ECM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| CL04 | C03 | sing | 1.74Å | 1.77Å | |
| C03 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| O29 | C27 | doub | 1.22Å | 1.25Å | |
| C08 | O09 | sing | 1.36Å | 1.45Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| O09 | C10 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C25 | N23 | sing | 1.35Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| C24 | N23 | sing | 1.46Å | 1.45Å | |
| C27 | C26 | sing | 1.47Å | 1.55Å | |
| C27 | O28 | sing | 1.35Å | 1.26Å | |
| N23 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| C05 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| C26 | C21 | sing | 1.47Å | 1.43Å | Aromatic |
| C13 | C36 | sing | 1.42Å | 1.45Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C37 | C36 | doub | 1.40Å | 1.41Å | Aromatic |
| C37 | C38 | sing | 1.36Å | 1.41Å | Aromatic |
| O33 | C15 | doub | 1.22Å | 1.19Å | |
| C36 | C35 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.55Å | |
| C15 | N16 | sing | 1.35Å | 1.43Å | |
| C14 | N34 | sing | 1.39Å | 1.32Å | Aromatic |
| C17 | N16 | sing | 1.40Å | 1.49Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C30 | sing | 1.45Å | 1.42Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C35 | N34 | sing | 1.37Å | 1.38Å | Aromatic |
| C35 | C41 | doub | 1.40Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| N34 | C32 | sing | 1.46Å | 1.46Å | |
| C39 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | CL40 | sing | 1.74Å | 1.73Å | |
| C41 | C42 | sing | 1.48Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C44 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | C43 | doub | 1.36Å | 1.45Å | Aromatic |
| C42 | C48 | sing | 1.41Å | 1.41Å | Aromatic |
| C43 | N45 | sing | 1.35Å | 1.31Å | Aromatic |
| C48 | C49 | sing | 1.51Å | 1.53Å | |
| C48 | N47 | doub | 1.31Å | 1.33Å | Aromatic |
| N45 | N47 | sing | 1.40Å | 1.31Å | Aromatic |
| N45 | C46 | sing | 1.46Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| C49 | H35 | sing | 1.09Å | 1.10Å | |
| C49 | H36 | sing | 1.09Å | 1.10Å | |
| C49 | H37 | sing | 1.09Å | 1.10Å | |
| C50 | H38 | sing | 1.08Å | 1.08Å | |
| O28 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C50 | 119.1° | 120.0° |
| C01 | C02 | C03 | 120.6° | 120.0° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C50 | C02 | C03 | 120.3° | 120.0° |
| C02 | C50 | C08 | 120.2° | 119.9° |
| C02 | C50 | H38 | 119.9° | 120.0° |
| C02 | C03 | CL04 | 121.3° | 120.0° |
| C02 | C03 | C05 | 119.7° | 120.1° |
| C50 | C08 | O09 | 119.1° | 120.0° |
| C50 | C08 | C07 | 119.8° | 119.9° |
| C08 | C50 | H38 | 119.9° | 120.1° |
| CL04 | C03 | C05 | 119.0° | 119.9° |
| C03 | C05 | C07 | 120.4° | 120.0° |
| C03 | C05 | C06 | 118.3° | 120.0° |
| O29 | C27 | C26 | 119.9° | 120.0° |
| O29 | C27 | O28 | 120.3° | 120.0° |
| O09 | C08 | C07 | 121.1° | 120.1° |
| C08 | O09 | C10 | 116.8° | 117.0° |
| C08 | C07 | C05 | 119.7° | 120.0° |
| C08 | C07 | H13 | 120.2° | 120.0° |
| O09 | C10 | C11 | 110.2° | 109.5° |
| O09 | C10 | H1 | 109.3° | 109.5° |
| O09 | C10 | H2 | 109.3° | 109.5° |
| C12 | C11 | C10 | 115.6° | 109.4° |
| C11 | C12 | C13 | 113.7° | 109.5° |
| C12 | C11 | H14 | 107.9° | 109.5° |
| C12 | C11 | H15 | 107.9° | 109.5° |
| C11 | C12 | H16 | 108.4° | 109.5° |
| C11 | C12 | H17 | 108.4° | 109.5° |
| C11 | C10 | H1 | 109.3° | 109.5° |
| C11 | C10 | H2 | 109.3° | 109.5° |
| C10 | C11 | H14 | 107.9° | 109.5° |
| C10 | C11 | H15 | 107.9° | 109.5° |
| C12 | C13 | C36 | 125.5° | 126.3° |
| C12 | C13 | C14 | 129.5° | 126.4° |
| C13 | C12 | H16 | 108.4° | 109.4° |
| C13 | C12 | H17 | 108.4° | 109.5° |
| N23 | C25 | C26 | 109.7° | 109.8° |
| C25 | N23 | C24 | 119.1° | 124.8° |
| C25 | N23 | C22 | 110.8° | 110.4° |
| N23 | C25 | H20 | 125.2° | 125.1° |
| C25 | C26 | C27 | 127.1° | 126.8° |
| C25 | C26 | C21 | 105.9° | 106.4° |
| C26 | C25 | H20 | 125.2° | 125.1° |
| C24 | N23 | C22 | 130.1° | 124.8° |
| N23 | C24 | H4 | 109.5° | 109.5° |
| N23 | C24 | H5 | 109.5° | 109.5° |
| N23 | C24 | H6 | 109.5° | 109.5° |
| C26 | C27 | O28 | 119.7° | 120.0° |
| C27 | C26 | C21 | 127.1° | 126.8° |
| C27 | O28 | H39 | 109.5° | 117.0° |
| N23 | C22 | C21 | 107.1° | 107.5° |
| N23 | C22 | C17 | 135.0° | 133.2° |
| C07 | C05 | C06 | 121.4° | 120.0° |
| C05 | C07 | H13 | 120.2° | 120.0° |
| C05 | C06 | H10 | 109.5° | 109.5° |
| C05 | C06 | H11 | 109.5° | 109.4° |
| C05 | C06 | H12 | 109.4° | 109.4° |
| C26 | C21 | C22 | 106.6° | 105.9° |
| C26 | C21 | C20 | 131.8° | 134.0° |
| C36 | C13 | C14 | 105.0° | 107.3° |
| C13 | C36 | C37 | 132.5° | 133.1° |
| C13 | C36 | C35 | 106.9° | 107.1° |
| C13 | C14 | C15 | 133.0° | 128.9° |
| C13 | C14 | N34 | 109.3° | 109.8° |
| C21 | C22 | C17 | 118.0° | 119.3° |
| C22 | C21 | C20 | 121.6° | 120.1° |
| C22 | C17 | N16 | 123.9° | 120.1° |
| C22 | C17 | C18 | 119.7° | 119.8° |
| C21 | C20 | C19 | 120.1° | 119.8° |
| C21 | C20 | H3 | 119.9° | 120.1° |
| C36 | C37 | C38 | 120.0° | 120.1° |
| C37 | C36 | C35 | 120.5° | 119.8° |
| C36 | C37 | H27 | 120.0° | 119.9° |
| C37 | C38 | C39 | 119.5° | 120.7° |
| C38 | C37 | H27 | 120.0° | 119.9° |
| C37 | C38 | H28 | 120.2° | 119.6° |
| O33 | C15 | C14 | 122.2° | 122.2° |
| O33 | C15 | N16 | 122.1° | 122.3° |
| C36 | C35 | N34 | 108.1° | 107.5° |
| C36 | C35 | C41 | 119.5° | 119.2° |
| C14 | C15 | N16 | 115.6° | 115.5° |
| C15 | C14 | N34 | 117.7° | 121.3° |
| C15 | N16 | C17 | 124.2° | 120.3° |
| C15 | N16 | C30 | 118.4° | 119.4° |
| C14 | N34 | C35 | 110.6° | 108.3° |
| C14 | N34 | C32 | 121.3° | 123.6° |
| N16 | C17 | C18 | 116.3° | 120.1° |
| C17 | N16 | C30 | 117.3° | 120.3° |
| C17 | C18 | C19 | 121.3° | 120.5° |
| C17 | C18 | H18 | 119.3° | 119.8° |
| N16 | C30 | C31 | 111.2° | 113.5° |
| N16 | C30 | H21 | 109.0° | 108.7° |
| N16 | C30 | H22 | 109.0° | 108.6° |
| C20 | C19 | C18 | 119.2° | 120.4° |
| C19 | C20 | H3 | 120.0° | 120.1° |
| C20 | C19 | H19 | 120.4° | 119.8° |
| C38 | C39 | C41 | 120.5° | 120.5° |
| C38 | C39 | CL40 | 119.6° | 119.7° |
| C39 | C38 | H28 | 120.2° | 119.7° |
| C30 | C31 | C32 | 105.8° | 109.8° |
| C31 | C30 | H21 | 109.0° | 108.7° |
| C31 | C30 | H22 | 109.0° | 108.7° |
| C30 | C31 | H23 | 110.4° | 109.4° |
| C30 | C31 | H24 | 110.4° | 109.4° |
| N34 | C35 | C41 | 132.3° | 133.3° |
| C35 | N34 | C32 | 128.0° | 128.0° |
| C35 | C41 | C39 | 119.9° | 119.6° |
| C35 | C41 | C42 | 119.0° | 120.2° |
| C19 | C18 | H18 | 119.3° | 119.7° |
| C18 | C19 | H19 | 120.4° | 119.9° |
| N34 | C32 | C31 | 117.7° | 109.9° |
| N34 | C32 | H25 | 107.4° | 109.4° |
| N34 | C32 | H26 | 107.4° | 109.4° |
| C41 | C39 | CL40 | 119.9° | 119.7° |
| C39 | C41 | C42 | 121.1° | 120.2° |
| C41 | C42 | C43 | 126.9° | 126.2° |
| C41 | C42 | C48 | 128.4° | 126.2° |
| C32 | C31 | H23 | 110.4° | 109.4° |
| C32 | C31 | H24 | 110.4° | 109.4° |
| C31 | C32 | H25 | 107.4° | 109.5° |
| C31 | C32 | H26 | 107.4° | 109.4° |
| C44 | C43 | C42 | 126.8° | 126.2° |
| C44 | C43 | N45 | 126.5° | 126.2° |
| C43 | C44 | H29 | 109.5° | 109.5° |
| C43 | C44 | H30 | 109.5° | 109.5° |
| C43 | C44 | H31 | 109.5° | 109.5° |
| C43 | C42 | C48 | 104.6° | 107.6° |
| C42 | C43 | N45 | 106.6° | 107.6° |
| C42 | C48 | C49 | 126.5° | 126.0° |
| C42 | C48 | N47 | 106.8° | 108.1° |
| C43 | N45 | N47 | 111.1° | 108.2° |
| C43 | N45 | C46 | 124.3° | 125.9° |
| C49 | C48 | N47 | 126.6° | 126.0° |
| C48 | C49 | H35 | 109.5° | 109.4° |
| C48 | C49 | H36 | 109.5° | 109.5° |
| C48 | C49 | H37 | 109.5° | 109.5° |
| C48 | N47 | N45 | 110.9° | 108.6° |
| N47 | N45 | C46 | 124.6° | 125.9° |
| N45 | C46 | H32 | 109.5° | 109.4° |
| N45 | C46 | H33 | 109.4° | 109.5° |
| N45 | C46 | H34 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H6 | 109.4° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C06 | H11 | 109.5° | 109.5° |
| H10 | C06 | H12 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H21 | C30 | H22 | 109.5° | 108.6° |
| H23 | C31 | H24 | 109.5° | 109.4° |
| H25 | C32 | H26 | 109.5° | 109.3° |
| H29 | C44 | H30 | 109.5° | 109.4° |
| H29 | C44 | H31 | 109.4° | 109.4° |
| H30 | C44 | H31 | 109.5° | 109.5° |
| H32 | C46 | H33 | 109.5° | 109.5° |
| H32 | C46 | H34 | 109.4° | 109.4° |
| H33 | C46 | H34 | 109.5° | 109.5° |
| H35 | C49 | H36 | 109.4° | 109.5° |
| H35 | C49 | H37 | 109.5° | 109.5° |
| H36 | C49 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C50 | C03 | 180.0° | 179.7° |
| C01 | C02 | C50 | C08 | 179.9° | 179.7° |
| C01 | C02 | C03 | CL04 | 0.2° | 0.0° |
| C01 | C02 | C03 | C05 | 179.9° | 180.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C50 | H38 | 0.1° | 0.0° |
| C02 | C50 | C08 | H38 | 180.0° | 179.8° |
| C50 | C02 | C03 | CL04 | 179.8° | 179.7° |
| C50 | C02 | C03 | C05 | 0.1° | 0.3° |
| C02 | C50 | C08 | O09 | 179.4° | 179.8° |
| C02 | C50 | C08 | C07 | 0.3° | 0.5° |
| C50 | C02 | C01 | H7 | 90.0° | 90.0° |
| C50 | C02 | C01 | H8 | 150.0° | 150.0° |
| C50 | C02 | C01 | H9 | 30.0° | 30.0° |
| C03 | C02 | C50 | C08 | 0.1° | 0.5° |
| C02 | C03 | CL04 | C05 | 179.9° | 180.0° |
| C02 | C03 | C05 | C07 | 0.0° | 0.1° |
| C02 | C03 | C05 | C06 | 179.8° | 180.0° |
| C03 | C02 | C01 | H7 | 90.0° | 89.8° |
| C03 | C02 | C01 | H8 | 30.0° | 30.3° |
| C03 | C02 | C01 | H9 | 150.0° | 150.3° |
| C03 | C02 | C50 | H38 | 179.9° | 179.7° |
| C50 | C08 | O09 | C07 | 179.0° | 179.7° |
| C50 | C08 | O09 | C10 | 120.2° | 0.3° |
| C50 | C08 | C07 | C05 | 0.4° | 0.3° |
| C50 | C08 | C07 | H13 | 179.6° | 179.8° |
| CL04 | C03 | C05 | C07 | 179.9° | 179.9° |
| CL04 | C03 | C05 | C06 | 0.1° | 0.1° |
| C03 | C05 | C07 | C08 | 0.2° | 0.1° |
| C03 | C05 | C07 | C06 | 179.8° | 179.9° |
| C03 | C05 | C06 | H10 | 90.1° | 90.0° |
| C03 | C05 | C06 | H11 | 149.9° | 150.0° |
| C03 | C05 | C06 | H12 | 29.9° | 30.0° |
| C03 | C05 | C07 | H13 | 179.8° | 180.0° |
| O29 | C27 | C26 | C25 | 88.8° | 179.8° |
| O29 | C27 | C26 | O28 | 179.5° | 180.0° |
| O29 | C27 | C26 | C21 | 91.4° | 0.1° |
| O29 | C27 | O28 | H39 | 0.0° | 0.0° |
| C08 | O09 | C10 | C11 | 172.5° | 180.0° |
| O09 | C08 | C07 | C05 | 179.4° | 180.0° |
| C08 | O09 | C10 | H1 | 52.3° | 60.0° |
| C08 | O09 | C10 | H2 | 67.4° | 60.0° |
| O09 | C08 | C07 | H13 | 0.6° | 0.1° |
| O09 | C08 | C50 | H38 | 0.6° | 0.0° |
| C07 | C08 | O09 | C10 | 60.8° | 180.0° |
| C08 | C07 | C05 | H13 | 180.0° | 179.9° |
| C08 | C07 | C05 | C06 | 179.5° | 180.0° |
| C07 | C08 | C50 | H38 | 179.7° | 179.7° |
| O09 | C10 | C11 | C12 | 19.9° | 180.0° |
| O09 | C10 | C11 | H1 | 120.1° | 120.0° |
| O09 | C10 | C11 | H2 | 120.1° | 120.0° |
| O09 | C10 | H1 | H2 | 119.6° | 120.0° |
| O09 | C10 | C11 | H14 | 140.8° | 60.0° |
| O09 | C10 | C11 | H15 | 101.0° | 60.0° |
| C12 | C11 | C10 | H14 | 120.9° | 120.0° |
| C12 | C11 | C10 | H15 | 120.9° | 120.0° |
| C11 | C12 | C13 | H16 | 120.6° | 120.0° |
| C11 | C12 | C13 | H17 | 120.6° | 120.1° |
| C11 | C12 | C13 | C36 | 97.5° | 89.9° |
| C11 | C12 | C13 | C14 | 82.2° | 89.7° |
| C12 | C11 | C10 | H1 | 140.0° | 60.0° |
| C12 | C11 | C10 | H2 | 100.2° | 60.0° |
| C12 | C11 | H14 | H15 | 117.2° | 120.0° |
| C11 | C12 | H16 | H17 | 118.1° | 120.1° |
| C10 | C11 | C12 | C13 | 82.3° | 180.0° |
| C11 | C10 | H1 | H2 | 119.7° | 120.0° |
| C10 | C11 | H14 | H15 | 117.2° | 120.0° |
| C10 | C11 | C12 | H16 | 38.4° | 60.0° |
| C10 | C11 | C12 | H17 | 157.1° | 60.0° |
| C12 | C13 | C36 | C14 | 179.8° | 179.7° |
| C12 | C13 | C36 | C37 | 0.0° | 0.4° |
| C12 | C13 | C36 | C35 | 179.6° | 179.6° |
| C12 | C13 | C14 | C15 | 2.1° | 0.3° |
| C12 | C13 | C14 | N34 | 179.8° | 179.7° |
| C13 | C12 | C11 | H14 | 38.6° | 60.0° |
| C13 | C12 | C11 | H15 | 156.9° | 60.0° |
| C13 | C12 | H16 | H17 | 118.1° | 119.9° |
| N23 | C25 | C26 | H20 | 180.0° | 179.8° |
| C25 | N23 | C24 | C22 | 179.9° | 180.0° |
| N23 | C25 | C26 | C27 | 179.8° | 179.8° |
| N23 | C25 | C26 | C21 | 0.0° | 0.4° |
| C25 | N23 | C22 | C21 | 0.0° | 0.0° |
| C25 | N23 | C22 | C17 | 179.0° | 180.0° |
| C25 | N23 | C24 | H4 | 180.0° | 90.0° |
| C25 | N23 | C24 | H5 | 60.0° | 150.0° |
| C25 | N23 | C24 | H6 | 60.0° | 30.0° |
| C26 | C25 | N23 | C24 | 179.9° | 179.7° |
| C25 | C26 | C27 | C21 | 179.8° | 179.7° |
| C25 | C26 | C27 | O28 | 91.6° | 0.2° |
| C26 | C25 | N23 | C22 | 0.0° | 0.2° |
| C25 | C26 | C21 | C22 | 0.0° | 0.4° |
| C25 | C26 | C21 | C20 | 179.8° | 179.8° |
| C24 | N23 | C22 | C21 | 179.9° | 180.0° |
| C24 | N23 | C22 | C17 | 0.9° | 0.0° |
| N23 | C24 | H4 | H5 | 120.0° | 120.0° |
| N23 | C24 | H4 | H6 | 120.0° | 120.0° |
| N23 | C24 | H5 | H6 | 120.0° | 120.0° |
| C24 | N23 | C25 | H20 | 0.1° | 0.1° |
| C27 | C26 | C21 | C22 | 179.8° | 179.9° |
| C27 | C26 | C21 | C20 | 0.4° | 0.0° |
| C27 | C26 | C25 | H20 | 0.2° | 0.0° |
| C26 | C27 | O28 | H39 | 179.5° | 179.9° |
| O28 | C27 | C26 | C21 | 88.1° | 180.0° |
| N23 | C22 | C21 | C26 | 0.0° | 0.2° |
| N23 | C22 | C21 | C17 | 179.2° | 180.0° |
| N23 | C22 | C21 | C20 | 179.8° | 179.9° |
| N23 | C22 | C17 | N16 | 2.3° | 0.1° |
| N23 | C22 | C17 | C18 | 179.6° | 179.7° |
| C22 | N23 | C24 | H4 | 0.1° | 90.0° |
| C22 | N23 | C24 | H5 | 119.9° | 30.0° |
| C22 | N23 | C24 | H6 | 120.1° | 150.0° |
| C22 | N23 | C25 | H20 | 180.0° | 180.0° |
| C07 | C05 | C06 | H10 | 90.1° | 89.9° |
| C07 | C05 | C06 | H11 | 29.9° | 30.1° |
| C07 | C05 | C06 | H12 | 149.9° | 150.1° |
| C05 | C06 | H10 | H11 | 120.0° | 120.0° |
| C05 | C06 | H10 | H12 | 120.0° | 120.0° |
| C05 | C06 | H11 | H12 | 119.9° | 120.0° |
| C06 | C05 | C07 | H13 | 0.5° | 0.1° |
| C26 | C21 | C22 | C20 | 179.8° | 179.8° |
| C26 | C21 | C22 | C17 | 179.2° | 179.8° |
| C26 | C21 | C20 | C19 | 179.9° | 180.0° |
| C26 | C21 | C20 | H3 | 0.1° | 0.2° |
| C21 | C26 | C25 | H20 | 180.0° | 179.8° |
| C13 | C36 | C37 | C35 | 179.5° | 180.0° |
| C13 | C36 | C37 | C38 | 179.7° | 179.9° |
| C36 | C13 | C14 | C15 | 178.1° | 179.9° |
| C36 | C13 | C14 | N34 | 0.5° | 0.0° |
| C13 | C36 | C35 | N34 | 0.7° | 0.1° |
| C13 | C36 | C35 | C41 | 180.0° | 180.0° |
| C36 | C13 | C12 | H16 | 23.1° | 150.1° |
| C36 | C13 | C12 | H17 | 141.9° | 30.2° |
| C13 | C36 | C37 | H27 | 0.3° | 0.1° |
| C14 | C13 | C36 | C37 | 179.8° | 179.9° |
| C13 | C14 | C15 | O33 | 50.2° | 43.2° |
| C14 | C13 | C36 | C35 | 0.2° | 0.0° |
| C13 | C14 | C15 | N34 | 177.5° | 179.9° |
| C13 | C14 | C15 | N16 | 127.2° | 136.8° |
| C13 | C14 | N34 | C35 | 0.9° | 0.1° |
| C13 | C14 | N34 | C32 | 178.4° | 179.8° |
| C14 | C13 | C12 | H16 | 157.2° | 30.4° |
| C14 | C13 | C12 | H17 | 38.4° | 150.3° |
| C21 | C22 | C17 | N16 | 178.9° | 180.0° |
| C21 | C22 | C17 | C18 | 1.5° | 0.3° |
| C22 | C21 | C20 | C19 | 0.1° | 0.2° |
| C22 | C21 | C20 | H3 | 179.9° | 180.0° |
| C17 | C22 | C21 | C20 | 0.7° | 0.1° |
| C22 | C17 | N16 | C15 | 120.4° | 89.8° |
| C22 | C17 | N16 | C18 | 177.4° | 179.7° |
| C22 | C17 | N16 | C30 | 62.8° | 90.3° |
| C22 | C17 | C18 | C19 | 1.6° | 0.3° |
| C22 | C17 | C18 | H18 | 178.4° | 179.7° |
| C21 | C20 | C19 | H3 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.1° | 0.3° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C36 | C37 | C38 | H27 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C37 | C36 | C35 | N34 | 179.6° | 179.9° |
| C37 | C36 | C35 | C41 | 0.4° | 0.1° |
| C36 | C37 | C38 | H28 | 179.8° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.0° |
| C37 | C38 | C39 | H28 | 180.0° | 180.0° |
| C37 | C38 | C39 | C41 | 0.3° | 0.0° |
| C37 | C38 | C39 | CL40 | 179.9° | 179.9° |
| O33 | C15 | C14 | N16 | 177.4° | 179.9° |
| O33 | C15 | C14 | N34 | 132.3° | 136.8° |
| O33 | C15 | N16 | C17 | 3.3° | 14.1° |
| O33 | C15 | N16 | C30 | 180.0° | 166.0° |
| C36 | C35 | N34 | C14 | 1.0° | 0.1° |
| C36 | C35 | N34 | C41 | 179.1° | 179.9° |
| C36 | C35 | N34 | C32 | 178.3° | 179.8° |
| C36 | C35 | C41 | C39 | 0.3° | 0.1° |
| C36 | C35 | C41 | C42 | 179.5° | 179.9° |
| C35 | C36 | C37 | H27 | 179.9° | 180.0° |
| C14 | C15 | N16 | C17 | 179.3° | 165.9° |
| C14 | C15 | N16 | C30 | 2.6° | 13.9° |
| C15 | C14 | N34 | C35 | 179.0° | 179.9° |
| C15 | C14 | N34 | C32 | 3.6° | 0.2° |
| N16 | C15 | C14 | N34 | 50.3° | 43.3° |
| C15 | N16 | C17 | C30 | 176.8° | 179.9° |
| C15 | N16 | C17 | C18 | 62.2° | 90.0° |
| C15 | N16 | C30 | C31 | 80.4° | 85.5° |
| C15 | N16 | C30 | H21 | 39.8° | 153.5° |
| C15 | N16 | C30 | H22 | 159.3° | 35.5° |
| C14 | N34 | C35 | C32 | 177.2° | 179.9° |
| C14 | N34 | C35 | C41 | 179.8° | 180.0° |
| C14 | N34 | C32 | C31 | 74.0° | 71.4° |
| C14 | N34 | C32 | H25 | 47.2° | 168.5° |
| C14 | N34 | C32 | H26 | 164.8° | 48.8° |
| C17 | N16 | C30 | C31 | 96.5° | 94.4° |
| N16 | C17 | C18 | C19 | 179.2° | 180.0° |
| N16 | C17 | C18 | H18 | 0.8° | 0.0° |
| C17 | N16 | C30 | H21 | 143.2° | 26.6° |
| C17 | N16 | C30 | H22 | 23.7° | 144.6° |
| C18 | C17 | N16 | C30 | 114.6° | 89.9° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.2° | 179.7° |
| N16 | C30 | C31 | H21 | 120.3° | 121.1° |
| N16 | C30 | C31 | H22 | 120.3° | 120.9° |
| N16 | C30 | C31 | C32 | 59.2° | 44.4° |
| N16 | C30 | H21 | H22 | 119.2° | 118.0° |
| N16 | C30 | C31 | H23 | 178.6° | 164.5° |
| N16 | C30 | C31 | H24 | 60.2° | 75.6° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C20 | C19 | C18 | H18 | 179.2° | 180.0° |
| C38 | C39 | C41 | C35 | 0.1° | 0.1° |
| C38 | C39 | C41 | CL40 | 179.8° | 179.9° |
| C38 | C39 | C41 | C42 | 179.9° | 179.9° |
| C39 | C38 | C37 | H27 | 179.8° | 179.9° |
| C30 | C31 | C32 | N34 | 33.1° | 42.5° |
| C30 | C31 | C32 | H23 | 119.4° | 120.1° |
| C30 | C31 | C32 | H24 | 119.4° | 120.1° |
| C31 | C30 | H21 | H22 | 119.2° | 118.1° |
| C30 | C31 | H23 | H24 | 121.7° | 119.8° |
| C30 | C31 | C32 | H25 | 88.1° | 162.6° |
| C30 | C31 | C32 | H26 | 154.3° | 77.6° |
| N34 | C35 | C41 | C39 | 179.3° | 179.8° |
| N34 | C35 | C41 | C42 | 0.5° | 0.2° |
| C35 | N34 | C32 | C31 | 109.0° | 108.5° |
| C35 | N34 | C32 | H25 | 129.8° | 11.7° |
| C35 | N34 | C32 | H26 | 12.2° | 131.4° |
| C41 | C35 | N34 | C32 | 2.6° | 0.2° |
| C35 | C41 | C39 | C42 | 179.8° | 180.0° |
| C35 | C41 | C39 | CL40 | 179.9° | 180.0° |
| C35 | C41 | C42 | C43 | 78.6° | 90.0° |
| C35 | C41 | C42 | C48 | 98.2° | 90.3° |
| C18 | C19 | C20 | H3 | 179.9° | 180.0° |
| N34 | C32 | C31 | H25 | 121.2° | 120.1° |
| N34 | C32 | C31 | H26 | 121.2° | 120.1° |
| N34 | C32 | C31 | H23 | 86.4° | 77.6° |
| N34 | C32 | C31 | H24 | 152.5° | 162.5° |
| N34 | C32 | H25 | H26 | 116.3° | 119.7° |
| C39 | C41 | C42 | C43 | 101.2° | 90.0° |
| C39 | C41 | C42 | C48 | 82.0° | 89.7° |
| C41 | C39 | C38 | H28 | 179.7° | 180.0° |
| CL40 | C39 | C41 | C42 | 0.3° | 0.0° |
| CL40 | C39 | C38 | H28 | 0.1° | 0.1° |
| C41 | C42 | C43 | C44 | 2.1° | 0.1° |
| C41 | C42 | C43 | C48 | 177.5° | 179.8° |
| C41 | C42 | C43 | N45 | 178.4° | 180.0° |
| C41 | C42 | C48 | C49 | 2.3° | 0.0° |
| C41 | C42 | C48 | N47 | 178.5° | 180.0° |
| C32 | C31 | C30 | H21 | 61.0° | 165.5° |
| C32 | C31 | C30 | H22 | 179.5° | 76.5° |
| C32 | C31 | H23 | H24 | 121.7° | 119.9° |
| C31 | C32 | H25 | H26 | 116.3° | 119.9° |
| C44 | C43 | C42 | N45 | 179.5° | 179.9° |
| C44 | C43 | C42 | C48 | 179.6° | 179.7° |
| C44 | C43 | N45 | N47 | 180.0° | 179.8° |
| C44 | C43 | N45 | C46 | 0.2° | 0.1° |
| C43 | C44 | H29 | H30 | 120.0° | 120.0° |
| C43 | C44 | H29 | H31 | 120.0° | 120.0° |
| C43 | C44 | H30 | H31 | 120.0° | 120.0° |
| C43 | C42 | C48 | C49 | 179.7° | 179.8° |
| C43 | C42 | C48 | N47 | 1.0° | 0.2° |
| C42 | C43 | N45 | N47 | 0.5° | 0.1° |
| C42 | C43 | N45 | C46 | 179.3° | 180.0° |
| C42 | C43 | C44 | H29 | 90.3° | 89.9° |
| C42 | C43 | C44 | H30 | 149.7° | 150.0° |
| C42 | C43 | C44 | H31 | 29.7° | 30.0° |
| C48 | C42 | C43 | N45 | 0.9° | 0.2° |
| C42 | C48 | C49 | N47 | 179.1° | 180.0° |
| C42 | C48 | N47 | N45 | 0.8° | 0.1° |
| C42 | C48 | C49 | H35 | 179.1° | 90.0° |
| C42 | C48 | C49 | H36 | 60.9° | 150.0° |
| C42 | C48 | C49 | H37 | 59.1° | 30.0° |
| C43 | N45 | N47 | C48 | 0.2° | 0.0° |
| C43 | N45 | N47 | C46 | 179.8° | 179.9° |
| N45 | C43 | C44 | H29 | 90.3° | 89.9° |
| N45 | C43 | C44 | H30 | 29.7° | 30.1° |
| N45 | C43 | C44 | H31 | 149.7° | 150.1° |
| C43 | N45 | C46 | H32 | 179.8° | 90.0° |
| C43 | N45 | C46 | H33 | 59.8° | 150.0° |
| C43 | N45 | C46 | H34 | 60.2° | 29.9° |
| C49 | C48 | N47 | N45 | 180.0° | 179.9° |
| C48 | C49 | H35 | H36 | 120.0° | 120.0° |
| C48 | C49 | H35 | H37 | 120.0° | 120.0° |
| C48 | C49 | H36 | H37 | 120.0° | 120.0° |
| C48 | N47 | N45 | C46 | 180.0° | 179.9° |
| N47 | C48 | C49 | H35 | 0.0° | 90.0° |
| N47 | C48 | C49 | H36 | 120.0° | 30.0° |
| N47 | C48 | C49 | H37 | 120.0° | 150.0° |
| N47 | N45 | C46 | H32 | 0.0° | 89.8° |
| N47 | N45 | C46 | H33 | 120.0° | 30.2° |
| N47 | N45 | C46 | H34 | 120.0° | 150.3° |
| N45 | C46 | H32 | H33 | 120.0° | 120.0° |
| N45 | C46 | H32 | H34 | 120.0° | 120.0° |
| N45 | C46 | H33 | H34 | 120.0° | 120.1° |
| H1 | C10 | C11 | H14 | 99.1° | 60.0° |
| H1 | C10 | C11 | H15 | 19.1° | 180.0° |
| H2 | C10 | C11 | H14 | 20.7° | 180.0° |
| H2 | C10 | C11 | H15 | 138.9° | 60.0° |
| H3 | C20 | C19 | H19 | 0.1° | 0.3° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H7 | C01 | H8 | H9 | 120.0° | 119.9° |
| H10 | C06 | H11 | H12 | 120.0° | 120.1° |
| H14 | C11 | C12 | H16 | 159.3° | 60.0° |
| H14 | C11 | C12 | H17 | 82.0° | 180.0° |
| H15 | C11 | C12 | H16 | 82.5° | 180.0° |
| H15 | C11 | C12 | H17 | 36.2° | 60.0° |
| H18 | C18 | C19 | H19 | 0.8° | 0.3° |
| H21 | C30 | C31 | H23 | 58.4° | 74.4° |
| H21 | C30 | C31 | H24 | 179.5° | 45.4° |
| H22 | C30 | C31 | H23 | 61.1° | 43.6° |
| H22 | C30 | C31 | H24 | 60.1° | 163.4° |
| H23 | C31 | C32 | H25 | 152.5° | 42.5° |
| H23 | C31 | C32 | H26 | 34.8° | 162.3° |
| H24 | C31 | C32 | H25 | 31.3° | 77.4° |
| H24 | C31 | C32 | H26 | 86.3° | 42.4° |
| H27 | C37 | C38 | H28 | 0.2° | 0.0° |
| H29 | C44 | H30 | H31 | 119.9° | 119.9° |
| H32 | C46 | H33 | H34 | 120.0° | 119.9° |
| H35 | C49 | H36 | H37 | 120.0° | 120.0° |
