7YW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| CL1 | C2 | sing | 1.74Å | 1.80Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| O32 | C8 | sing | 1.43Å | 1.43Å | |
| O32 | C30 | sing | 1.43Å | 1.43Å | |
| C8 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | C16 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C30 | sing | 1.53Å | 1.53Å | |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| C23 | C35 | sing | 1.53Å | 1.53Å | |
| O38 | C15 | doub | 1.21Å | 1.23Å | |
| C30 | C11 | sing | 1.53Å | 1.53Å | |
| O29 | C9 | doub | 1.22Å | 1.23Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C14 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.35Å | 1.34Å | |
| C9 | O8 | sing | 1.35Å | 1.46Å | |
| C7 | O8 | sing | 1.45Å | 1.43Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| N16 | C17 | sing | 1.46Å | 1.46Å | |
| C17 | C27 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.51Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.08Å | 1.08Å | |
| C6 | H38 | sing | 1.08Å | 1.08Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| N13 | H42 | sing | 0.97Å | 1.00Å | |
| N16 | H43 | sing | 0.97Å | 1.00Å | |
| N23 | H44 | sing | 0.97Å | 1.00Å | |
| O28 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 119.7° | 120.0° |
| C1 | C6 | C5 | 118.9° | 120.0° |
| C6 | C1 | H1 | 120.2° | 120.0° |
| C1 | C6 | H38 | 120.5° | 120.0° |
| C1 | C2 | CL1 | 119.5° | 120.0° |
| C1 | C2 | C3 | 120.9° | 120.0° |
| C2 | C1 | H1 | 120.2° | 120.0° |
| C6 | C5 | C4 | 122.0° | 120.0° |
| C6 | C5 | H37 | 119.0° | 120.0° |
| C5 | C6 | H38 | 120.6° | 120.0° |
| CL1 | C2 | C3 | 119.5° | 120.0° |
| C10 | C8 | O32 | 107.0° | 109.5° |
| C10 | C8 | C13 | 109.5° | 109.4° |
| C10 | C8 | C16 | 109.2° | 109.5° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.4° | 109.4° |
| C8 | C10 | H4 | 109.5° | 109.4° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | H29 | 120.0° | 120.0° |
| C5 | C4 | C3 | 118.5° | 120.0° |
| C5 | C4 | C7 | 120.9° | 120.0° |
| C4 | C5 | H37 | 119.0° | 120.0° |
| C8 | O32 | C30 | 117.1° | 114.0° |
| O32 | C8 | C13 | 110.7° | 109.5° |
| O32 | C8 | C16 | 110.5° | 109.5° |
| O32 | C30 | C18 | 108.4° | 109.5° |
| O32 | C30 | C11 | 109.9° | 109.5° |
| O32 | C30 | H30 | 109.9° | 109.5° |
| C13 | C8 | C16 | 109.7° | 109.4° |
| C8 | C13 | H6 | 109.5° | 109.5° |
| C8 | C13 | H7 | 109.4° | 109.5° |
| C8 | C13 | H8 | 109.4° | 109.5° |
| C8 | C16 | H10 | 109.5° | 109.4° |
| C8 | C16 | H11 | 109.5° | 109.5° |
| C8 | C16 | H12 | 109.5° | 109.5° |
| C3 | C4 | C7 | 120.6° | 120.0° |
| C4 | C3 | H29 | 120.0° | 120.0° |
| C18 | C30 | C11 | 111.5° | 109.5° |
| C30 | C18 | H14 | 109.5° | 109.4° |
| C30 | C18 | H15 | 109.5° | 109.5° |
| C30 | C18 | H16 | 109.5° | 109.5° |
| C18 | C30 | H30 | 108.5° | 109.5° |
| C4 | C7 | O8 | 115.0° | 109.5° |
| C4 | C7 | H39 | 108.1° | 109.4° |
| C4 | C7 | H40 | 108.1° | 109.5° |
| C23 | C35 | C34 | 112.4° | 109.4° |
| C23 | C35 | C37 | 111.1° | 109.5° |
| C35 | C23 | H24 | 109.5° | 109.5° |
| C35 | C23 | H25 | 109.5° | 109.5° |
| C35 | C23 | H26 | 109.5° | 109.5° |
| C23 | C35 | H33 | 107.3° | 109.5° |
| O38 | C15 | C14 | 119.8° | 119.9° |
| O38 | C15 | N16 | 122.9° | 120.0° |
| C30 | C11 | C12 | 108.2° | 109.5° |
| C30 | C11 | N10 | 111.7° | 109.5° |
| C30 | C11 | H5 | 108.7° | 109.5° |
| C11 | C30 | H30 | 108.5° | 109.5° |
| O29 | C9 | N10 | 125.2° | 120.0° |
| O29 | C9 | O8 | 115.6° | 120.0° |
| C35 | C34 | C14 | 110.6° | 109.5° |
| C34 | C35 | C37 | 111.3° | 109.5° |
| C35 | C34 | H31 | 109.2° | 109.5° |
| C35 | C34 | H32 | 109.2° | 109.5° |
| C34 | C35 | H33 | 107.2° | 109.5° |
| C34 | C14 | N13 | 108.9° | 109.5° |
| C34 | C14 | C15 | 109.9° | 109.5° |
| C34 | C14 | H9 | 108.5° | 109.5° |
| C14 | C34 | H31 | 109.2° | 109.4° |
| C14 | C34 | H32 | 109.2° | 109.4° |
| C12 | C11 | N10 | 109.5° | 109.4° |
| C11 | C12 | N13 | 117.6° | 120.0° |
| C11 | C12 | O33 | 119.3° | 120.0° |
| C12 | C11 | H5 | 109.1° | 109.5° |
| C11 | N10 | C9 | 124.9° | 120.0° |
| N10 | C11 | H5 | 109.6° | 109.5° |
| C11 | N10 | H41 | 117.6° | 120.0° |
| C12 | N13 | C14 | 121.5° | 120.0° |
| N13 | C12 | O33 | 123.0° | 120.0° |
| C12 | N13 | H42 | 119.2° | 120.0° |
| N13 | C14 | C15 | 111.0° | 109.5° |
| N13 | C14 | H9 | 109.6° | 109.4° |
| C14 | N13 | H42 | 119.3° | 120.0° |
| C37 | C35 | H33 | 107.2° | 109.5° |
| C35 | C37 | H34 | 109.5° | 109.5° |
| C35 | C37 | H35 | 109.5° | 109.5° |
| C35 | C37 | H36 | 109.4° | 109.5° |
| N10 | C9 | O8 | 119.1° | 120.0° |
| C9 | N10 | H41 | 117.5° | 120.0° |
| C9 | O8 | C7 | 117.3° | 117.0° |
| O8 | C7 | H39 | 108.1° | 109.4° |
| O8 | C7 | H40 | 108.1° | 109.5° |
| C14 | C15 | N16 | 117.3° | 120.0° |
| C15 | C14 | H9 | 108.9° | 109.5° |
| C15 | N16 | C17 | 121.5° | 120.0° |
| C15 | N16 | H43 | 119.3° | 120.0° |
| C22 | C21 | C20 | 105.7° | 101.7° |
| C21 | C22 | N23 | 104.7° | 105.5° |
| C22 | C21 | H20 | 110.4° | 111.0° |
| C22 | C21 | H21 | 110.4° | 111.0° |
| C21 | C22 | H22 | 110.7° | 110.3° |
| C21 | C22 | H23 | 110.6° | 110.2° |
| C21 | C20 | C19 | 111.0° | 110.5° |
| C21 | C20 | C24 | 102.9° | 104.2° |
| C21 | C20 | H19 | 109.7° | 110.6° |
| C20 | C21 | H20 | 110.4° | 111.0° |
| C20 | C21 | H21 | 110.4° | 111.0° |
| C22 | N23 | C24 | 112.3° | 111.3° |
| N23 | C22 | H22 | 110.7° | 110.3° |
| N23 | C22 | H23 | 110.7° | 110.2° |
| C22 | N23 | H44 | 123.9° | 124.4° |
| N16 | C17 | C27 | 109.2° | 109.5° |
| N16 | C17 | C19 | 111.8° | 109.5° |
| N16 | C17 | H13 | 108.6° | 109.5° |
| C17 | N16 | H43 | 119.3° | 120.0° |
| C27 | C17 | C19 | 111.7° | 109.5° |
| C17 | C27 | O28 | 108.9° | 109.5° |
| C27 | C17 | H13 | 107.7° | 109.5° |
| C17 | C27 | H27 | 109.6° | 109.5° |
| C17 | C27 | H28 | 109.6° | 109.5° |
| C17 | C19 | C20 | 111.9° | 109.5° |
| C19 | C17 | H13 | 107.6° | 109.4° |
| C17 | C19 | H17 | 108.9° | 109.4° |
| C17 | C19 | H18 | 108.9° | 109.5° |
| O28 | C27 | H27 | 109.6° | 109.5° |
| O28 | C27 | H28 | 109.6° | 109.4° |
| C27 | O28 | H45 | 109.5° | 114.0° |
| C19 | C20 | C24 | 113.3° | 110.5° |
| C20 | C19 | H17 | 108.9° | 109.4° |
| C20 | C19 | H18 | 108.8° | 109.5° |
| C19 | C20 | H19 | 109.7° | 110.4° |
| C20 | C24 | N23 | 111.2° | 110.1° |
| C20 | C24 | O26 | 123.0° | 125.0° |
| C24 | C20 | H19 | 110.0° | 110.5° |
| N23 | C24 | O26 | 125.8° | 124.9° |
| C24 | N23 | H44 | 123.8° | 124.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.4° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H10 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H12 | 109.4° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.4° |
| H14 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H17 | C19 | H18 | 109.4° | 109.4° |
| H20 | C21 | H21 | 109.5° | 110.9° |
| H22 | C22 | H23 | 109.5° | 110.3° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H26 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.4° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H34 | C37 | H36 | 109.5° | 109.4° |
| H35 | C37 | H36 | 109.5° | 109.4° |
| H39 | C7 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | H38 | 180.0° | 180.0° |
| C6 | C1 | C2 | CL1 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H37 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | CL1 | C3 | 179.8° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | H29 | 179.3° | 179.9° |
| C2 | C1 | C6 | H38 | 179.9° | 180.0° |
| C6 | C5 | C4 | H37 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C6 | C5 | C4 | C7 | 178.9° | 180.0° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| CL1 | C2 | C3 | C4 | 179.4° | 179.9° |
| CL1 | C2 | C1 | H1 | 0.1° | 0.3° |
| CL1 | C2 | C3 | H29 | 0.6° | 0.0° |
| C10 | C8 | O32 | C13 | 119.3° | 120.0° |
| C10 | C8 | O32 | C16 | 118.9° | 120.1° |
| C10 | C8 | O32 | C30 | 176.3° | 55.4° |
| C10 | C8 | C13 | C16 | 119.9° | 120.0° |
| C8 | C10 | H2 | H3 | 120.0° | 120.0° |
| C8 | C10 | H2 | H4 | 120.0° | 120.0° |
| C8 | C10 | H3 | H4 | 120.0° | 119.9° |
| C10 | C8 | C13 | H6 | 180.0° | 65.8° |
| C10 | C8 | C13 | H7 | 60.0° | 174.1° |
| C10 | C8 | C13 | H8 | 60.0° | 54.2° |
| C10 | C8 | C16 | H10 | 180.0° | 60.0° |
| C10 | C8 | C16 | H11 | 60.0° | 180.0° |
| C10 | C8 | C16 | H12 | 60.0° | 60.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | H29 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 179.2° | 180.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.7° |
| C5 | C4 | C3 | C7 | 178.3° | 180.0° |
| C5 | C4 | C7 | O8 | 128.7° | 90.0° |
| C5 | C4 | C3 | H29 | 179.1° | 179.9° |
| C4 | C5 | C6 | H38 | 179.9° | 180.0° |
| C5 | C4 | C7 | H39 | 110.4° | 29.9° |
| C5 | C4 | C7 | H40 | 8.0° | 150.0° |
| O32 | C8 | C13 | C16 | 122.3° | 120.0° |
| C8 | O32 | C30 | C18 | 111.3° | 98.6° |
| C8 | O32 | C30 | C11 | 126.6° | 141.4° |
| O32 | C8 | C10 | H2 | 180.0° | 66.0° |
| O32 | C8 | C10 | H3 | 60.0° | 54.0° |
| O32 | C8 | C10 | H4 | 60.0° | 174.0° |
| O32 | C8 | C13 | H6 | 62.2° | 174.2° |
| O32 | C8 | C13 | H7 | 57.8° | 54.1° |
| O32 | C8 | C13 | H8 | 177.8° | 65.8° |
| O32 | C8 | C16 | H10 | 62.5° | 60.0° |
| O32 | C8 | C16 | H11 | 177.5° | 60.0° |
| O32 | C8 | C16 | H12 | 57.5° | 180.0° |
| C8 | O32 | C30 | H30 | 7.2° | 21.4° |
| C30 | O32 | C8 | C13 | 57.0° | 64.6° |
| C30 | O32 | C8 | C16 | 64.8° | 175.4° |
| O32 | C30 | C18 | C11 | 121.1° | 120.0° |
| O32 | C30 | C18 | H30 | 119.4° | 120.0° |
| O32 | C30 | C11 | H30 | 120.3° | 120.0° |
| O32 | C30 | C11 | C12 | 162.9° | 60.0° |
| O32 | C30 | C11 | N10 | 76.5° | 59.9° |
| O32 | C30 | C11 | H5 | 44.6° | 179.9° |
| O32 | C30 | C18 | H14 | 180.0° | 53.8° |
| O32 | C30 | C18 | H15 | 60.0° | 66.1° |
| O32 | C30 | C18 | H16 | 60.0° | 173.8° |
| C13 | C8 | C10 | H2 | 59.9° | 54.0° |
| C13 | C8 | C10 | H3 | 60.1° | 174.0° |
| C13 | C8 | C10 | H4 | 179.9° | 66.0° |
| C8 | C13 | H6 | H7 | 120.0° | 120.0° |
| C8 | C13 | H6 | H8 | 120.0° | 120.0° |
| C8 | C13 | H7 | H8 | 120.0° | 119.9° |
| C13 | C8 | C16 | H10 | 59.9° | 180.0° |
| C13 | C8 | C16 | H11 | 60.1° | 60.0° |
| C13 | C8 | C16 | H12 | 179.9° | 60.0° |
| C16 | C8 | C10 | H2 | 60.3° | 174.0° |
| C16 | C8 | C10 | H3 | 179.7° | 66.0° |
| C16 | C8 | C10 | H4 | 59.7° | 54.0° |
| C16 | C8 | C13 | H6 | 60.1° | 54.2° |
| C16 | C8 | C13 | H7 | 179.9° | 65.9° |
| C16 | C8 | C13 | H8 | 59.9° | 174.2° |
| C8 | C16 | H10 | H11 | 120.0° | 120.0° |
| C8 | C16 | H10 | H12 | 120.0° | 120.0° |
| C8 | C16 | H11 | H12 | 120.0° | 120.0° |
| C3 | C4 | C7 | O8 | 53.1° | 90.0° |
| C3 | C4 | C5 | H37 | 179.4° | 180.0° |
| C3 | C4 | C7 | H39 | 67.8° | 150.1° |
| C3 | C4 | C7 | H40 | 173.8° | 30.0° |
| C18 | C30 | C11 | H30 | 119.5° | 120.0° |
| C18 | C30 | C11 | C12 | 42.7° | 179.9° |
| C18 | C30 | C11 | N10 | 163.2° | 60.1° |
| C18 | C30 | C11 | H5 | 75.7° | 59.9° |
| C30 | C18 | H14 | H15 | 120.0° | 120.0° |
| C30 | C18 | H14 | H16 | 120.0° | 120.0° |
| C30 | C18 | H15 | H16 | 120.0° | 120.1° |
| C4 | C7 | O8 | C9 | 81.8° | 180.0° |
| C4 | C7 | O8 | H39 | 120.8° | 119.9° |
| C4 | C7 | O8 | H40 | 120.8° | 120.0° |
| C7 | C4 | C3 | H29 | 0.8° | 0.0° |
| C7 | C4 | C5 | H37 | 1.1° | 0.0° |
| C4 | C7 | H39 | H40 | 117.5° | 120.0° |
| C23 | C35 | C34 | C37 | 125.4° | 120.0° |
| C23 | C35 | C34 | H33 | 117.7° | 120.0° |
| C23 | C35 | C34 | C14 | 173.6° | 172.7° |
| C23 | C35 | C37 | H33 | 117.0° | 120.0° |
| C35 | C23 | H24 | H25 | 120.0° | 120.0° |
| C35 | C23 | H24 | H26 | 120.0° | 120.0° |
| C35 | C23 | H25 | H26 | 120.0° | 120.0° |
| C23 | C35 | C34 | H31 | 66.2° | 67.4° |
| C23 | C35 | C34 | H32 | 53.5° | 52.7° |
| C23 | C35 | C37 | H34 | 180.0° | 54.3° |
| C23 | C35 | C37 | H35 | 60.0° | 174.4° |
| C23 | C35 | C37 | H36 | 60.0° | 65.7° |
| O38 | C15 | C14 | C34 | 73.9° | 96.8° |
| O38 | C15 | C14 | N13 | 46.7° | 23.2° |
| O38 | C15 | C14 | N16 | 179.8° | 180.0° |
| O38 | C15 | N16 | C17 | 1.5° | 5.1° |
| O38 | C15 | C14 | H9 | 167.4° | 143.2° |
| O38 | C15 | N16 | H43 | 178.6° | 174.9° |
| C30 | C11 | C12 | N10 | 122.0° | 120.0° |
| C30 | C11 | C12 | H5 | 118.0° | 120.0° |
| C30 | C11 | N10 | H5 | 120.5° | 120.0° |
| C30 | C11 | C12 | N13 | 125.1° | 68.9° |
| C30 | C11 | N10 | C9 | 119.7° | 96.6° |
| C30 | C11 | C12 | O33 | 54.6° | 111.2° |
| C11 | C30 | C18 | H14 | 58.9° | 66.2° |
| C11 | C30 | C18 | H15 | 61.1° | 173.9° |
| C11 | C30 | C18 | H16 | 178.9° | 53.8° |
| C30 | C11 | N10 | H41 | 60.3° | 83.4° |
| O29 | C9 | N10 | C11 | 29.8° | 5.0° |
| O29 | C9 | N10 | O8 | 179.2° | 180.0° |
| O29 | C9 | O8 | C7 | 7.8° | 0.0° |
| O29 | C9 | N10 | H41 | 150.2° | 175.0° |
| C35 | C34 | C14 | H31 | 120.2° | 120.0° |
| C35 | C34 | C14 | H32 | 120.2° | 120.0° |
| C35 | C34 | C14 | N13 | 65.0° | 178.5° |
| C34 | C35 | C37 | H33 | 116.9° | 120.0° |
| C35 | C34 | C14 | C15 | 173.2° | 61.4° |
| C35 | C34 | C14 | H9 | 54.2° | 58.6° |
| C34 | C35 | C23 | H24 | 180.0° | 59.9° |
| C34 | C35 | C23 | H25 | 60.0° | 180.0° |
| C34 | C35 | C23 | H26 | 60.0° | 60.0° |
| C35 | C34 | H31 | H32 | 119.5° | 120.1° |
| C34 | C35 | C37 | H34 | 53.9° | 174.3° |
| C34 | C35 | C37 | H35 | 173.9° | 65.6° |
| C34 | C35 | C37 | H36 | 66.1° | 54.3° |
| C34 | C14 | N13 | C12 | 171.1° | 86.9° |
| C34 | C14 | N13 | C15 | 121.1° | 120.0° |
| C34 | C14 | N13 | H9 | 118.5° | 120.0° |
| C14 | C34 | C35 | C37 | 61.0° | 67.3° |
| C34 | C14 | C15 | H9 | 118.7° | 120.0° |
| C34 | C14 | C15 | N16 | 105.9° | 83.1° |
| C14 | C34 | H31 | H32 | 119.5° | 120.0° |
| C14 | C34 | C35 | H33 | 56.0° | 52.7° |
| C34 | C14 | N13 | H42 | 8.9° | 93.1° |
| C12 | C11 | N10 | H5 | 119.7° | 120.0° |
| C11 | C12 | N13 | O33 | 179.7° | 179.9° |
| C11 | C12 | N13 | C14 | 176.8° | 175.0° |
| C12 | C11 | N10 | C9 | 120.5° | 143.4° |
| C12 | C11 | C30 | H30 | 76.8° | 60.0° |
| C12 | C11 | N10 | H41 | 59.5° | 36.6° |
| C11 | C12 | N13 | H42 | 3.2° | 5.1° |
| N10 | C11 | C12 | N13 | 112.9° | 171.1° |
| C11 | N10 | C9 | H41 | 180.0° | 180.0° |
| C11 | N10 | C9 | O8 | 149.4° | 175.0° |
| N10 | C11 | C12 | O33 | 67.4° | 8.8° |
| N10 | C11 | C30 | H30 | 43.7° | 179.9° |
| C12 | N13 | C14 | H42 | 180.0° | 179.9° |
| C12 | N13 | C14 | C15 | 67.8° | 153.1° |
| N13 | C12 | C11 | H5 | 7.1° | 51.1° |
| C12 | N13 | C14 | H9 | 52.6° | 33.1° |
| C14 | N13 | C12 | O33 | 3.4° | 4.9° |
| N13 | C14 | C15 | H9 | 120.8° | 120.0° |
| N13 | C14 | C15 | N16 | 133.6° | 156.9° |
| N13 | C14 | C34 | H31 | 174.8° | 58.6° |
| N13 | C14 | C34 | H32 | 55.1° | 61.4° |
| C37 | C35 | C23 | H24 | 54.5° | 180.0° |
| C37 | C35 | C23 | H25 | 174.5° | 60.0° |
| C37 | C35 | C23 | H26 | 65.5° | 60.0° |
| C37 | C35 | C34 | H31 | 59.2° | 52.7° |
| C37 | C35 | C34 | H32 | 178.9° | 172.7° |
| C35 | C37 | H34 | H35 | 120.0° | 120.1° |
| C35 | C37 | H34 | H36 | 120.0° | 120.0° |
| C35 | C37 | H35 | H36 | 120.0° | 120.0° |
| N10 | C9 | O8 | C7 | 171.4° | 180.0° |
| C9 | N10 | C11 | H5 | 0.8° | 23.4° |
| C9 | O8 | C7 | H39 | 157.3° | 60.0° |
| C9 | O8 | C7 | H40 | 39.0° | 60.0° |
| O8 | C9 | N10 | H41 | 30.6° | 5.0° |
| O8 | C7 | H39 | H40 | 117.5° | 120.1° |
| O33 | C12 | C11 | H5 | 172.6° | 128.8° |
| O33 | C12 | N13 | H42 | 176.6° | 175.0° |
| C14 | C15 | N16 | C17 | 178.3° | 175.0° |
| C15 | C14 | C34 | H31 | 53.0° | 178.6° |
| C15 | C14 | C34 | H32 | 66.7° | 58.6° |
| C15 | C14 | N13 | H42 | 112.2° | 26.9° |
| C14 | C15 | N16 | H43 | 1.7° | 5.1° |
| C15 | N16 | C17 | H43 | 180.0° | 180.0° |
| C15 | N16 | C17 | C27 | 118.5° | 85.0° |
| C15 | N16 | C17 | C19 | 117.4° | 155.0° |
| N16 | C15 | C14 | H9 | 12.8° | 36.9° |
| C15 | N16 | C17 | H13 | 1.2° | 35.0° |
| C22 | C21 | C20 | H20 | 119.4° | 118.1° |
| C22 | C21 | C20 | H21 | 119.4° | 118.1° |
| C21 | C22 | N23 | H22 | 119.3° | 119.1° |
| C21 | C22 | N23 | H23 | 119.2° | 119.0° |
| C22 | C21 | C20 | C19 | 139.2° | 93.9° |
| C22 | C21 | C20 | C24 | 17.7° | 24.8° |
| C21 | C22 | N23 | C24 | 8.7° | 17.1° |
| C22 | C21 | C20 | H19 | 99.4° | 143.6° |
| C22 | C21 | H20 | H21 | 121.8° | 123.8° |
| C21 | C22 | H22 | H23 | 122.1° | 121.9° |
| C21 | C22 | N23 | H44 | 171.4° | 163.0° |
| C20 | C21 | C22 | N23 | 16.4° | 25.5° |
| C21 | C20 | C19 | C17 | 65.7° | 178.8° |
| C21 | C20 | C19 | C24 | 115.2° | 114.8° |
| C21 | C20 | C19 | H19 | 121.4° | 122.6° |
| C21 | C20 | C24 | H19 | 116.8° | 118.8° |
| C21 | C20 | C24 | N23 | 13.3° | 16.3° |
| C21 | C20 | C24 | O26 | 168.3° | 163.7° |
| C21 | C20 | C19 | H17 | 173.9° | 61.3° |
| C21 | C20 | C19 | H18 | 54.7° | 58.7° |
| C20 | C21 | H20 | H21 | 121.7° | 123.9° |
| C20 | C21 | C22 | H22 | 135.7° | 93.6° |
| C20 | C21 | C22 | H23 | 102.8° | 144.4° |
| C22 | N23 | C24 | C20 | 3.0° | 0.4° |
| C22 | N23 | C24 | H44 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 178.6° | 179.6° |
| N23 | C22 | C21 | H20 | 135.8° | 143.6° |
| N23 | C22 | C21 | H21 | 103.0° | 92.7° |
| N23 | C22 | H22 | H23 | 122.2° | 122.0° |
| N16 | C17 | C27 | C19 | 124.2° | 120.0° |
| N16 | C17 | C27 | H13 | 117.8° | 120.0° |
| N16 | C17 | C19 | H13 | 119.2° | 120.0° |
| N16 | C17 | C27 | O28 | 167.1° | 65.0° |
| N16 | C17 | C19 | C20 | 64.3° | 64.9° |
| N16 | C17 | C19 | H17 | 56.0° | 55.0° |
| N16 | C17 | C19 | H18 | 175.3° | 175.0° |
| N16 | C17 | C27 | H27 | 73.0° | 55.0° |
| N16 | C17 | C27 | H28 | 47.2° | 175.0° |
| C27 | C17 | C19 | H13 | 118.1° | 120.0° |
| C17 | C27 | O28 | H27 | 119.9° | 120.0° |
| C17 | C27 | O28 | H28 | 119.9° | 120.0° |
| C27 | C17 | C19 | C20 | 172.9° | 175.0° |
| C27 | C17 | C19 | H17 | 66.7° | 65.0° |
| C27 | C17 | C19 | H18 | 52.6° | 55.0° |
| C17 | C27 | H27 | H28 | 120.2° | 120.0° |
| C27 | C17 | N16 | H43 | 61.5° | 95.0° |
| C17 | C27 | O28 | H45 | 180.0° | 180.0° |
| C19 | C17 | C27 | O28 | 68.7° | 55.0° |
| C17 | C19 | C20 | H17 | 120.4° | 120.0° |
| C17 | C19 | C20 | H18 | 120.4° | 120.1° |
| C17 | C19 | C20 | C24 | 179.1° | 66.4° |
| C17 | C19 | H17 | H18 | 118.9° | 120.0° |
| C17 | C19 | C20 | H19 | 55.7° | 56.1° |
| C19 | C17 | C27 | H27 | 51.2° | 175.0° |
| C19 | C17 | C27 | H28 | 171.4° | 65.0° |
| C19 | C17 | N16 | H43 | 62.6° | 25.1° |
| O28 | C27 | C17 | H13 | 49.3° | 175.0° |
| O28 | C27 | H27 | H28 | 120.3° | 120.0° |
| C19 | C20 | C24 | H19 | 123.2° | 122.5° |
| C19 | C20 | C24 | N23 | 133.2° | 102.5° |
| C19 | C20 | C24 | O26 | 48.3° | 77.5° |
| C20 | C19 | C17 | H13 | 54.9° | 55.0° |
| C20 | C19 | H17 | H18 | 118.9° | 120.0° |
| C19 | C20 | C21 | H20 | 101.4° | 24.2° |
| C19 | C20 | C21 | H21 | 19.8° | 148.0° |
| C20 | C24 | N23 | O26 | 178.4° | 180.0° |
| C24 | C20 | C19 | H17 | 58.7° | 53.6° |
| C24 | C20 | C19 | H18 | 60.5° | 173.5° |
| C24 | C20 | C21 | H20 | 137.1° | 142.9° |
| C24 | C20 | C21 | H21 | 101.7° | 93.3° |
| C20 | C24 | N23 | H44 | 176.9° | 179.6° |
| N23 | C24 | C20 | H19 | 103.5° | 135.1° |
| C24 | N23 | C22 | H22 | 127.9° | 102.0° |
| C24 | N23 | C22 | H23 | 110.6° | 136.0° |
| O26 | C24 | C20 | H19 | 74.9° | 44.9° |
| O26 | C24 | N23 | H44 | 1.4° | 0.4° |
| H1 | C1 | C6 | H38 | 0.1° | 0.3° |
| H2 | C10 | H3 | H4 | 120.0° | 120.1° |
| H5 | C11 | C30 | H30 | 164.8° | 60.1° |
| H5 | C11 | N10 | H41 | 179.2° | 156.6° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C14 | C34 | H31 | 66.0° | 61.4° |
| H9 | C14 | C34 | H32 | 174.3° | 178.6° |
| H9 | C14 | N13 | H42 | 127.4° | 146.8° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H13 | C17 | C19 | H17 | 175.3° | 175.0° |
| H13 | C17 | C19 | H18 | 65.5° | 65.0° |
| H13 | C17 | C27 | H27 | 169.2° | 65.0° |
| H13 | C17 | C27 | H28 | 70.6° | 55.0° |
| H13 | C17 | N16 | H43 | 178.7° | 145.0° |
| H14 | C18 | H15 | H16 | 120.0° | 120.0° |
| H14 | C18 | C30 | H30 | 60.6° | 173.8° |
| H15 | C18 | C30 | H30 | 179.4° | 53.9° |
| H16 | C18 | C30 | H30 | 59.4° | 66.2° |
| H17 | C19 | C20 | H19 | 64.7° | 176.1° |
| H18 | C19 | C20 | H19 | 176.1° | 63.9° |
| H19 | C20 | C21 | H20 | 20.1° | 98.3° |
| H19 | C20 | C21 | H21 | 141.2° | 25.5° |
| H20 | C21 | C22 | H22 | 104.9° | 24.5° |
| H20 | C21 | C22 | H23 | 16.6° | 97.5° |
| H21 | C21 | C22 | H22 | 16.3° | 148.3° |
| H21 | C21 | C22 | H23 | 137.8° | 26.3° |
| H22 | C22 | N23 | H44 | 52.1° | 78.0° |
| H23 | C22 | N23 | H44 | 69.4° | 44.0° |
| H24 | C23 | H25 | H26 | 120.0° | 119.9° |
| H24 | C23 | C35 | H33 | 62.4° | 60.0° |
| H25 | C23 | C35 | H33 | 57.6° | 60.0° |
| H26 | C23 | C35 | H33 | 177.6° | 180.0° |
| H27 | C27 | O28 | H45 | 60.1° | 60.0° |
| H28 | C27 | O28 | H45 | 60.1° | 60.0° |
| H31 | C34 | C35 | H33 | 176.2° | 172.7° |
| H32 | C34 | C35 | H33 | 64.2° | 67.2° |
| H33 | C35 | C37 | H34 | 63.0° | 65.7° |
| H33 | C35 | C37 | H35 | 57.0° | 54.4° |
| H33 | C35 | C37 | H36 | 177.0° | 174.3° |
| H34 | C37 | H35 | H36 | 120.0° | 120.0° |
| H37 | C5 | C6 | H38 | 0.1° | 0.0° |
