | 109.5° | 109.5° |
| C32 | C33 | H25 | 109.4° | 109.4° |
| C32 | C33 | H26 | 109.5° | 109.5° |
| C32 | N34 | C35 | 125.7° | 125.7° |
| N34 | C35 | S36 | 126.0° | 126.0° |
| C35 | S36 | C37 | 94.8° | 94.8° |
| S36 | C37 | C38 | 125.2° | 125.2° |
| C37 | C38 | H27 | 109.5° | 109.5° |
| C37 | C38 | H28 | 109.5° | 109.5° |
| C37 | C38 | H29 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.4° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.5° |
| H24 | C33 | H26 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
| H27 | C38 | H28 | 109.5° | 109.5° |
| H27 | C38 | H29 | 109.5° | 109.5° |
| H28 | C38 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C10 | C09 | H1 | 180.0° | 180.0° |
| C10 | C05 | C04 | N12 | 3.1° | 3.1° |
| C10 | C05 | C04 | C03 | 176.4° | 176.4° |
| C10 | C05 | C04 | C06 | 176.2° | 176.2° |
| C10 | C05 | C06 | C07 | 2.2° | 2.2° |
| C05 | C10 | C09 | C08 | 0.9° | 0.9° |
| C10 | C05 | C06 | H13 | 177.8° | 177.8° |
| C05 | C10 | C09 | H15 | 179.1° | 179.1° |
| C09 | C10 | C05 | C04 | 178.2° | 178.2° |
| C09 | C10 | C05 | C06 | 2.1° | 2.1° |
| C10 | C09 | C08 | C07 | 0.1° | 0.1° |
| C10 | C09 | C08 | H15 | 180.0° | 180.0° |
| C10 | C09 | C08 | CL | 179.8° | 179.8° |
| N12 | C13 | C14 | C29 | 126.6° | 126.6° |
| N12 | C13 | C14 | H4 | 116.6° | 116.6° |
| N12 | C13 | C29 | H4 | 122.4° | 122.4° |
| N12 | C13 | C14 | C15 | 47.1° | 47.1° |
| C13 | N12 | C04 | C03 | 25.5° | 25.5° |
| C13 | N12 | C04 | C05 | 154.0° | 154.0° |
| N12 | C13 | C29 | N30 | 123.3° | 123.3° |
| N12 | C13 | C29 | N34 | 59.5° | 59.5° |
| N12 | C13 | C14 | H16 | 73.0° | 73.0° |
| N12 | C13 | C14 | H17 | 167.2° | 167.2° |
| C04 | N12 | C13 | C14 | 160.1° | 160.1° |
| C04 | N12 | C13 | C29 | 38.0° | 38.0° |
| N12 | C04 | C03 | C02 | 129.8° | 129.8° |
| N12 | C04 | C03 | C05 | 179.5° | 179.5° |
| N12 | C04 | C03 | C35 | 53.1° | 53.1° |
| N12 | C04 | C05 | C06 | 179.3° | 179.3° |
| C04 | N12 | C13 | H4 | 83.9° | 83.9° |
| C14 | C13 | C29 | H4 | 117.0° | 117.0° |
| C13 | C14 | C15 | H16 | 120.1° | 120.1° |
| C13 | C14 | C15 | H17 | 120.1° | 120.1° |
| C13 | C14 | C15 | N16 | 171.6° | 171.6° |
| C13 | C14 | C15 | O28 | 8.3° | 8.3° |
| C14 | C13 | C29 | N30 | 2.8° | 2.8° |
| C14 | C13 | C29 | N34 | 179.9° | 179.9° |
| C13 | C14 | H16 | H17 | 119.7° | 119.7° |
| C29 | C13 | C14 | C15 | 173.6° | 173.6° |
| C13 | C29 | N30 | N34 | 177.5° | 177.5° |
| C13 | C29 | N30 | N31 | 179.4° | 179.4° |
| C13 | C29 | N34 | C32 | 179.2° | 179.2° |
| C13 | C29 | N34 | C35 | 4.8° | 4.8° |
| C29 | C13 | C14 | H16 | 53.6° | 53.6° |
| C29 | C13 | C14 | H17 | 66.3° | 66.3° |
| C14 | C15 | N16 | O28 | 179.9° | 179.9° |
| C14 | C15 | N16 | C17 | 179.5° | 179.5° |
| C15 | C14 | C13 | H4 | 69.5° | 69.5° |
| C15 | C14 | H16 | H17 | 119.7° | 119.7° |
| C14 | C15 | N16 | H18 | 0.5° | 0.5° |
| C15 | N16 | C17 | C21 | 137.2° | 137.2° |
| C15 | N16 | C17 | H18 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 43.3° | 43.3° |
| C15 | N16 | C17 | FE | 133.0° | 133.0° |
| N16 | C15 | C14 | H16 | 51.5° | 51.5° |
| N16 | C15 | C14 | H17 | 68.3° | 68.3° |
| O28 | C15 | N16 | C17 | 0.4° | 0.4° |
| O28 | C15 | C14 | H16 | 128.4° | 128.4° |
| O28 | C15 | C14 | H17 | 111.8° | 111.8° |
| O28 | C15 | N16 | H18 | 179.5° | 179.5° |
| C21 | C17 | N16 | C18 | 179.5° | 179.5° |
| C21 | C17 | N16 | FE | 89.8° | 89.8° |
| C21 | C17 | C18 | FE | 58.6° | 58.6° |
| C17 | C21 | C20 | FE | 59.6° | 59.6° |
| C17 | C21 | C20 | C19 | 0.5° | 0.5° |
| C17 | C21 | FE | C24 | 165.7° | 165.7° |
| C17 | C21 | FE | C26 | 120.0° | 120.0° |
| C21 | C17 | C18 | C19 | 1.4° | 1.4° |
| C17 | C21 | FE | C19 | 79.8° | 79.8° |
| C21 | C17 | FE | C23 | 162.4° | 162.4° |
| C21 | C17 | FE | C25 | 42.9° | 42.9° |
| C21 | C17 | FE | C27 | 119.8° | 119.8° |
| C21 | C17 | N16 | H18 | 42.8° | 42.8° |
| N16 | C17 | C18 | FE | 121.0° | 121.0° |
| N16 | C17 | C21 | C20 | 179.2° | 179.2° |
| N16 | C17 | FE | C20 | 156.9° | 156.9° |
| N16 | C17 | FE | C24 | 79.1° | 79.1° |
| N16 | C17 | FE | C26 | 40.8° | 40.8° |
| N16 | C17 | C18 | C19 | 179.0° | 179.0° |
| N16 | C17 | FE | C19 | 157.8° | 157.8° |
| N16 | C17 | FE | C23 | 43.6° | 43.6° |
| N16 | C17 | FE | C25 | 75.9° | 75.9° |
| N16 | C17 | FE | C27 | 0.9° | 0.9° |
| C18 | C17 | C21 | C20 | 1.2° | 1.2° |
| C17 | C18 | C19 | C20 | 1.0° | 1.0° |
| C17 | C18 | FE | C20 | 79.2° | 79.2° |
| C17 | C18 | FE | C24 | 165.7° | 165.7° |
| C17 | C18 | FE | C26 | 47.9° | 47.9° |
| C17 | C18 | C19 | FE | 60.1° | 60.1° |
| C18 | C17 | FE | C23 | 75.4° | 75.4° |
| C18 | C17 | FE | C25 | 165.1° | 165.1° |
| C18 | C17 | FE | C27 | 118.0° | 118.0° |
| C18 | C17 | N16 | H18 | 136.7° | 136.7° |
| C17 | FE | C19 | C20 | 80.9° | 80.9° |
| C17 | FE | C20 | C24 | 162.0° | 162.0° |
| C17 | FE | C20 | C26 | 114.6° | 114.6° |
| C17 | FE | C20 | C23 | 130.5° | 130.5° |
| C17 | FE | C20 | C25 | 156.1° | 156.1° |
| C17 | FE | C20 | C27 | 80.9° | 80.9° |
| C17 | FE | C24 | C26 | 127.8° | 127.8° |
| C17 | FE | C24 | C19 | 72.1° | 72.1° |
| C17 | FE | C24 | C23 | 46.8° | 46.8° |
| C17 | FE | C24 | C25 | 165.3° | 165.3° |
| C17 | FE | C24 | C27 | 84.6° | 84.6° |
| C17 | FE | C26 | C19 | 115.5° | 115.5° |
| C17 | FE | C26 | C23 | 119.0° | 119.0° |
| C17 | FE | C26 | C25 | 159.7° | 159.7° |
| C17 | FE | C26 | C27 | 79.3° | 79.3° |
| C17 | FE | C19 | C23 | 118.8° | 118.8° |
| C17 | FE | C19 | C25 | 157.5° | 157.5° |
| C17 | FE | C19 | C27 | 81.7° | 81.7° |
| C17 | FE | C23 | C25 | 158.4° | 158.4° |
| C17 | FE | C23 | C27 | 76.1° | 76.1° |
| C17 | FE | C25 | C27 | 85.1° | 85.1° |
| FE | C17 | N16 | H18 | 46.9° | 46.9° |
| C21 | C20 | C19 | FE | 59.6° | 59.6° |
| C20 | C21 | FE | C24 | 47.4° | 47.4° |
| C20 | C21 | FE | C26 | 121.7° | 121.7° |
| C21 | C20 | C19 | C18 | 0.3° | 0.3° |
| C20 | C21 | FE | C18 | 82.5° | 82.5° |
| C21 | C20 | FE | C23 | 168.6° | 168.6° |
| C21 | C20 | FE | C25 | 118.1° | 118.1° |
| C21 | C20 | FE | C27 | 42.8° | 42.8° |
| C20 | C19 | FE | C24 | 118.2° | 118.2° |
| C20 | C19 | FE | C26 | 43.3° | 43.3° |
| C20 | C19 | C18 | FE | 59.1° | 59.1° |
| C19 | C20 | FE | C23 | 49.6° | 49.6° |
| C19 | C20 | FE | C25 | 122.9° | 122.9° |
| C19 | C20 | FE | C27 | 161.8° | 161.8° |
| C20 | FE | C24 | C26 | 116.6° | 116.6° |
| C20 | FE | C24 | C18 | 85.5° | 85.5° |
| C20 | FE | C24 | C23 | 162.5° | 162.5° |
| C20 | FE | C24 | C25 | 79.1° | 79.1° |
| C20 | FE | C24 | C27 | 159.8° | 159.8° |
| C20 | FE | C26 | C18 | 116.9° | 116.9° |
| C20 | FE | C26 | C23 | 158.5° | 158.5° |
| C20 | FE | C26 | C25 | 77.2° | 77.2° |
| C20 | FE | C26 | C27 | 161.8° | 161.8° |
| C20 | FE | C18 | C23 | 156.8° | 156.8° |
| C20 | FE | C18 | C25 | 82.5° | 82.5° |
| C20 | FE | C18 | C27 | 159.4° | 159.4° |
| C20 | FE | C23 | C25 | 81.1° | 81.1° |
| C20 | FE | C23 | C27 | 163.4° | 163.4° |
| C20 | FE | C25 | C27 | 157.8° | 157.8° |
| C21 | FE | C24 | C26 | 82.5° | 82.5° |
| C21 | FE | C24 | C18 | 119.6° | 119.6° |
| C21 | FE | C24 | C19 | 77.6° | 77.6° |
| C21 | FE | C24 | C23 | 163.4° | 163.4° |
| C21 | FE | C24 | C25 | 45.0° | 45.0° |
| C21 | FE | C24 | C27 | 125.7° | 125.7° |
| C21 | FE | C26 | C18 | 75.8° | 75.8° |
| C21 | FE | C26 | C19 | 74.2° | 74.2° |
| C21 | FE | C26 | C23 | 160.4° | 160.4° |
| C21 | FE | C26 | C25 | 118.3° | 118.3° |
| C21 | FE | C26 | C27 | 120.7° | 120.7° |
| C21 | FE | C19 | C18 | 81.7° | 81.7° |
| C21 | FE | C18 | C23 | 159.9° | 159.9° |
| C21 | FE | C18 | C25 | 125.8° | 125.8° |
| C21 | FE | C18 | C27 | 116.1° | 116.1° |
| C21 | FE | C19 | C23 | 162.3° | 162.3° |
| C21 | FE | C19 | C25 | 114.0° | 114.0° |
| C21 | FE | C19 | C27 | 125.2° | 125.2° |
| C21 | FE | C23 | C25 | 121.8° | 121.8° |
| C21 | FE | C23 | C27 | 39.5° | 39.5° |
| C21 | FE | C25 | C27 | 116.0° | 116.0° |
| FE | C24 | C23 | C25 | 60.2° | 60.2° |
| C24 | FE | C26 | C18 | 128.4° | 128.4° |
| C24 | FE | C26 | C19 | 81.7° | 81.7° |
| C24 | FE | C26 | C23 | 43.8° | 43.8° |
| C24 | FE | C26 | C25 | 37.5° | 37.5° |
| C24 | FE | C26 | C27 | 83.5° | 83.5° |
| C24 | FE | C19 | C18 | 122.7° | 122.7° |
| C24 | FE | C18 | C23 | 41.7° | 41.7° |
| C24 | FE | C18 | C25 | 32.6° | 32.6° |
| C24 | FE | C18 | C27 | 85.6° | 85.6° |
| C24 | FE | C19 | C23 | 42.1° | 42.1° |
| C24 | FE | C19 | C25 | 41.6° | 41.6° |
| C24 | FE | C19 | C27 | 79.2° | 79.2° |
| C24 | FE | C23 | C27 | 120.4° | 120.4° |
| C24 | FE | C25 | C27 | 83.0° | 83.0° |
| C23 | C24 | C25 | C26 | 0.8° | 0.8° |
| C24 | C23 | C27 | C26 | 2.1° | 2.1° |
| C24 | C25 | C26 | C27 | 0.6° | 0.6° |
| C25 | C24 | C23 | C27 | 1.8° | 1.8° |
| FE | C26 | C25 | C27 | 58.4° | 58.4° |
| C26 | FE | C19 | C18 | 162.4° | 162.4° |
| C26 | FE | C18 | C23 | 76.1° | 76.1° |
| C26 | FE | C18 | C25 | 150.4° | 150.4° |
| C26 | FE | C18 | C27 | 32.3° | 32.3° |
| C26 | FE | C19 | C23 | 117.0° | 117.0° |
| C26 | FE | C19 | C25 | 33.3° | 33.3° |
| C26 | FE | C19 | C27 | 154.1° | 154.1° |
| C26 | FE | C23 | C25 | 43.9° | 43.9° |
| C26 | FE | C23 | C27 | 38.4° | 38.4° |
| C25 | C26 | C27 | C23 | 1.7° | 1.7° |
| C01 | C02 | C03 | C37 | 179.2° | 179.2° |
| C01 | C02 | C03 | C04 | 2.1° | 2.1° |
| C01 | C02 | C03 | C35 | 179.2° | 179.2° |
| C01 | C02 | C37 | S36 | 180.0° | 180.0° |
| C01 | C02 | C37 | C38 | 0.1° | 0.1° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | C04 | C35 | 177.1° | 177.1° |
| C02 | C03 | C04 | C05 | 50.6° | 50.6° |
| C02 | C03 | C35 | N34 | 178.7° | 178.7° |
| C02 | C03 | C35 | S36 | 1.5° | 1.5° |
| C03 | C02 | C37 | S36 | 0.7° | 0.7° |
| C03 | C02 | C37 | C38 | 179.3° | 179.3° |
| C03 | C02 | C01 | H9 | 89.5° | 89.5° |
| C03 | C02 | C01 | H10 | 150.5° | 150.5° |
| C03 | C02 | C01 | H11 | 30.5° | 30.5° |
| C37 | C02 | C03 | C04 | 178.7° | 178.7° |
| C37 | C02 | C03 | C35 | 1.6° | 1.6° |
| C02 | C37 | S36 | C35 | 0.0° | 0.0° |
| C02 | C37 | S36 | C38 | 179.9° | 179.9° |
| C37 | C02 | C01 | H9 | 89.6° | 89.6° |
| C37 | C02 | C01 | H10 | 30.4° | 30.4° |
| C37 | C02 | C01 | H11 | 150.4° | 150.4° |
| C02 | C37 | C38 | H27 | 179.9° | 179.9° |
| C02 | C37 | C38 | H28 | 60.0° | 60.0° |
| C02 | C37 | C38 | H29 | 60.0° | 60.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.2° |
| C04 | C03 | C35 | N34 | 4.5° | 4.5° |
| C04 | C03 | C35 | S36 | 178.3° | 178.3° |
| C35 | C03 | C04 | C05 | 126.4° | 126.4° |
| C03 | C35 | N34 | C29 | 35.1° | 35.1° |
| C03 | C35 | N34 | C32 | 138.5° | 138.5° |
| C03 | C35 | N34 | S36 | 176.6° | 176.6° |
| C03 | C35 | S36 | C37 | 0.8° | 0.8° |
| C04 | C05 | C06 | C07 | 178.3° | 178.3° |
| C04 | C05 | C10 | H1 | 1.8° | 1.8° |
| C04 | C05 | C06 | H13 | 1.7° | 1.7° |
| C05 | C06 | C07 | H13 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.2° | 1.2° |
| C06 | C05 | C10 | H1 | 177.9° | 177.9° |
| C05 | C06 | C07 | H14 | 178.8° | 178.8° |
| C06 | C07 | C08 | H14 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.1° | 0.1° |
| C06 | C07 | C08 | CL | 179.7° | 179.7° |
| C07 | C08 | C09 | CL | 179.7° | 179.7° |
| C08 | C07 | C06 | H13 | 178.8° | 178.8° |
| C07 | C08 | C09 | H15 | 179.9° | 179.9° |
| C08 | C09 | C10 | H1 | 179.1° | 179.1° |
| C09 | C08 | C07 | H14 | 180.0° | 180.0° |
| CL | C08 | C07 | H14 | 0.3° | 0.3° |
| CL | C08 | C09 | H15 | 0.2° | 0.2° |
| C19 | C18 | FE | C23 | 118.4° | 118.4° |
| C19 | C18 | FE | C25 | 44.1° | 44.1° |
| C19 | C18 | FE | C27 | 162.2° | 162.2° |
| C18 | FE | C23 | C25 | 160.5° | 160.5° |
| C18 | FE | C23 | C27 | 117.2° | 117.2° |
| C18 | FE | C25 | C27 | 126.1° | 126.1° |
| C19 | FE | C23 | C25 | 117.8° | 117.8° |
| C19 | FE | C23 | C27 | 159.9° | 159.9° |
| C19 | FE | C25 | C27 | 159.6° | 159.6° |
| C23 | FE | C25 | C27 | 45.0° | 45.0° |
| C29 | N30 | N31 | C32 | 0.1° | 0.1° |
| N30 | C29 | N34 | C32 | 3.2° | 3.2° |
| N30 | C29 | N34 | C35 | 177.6° | 177.6° |
| N30 | C29 | C13 | H4 | 114.2° | 114.2° |
| N34 | C29 | N30 | N31 | 1.9° | 1.9° |
| C29 | N34 | C32 | N31 | 3.2° | 3.2° |
| C29 | N34 | C32 | C33 | 178.8° | 178.8° |
| C29 | N34 | C32 | C35 | 174.4° | 174.4° |
| C29 | N34 | C35 | S36 | 141.6° | 141.6° |
| N34 | C29 | C13 | H4 | 62.9° | 62.9° |
| N30 | N31 | C32 | C33 | 179.9° | 179.9° |
| N30 | N31 | C32 | N34 | 2.0° | 2.0° |
| N31 | C32 | C33 | N34 | 177.6° | 177.6° |
| N31 | C32 | N34 | C35 | 177.6° | 177.6° |
| N31 | C32 | C33 | H24 | 0.0° | 0.0° |
| N31 | C32 | C33 | H25 | 120.0° | 120.0° |
| N31 | C32 | C33 | H26 | 120.0° | 120.0° |
| C33 | C32 | N34 | C35 | 4.4° | 4.4° |
| C32 | C33 | H24 | H25 | 120.0° | 120.0° |
| C32 | C33 | H24 | H26 | 120.0° | 120.0° |
| C32 | C33 | H25 | H26 | 120.0° | 120.0° |
| C32 | N34 | C35 | S36 | 44.9° | 44.9° |
| N34 | C32 | C33 | H24 | 177.5° | 177.5° |
| N34 | C32 | C33 | H25 | 62.4° | 62.4° |
| N34 | C32 | C33 | H26 | 57.5° | 57.5° |
| N34 | C35 | S36 | C37 | 178.1° | 178.1° |
| C35 | S36 | C37 | C38 | 179.9° | 179.9° |
| S36 | C37 | C38 | H27 | 0.0° | 0.0° |
| S36 | C37 | C38 | H28 | 120.0° | 120.0° |
| S36 | C37 | C38 | H29 | 120.0° | 120.0° |
| C37 | C38 | H27 | H28 | 120.0° | 120.0° |
| C37 | C38 | H27 | H29 | 120.0° | 120.0° |
| C37 | C38 | H28 | H29 | 120.0° | 120.0° |
| H1 | C10 | C09 | H15 | 0.9° | 0.9° |
| H4 | C13 | C14 | H16 | 170.4° | 170.4° |
| H4 | C13 | C14 | H17 | 50.6° | 50.6° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H13 | C06 | C07 | H14 | 1.1° | 1.1° |
| H24 | C33 | H25 | H26 | 120.0° | 120.0° |
| H27 | C38 | H28 | H29 | 120.0° | 120.0° |
