7YZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| CL7 | C3 | sing | 1.74Å | 1.80Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C23 | sing | 1.53Å | 1.52Å | |
| C26 | C13 | sing | 1.53Å | 1.53Å | |
| C30 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C34 | C13 | sing | 1.53Å | 1.54Å | |
| C34 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | N10 | sing | 1.46Å | 1.44Å | |
| O29 | C9 | doub | 1.22Å | 1.22Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| C13 | C16 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.51Å | |
| C23 | C18 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C12 | O33 | doub | 1.21Å | 1.23Å | |
| N10 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | O8 | sing | 1.35Å | 1.45Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| C17 | C8 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C7 | O8 | sing | 1.45Å | 1.44Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C24 | sing | 1.51Å | 1.52Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.23Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.08Å | 1.08Å | |
| C5 | H33 | sing | 1.08Å | 1.08Å | |
| C6 | H34 | sing | 1.08Å | 1.08Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N13 | H40 | sing | 0.97Å | 1.00Å | |
| N16 | H41 | sing | 0.97Å | 1.00Å | |
| N23 | H42 | sing | 0.97Å | 1.00Å | |
| O9 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | H32 | 120.0° | 120.0° |
| C4 | C5 | H33 | 120.2° | 120.0° |
| C4 | C3 | CL7 | 117.2° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C3 | C4 | H32 | 120.0° | 120.1° |
| C5 | C6 | C1 | 120.9° | 120.0° |
| C6 | C5 | H33 | 120.1° | 120.0° |
| C5 | C6 | H34 | 119.5° | 120.0° |
| CL7 | C3 | C2 | 121.9° | 120.0° |
| C31 | C30 | C32 | 111.7° | 109.5° |
| C31 | C30 | C11 | 109.8° | 109.5° |
| C31 | C30 | H23 | 107.5° | 109.5° |
| C30 | C31 | H24 | 109.5° | 109.5° |
| C30 | C31 | H25 | 109.5° | 109.5° |
| C30 | C31 | H26 | 109.4° | 109.5° |
| C32 | C30 | C11 | 112.7° | 109.4° |
| C32 | C30 | H23 | 107.5° | 109.4° |
| C30 | C32 | H27 | 109.5° | 109.5° |
| C30 | C32 | H28 | 109.5° | 109.5° |
| C30 | C32 | H29 | 109.5° | 109.5° |
| C3 | C2 | C1 | 118.6° | 120.0° |
| C3 | C2 | H11 | 120.7° | 120.0° |
| C26 | C25 | C23 | 110.3° | 109.5° |
| C25 | C26 | C13 | 115.4° | 109.5° |
| C26 | C25 | H19 | 109.3° | 109.4° |
| C26 | C25 | H20 | 109.3° | 109.5° |
| C25 | C26 | H21 | 108.0° | 109.4° |
| C25 | C26 | H22 | 108.0° | 109.5° |
| C25 | C23 | C18 | 111.5° | 109.5° |
| C25 | C23 | H17 | 109.0° | 109.5° |
| C25 | C23 | H18 | 109.0° | 109.5° |
| C23 | C25 | H19 | 109.3° | 109.4° |
| C23 | C25 | H20 | 109.3° | 109.5° |
| C26 | C13 | C34 | 108.5° | 109.5° |
| C26 | C13 | C16 | 113.2° | 109.5° |
| C26 | C13 | H2 | 107.3° | 109.4° |
| C13 | C26 | H21 | 108.0° | 109.4° |
| C13 | C26 | H22 | 108.0° | 109.5° |
| C30 | C11 | C12 | 110.8° | 109.5° |
| C30 | C11 | N10 | 107.4° | 109.4° |
| C30 | C11 | H1 | 109.2° | 109.4° |
| C11 | C30 | H23 | 107.4° | 109.5° |
| C6 | C1 | C2 | 119.9° | 120.0° |
| C6 | C1 | C7 | 117.8° | 120.0° |
| C1 | C6 | H34 | 119.6° | 120.0° |
| O38 | C15 | C14 | 120.4° | 120.0° |
| O38 | C15 | N16 | 120.0° | 120.0° |
| C13 | C34 | C14 | 115.9° | 109.5° |
| C34 | C13 | C16 | 112.9° | 109.5° |
| C34 | C13 | H2 | 107.2° | 109.5° |
| C13 | C34 | H30 | 107.9° | 109.4° |
| C13 | C34 | H31 | 107.9° | 109.4° |
| C34 | C14 | N13 | 106.8° | 109.4° |
| C34 | C14 | C15 | 110.2° | 109.5° |
| C34 | C14 | H3 | 109.3° | 109.5° |
| C14 | C34 | H30 | 107.8° | 109.5° |
| C14 | C34 | H31 | 107.8° | 109.5° |
| C12 | C11 | N10 | 109.2° | 109.5° |
| C11 | C12 | N13 | 115.4° | 120.0° |
| C11 | C12 | O33 | 121.6° | 120.0° |
| C12 | C11 | H1 | 109.6° | 109.5° |
| C11 | N10 | C9 | 123.1° | 120.0° |
| N10 | C11 | H1 | 110.5° | 109.4° |
| C11 | N10 | H39 | 118.4° | 120.0° |
| O29 | C9 | N10 | 123.4° | 120.0° |
| O29 | C9 | O8 | 120.2° | 120.0° |
| C14 | N13 | C12 | 121.0° | 120.0° |
| N13 | C14 | C15 | 110.2° | 109.5° |
| N13 | C14 | H3 | 110.5° | 109.5° |
| C14 | N13 | H40 | 119.5° | 120.0° |
| N13 | C12 | O33 | 123.0° | 120.0° |
| C12 | N13 | H40 | 119.5° | 120.0° |
| C13 | C16 | C18 | 114.1° | 109.5° |
| C16 | C13 | H2 | 107.3° | 109.4° |
| C13 | C16 | H4 | 108.3° | 109.5° |
| C13 | C16 | H5 | 108.3° | 109.5° |
| C2 | C1 | C7 | 122.3° | 120.0° |
| C1 | C2 | H11 | 120.7° | 120.0° |
| C1 | C7 | O8 | 111.4° | 109.5° |
| C1 | C7 | H35 | 109.0° | 109.5° |
| C1 | C7 | H36 | 109.0° | 109.5° |
| C23 | C18 | C16 | 114.7° | 109.4° |
| C23 | C18 | H7 | 108.2° | 109.4° |
| C23 | C18 | H8 | 108.2° | 109.5° |
| C18 | C23 | H17 | 109.0° | 109.4° |
| C18 | C23 | H18 | 109.0° | 109.5° |
| C14 | C15 | N16 | 119.6° | 120.0° |
| C15 | C14 | H3 | 109.7° | 109.5° |
| C15 | N16 | C17 | 119.4° | 120.0° |
| C15 | N16 | H41 | 120.3° | 120.0° |
| N10 | C9 | O8 | 116.4° | 120.0° |
| C9 | N10 | H39 | 118.4° | 119.9° |
| C9 | O8 | C7 | 124.2° | 117.0° |
| C18 | C16 | H4 | 108.3° | 109.5° |
| C18 | C16 | H5 | 108.3° | 109.4° |
| C16 | C18 | H7 | 108.1° | 109.5° |
| C16 | C18 | H8 | 108.1° | 109.5° |
| C22 | C21 | C20 | 105.5° | 101.7° |
| C21 | C22 | N23 | 104.5° | 105.5° |
| C22 | C21 | H13 | 110.4° | 111.0° |
| C22 | C21 | H14 | 110.5° | 111.0° |
| C21 | C22 | H15 | 110.7° | 110.2° |
| C21 | C22 | H16 | 110.7° | 110.2° |
| C21 | C20 | C19 | 113.0° | 110.5° |
| C21 | C20 | C24 | 102.8° | 104.2° |
| C21 | C20 | H12 | 108.9° | 110.6° |
| C20 | C21 | H13 | 110.5° | 110.9° |
| C20 | C21 | H14 | 110.4° | 111.0° |
| C22 | N23 | C24 | 112.8° | 111.3° |
| N23 | C22 | H15 | 110.7° | 110.3° |
| N23 | C22 | H16 | 110.7° | 110.2° |
| C22 | N23 | H42 | 123.6° | 124.4° |
| N16 | C17 | C8 | 107.3° | 109.4° |
| N16 | C17 | C19 | 111.7° | 109.5° |
| N16 | C17 | H6 | 109.0° | 109.5° |
| C17 | N16 | H41 | 120.3° | 120.0° |
| C8 | C17 | C19 | 112.6° | 109.5° |
| C17 | C8 | O9 | 110.7° | 109.5° |
| C8 | C17 | H6 | 108.0° | 109.4° |
| C17 | C8 | H37 | 109.2° | 109.5° |
| C17 | C8 | H38 | 109.1° | 109.4° |
| C17 | C19 | C20 | 112.9° | 109.5° |
| C19 | C17 | H6 | 108.0° | 109.5° |
| C17 | C19 | H9 | 108.6° | 109.4° |
| C17 | C19 | H10 | 108.6° | 109.5° |
| O8 | C7 | H35 | 109.0° | 109.5° |
| O8 | C7 | H36 | 109.0° | 109.5° |
| O9 | C8 | H37 | 109.2° | 109.5° |
| O9 | C8 | H38 | 109.2° | 109.5° |
| C8 | O9 | H43 | 109.5° | 114.0° |
| C19 | C20 | C24 | 114.3° | 110.5° |
| C20 | C19 | H9 | 108.6° | 109.5° |
| C20 | C19 | H10 | 108.6° | 109.5° |
| C19 | C20 | H12 | 108.7° | 110.4° |
| C20 | C24 | N23 | 111.0° | 110.1° |
| C20 | C24 | O26 | 124.0° | 124.9° |
| C24 | C20 | H12 | 109.0° | 110.5° |
| N23 | C24 | O26 | 125.0° | 125.0° |
| C24 | N23 | H42 | 123.6° | 124.4° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 110.9° |
| H15 | C22 | H16 | 109.5° | 110.2° |
| H17 | C23 | H18 | 109.4° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.4° |
| H21 | C26 | H22 | 109.5° | 109.4° |
| H24 | C31 | H25 | 109.4° | 109.4° |
| H24 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.4° | 109.4° |
| H27 | C32 | H29 | 109.4° | 109.5° |
| H28 | C32 | H29 | 109.5° | 109.4° |
| H30 | C34 | H31 | 109.5° | 109.4° |
| H35 | C7 | H36 | 109.5° | 109.4° |
| H37 | C8 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H32 | 180.0° | 179.7° |
| C4 | C5 | C6 | H33 | 180.0° | 179.7° |
| C5 | C4 | C3 | CL7 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.6° |
| C4 | C5 | C6 | H34 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.3° |
| C4 | C3 | CL7 | C2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H11 | 179.7° | 179.9° |
| C3 | C4 | C5 | H33 | 179.4° | 180.0° |
| C5 | C6 | C1 | H34 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.0° | 0.6° |
| C5 | C6 | C1 | C7 | 179.8° | 179.7° |
| C6 | C5 | C4 | H32 | 179.4° | 180.0° |
| CL7 | C3 | C2 | C1 | 179.7° | 180.0° |
| CL7 | C3 | C2 | H11 | 0.3° | 0.0° |
| CL7 | C3 | C4 | H32 | 0.2° | 0.3° |
| C31 | C30 | C32 | C11 | 124.2° | 120.0° |
| C31 | C30 | C32 | H23 | 117.7° | 120.0° |
| C31 | C30 | C11 | H23 | 116.6° | 120.0° |
| C31 | C30 | C11 | C12 | 180.0° | 175.9° |
| C31 | C30 | C11 | N10 | 60.7° | 64.0° |
| C31 | C30 | C11 | H1 | 59.2° | 55.9° |
| C30 | C31 | H24 | H25 | 120.0° | 120.0° |
| C30 | C31 | H24 | H26 | 120.0° | 120.1° |
| C30 | C31 | H25 | H26 | 120.0° | 120.1° |
| C31 | C30 | C32 | H27 | 180.0° | 180.0° |
| C31 | C30 | C32 | H28 | 60.0° | 60.0° |
| C31 | C30 | C32 | H29 | 60.0° | 60.0° |
| C32 | C30 | C11 | H23 | 118.2° | 119.9° |
| C32 | C30 | C11 | C12 | 54.8° | 64.0° |
| C32 | C30 | C11 | N10 | 174.1° | 56.0° |
| C32 | C30 | C11 | H1 | 66.1° | 175.9° |
| C32 | C30 | C31 | H24 | 180.0° | 54.1° |
| C32 | C30 | C31 | H25 | 60.0° | 65.8° |
| C32 | C30 | C31 | H26 | 60.0° | 174.2° |
| C30 | C32 | H27 | H28 | 120.0° | 120.0° |
| C30 | C32 | H27 | H29 | 120.0° | 120.1° |
| C30 | C32 | H28 | H29 | 120.0° | 120.0° |
| C3 | C2 | C1 | C6 | 0.4° | 0.3° |
| C3 | C2 | C1 | H11 | 180.0° | 179.9° |
| C3 | C2 | C1 | C7 | 179.8° | 180.0° |
| C2 | C3 | C4 | H32 | 179.8° | 179.7° |
| C26 | C25 | C23 | H19 | 120.1° | 120.0° |
| C26 | C25 | C23 | H20 | 120.1° | 120.1° |
| C25 | C26 | C13 | H21 | 120.9° | 120.0° |
| C25 | C26 | C13 | H22 | 120.9° | 120.1° |
| C25 | C26 | C13 | C34 | 143.3° | 180.0° |
| C25 | C26 | C13 | C16 | 17.1° | 59.9° |
| C26 | C25 | C23 | C18 | 62.7° | 60.0° |
| C25 | C26 | C13 | H2 | 101.1° | 60.0° |
| C26 | C25 | C23 | H17 | 176.9° | 180.0° |
| C26 | C25 | C23 | H18 | 57.6° | 60.0° |
| C26 | C25 | H19 | H20 | 119.7° | 120.0° |
| C25 | C26 | H21 | H22 | 117.3° | 120.0° |
| C23 | C25 | C26 | C13 | 37.7° | 59.9° |
| C25 | C23 | C18 | H17 | 120.3° | 120.0° |
| C25 | C23 | C18 | H18 | 120.3° | 120.0° |
| C25 | C23 | C18 | C16 | 30.4° | 60.0° |
| C25 | C23 | C18 | H7 | 90.3° | 60.0° |
| C25 | C23 | C18 | H8 | 151.2° | 180.0° |
| C25 | C23 | H17 | H18 | 119.1° | 120.0° |
| C23 | C25 | H19 | H20 | 119.6° | 120.0° |
| C23 | C25 | C26 | H21 | 83.1° | 60.0° |
| C23 | C25 | C26 | H22 | 158.6° | 180.0° |
| C26 | C13 | C34 | C16 | 126.4° | 120.1° |
| C26 | C13 | C34 | H2 | 115.6° | 120.0° |
| C26 | C13 | C34 | C14 | 165.8° | 65.0° |
| C26 | C13 | C16 | H2 | 118.2° | 120.0° |
| C26 | C13 | C16 | C18 | 49.7° | 60.0° |
| C26 | C13 | C16 | H4 | 170.3° | 180.0° |
| C26 | C13 | C16 | H5 | 71.0° | 60.0° |
| C13 | C26 | C25 | H19 | 82.4° | 60.0° |
| C13 | C26 | C25 | H20 | 157.8° | 180.0° |
| C13 | C26 | H21 | H22 | 117.3° | 120.0° |
| C26 | C13 | C34 | H30 | 73.2° | 55.1° |
| C26 | C13 | C34 | H31 | 44.9° | 175.0° |
| C30 | C11 | C12 | N10 | 118.2° | 120.0° |
| C30 | C11 | C12 | H1 | 120.6° | 120.0° |
| C30 | C11 | N10 | H1 | 119.1° | 119.9° |
| C30 | C11 | C12 | N13 | 113.2° | 79.9° |
| C30 | C11 | C12 | O33 | 66.4° | 100.1° |
| C30 | C11 | N10 | C9 | 151.6° | 85.0° |
| C11 | C30 | C31 | H24 | 54.2° | 65.9° |
| C11 | C30 | C31 | H25 | 174.2° | 174.2° |
| C11 | C30 | C31 | H26 | 65.8° | 54.2° |
| C11 | C30 | C32 | H27 | 55.8° | 60.0° |
| C11 | C30 | C32 | H28 | 64.1° | 180.0° |
| C11 | C30 | C32 | H29 | 175.8° | 60.1° |
| C30 | C11 | N10 | H39 | 28.4° | 95.1° |
| C6 | C1 | C2 | C7 | 179.8° | 179.7° |
| C6 | C1 | C7 | O8 | 105.9° | 90.3° |
| C6 | C1 | C2 | H11 | 179.6° | 179.8° |
| C1 | C6 | C5 | H33 | 179.5° | 179.7° |
| C6 | C1 | C7 | H35 | 133.9° | 29.7° |
| C6 | C1 | C7 | H36 | 14.4° | 149.7° |
| O38 | C15 | C14 | C34 | 71.6° | 120.0° |
| O38 | C15 | C14 | N13 | 46.1° | 0.0° |
| O38 | C15 | C14 | N16 | 179.2° | 180.0° |
| O38 | C15 | N16 | C17 | 4.8° | 0.1° |
| O38 | C15 | C14 | H3 | 168.0° | 120.0° |
| O38 | C15 | N16 | H41 | 175.2° | 180.0° |
| C13 | C34 | C14 | H30 | 121.0° | 120.0° |
| C13 | C34 | C14 | H31 | 120.9° | 120.0° |
| C13 | C34 | C14 | N13 | 99.3° | 65.0° |
| C34 | C13 | C16 | H2 | 117.9° | 120.0° |
| C13 | C34 | C14 | C15 | 140.9° | 175.0° |
| C34 | C13 | C16 | C18 | 173.5° | 180.0° |
| C13 | C34 | C14 | H3 | 20.3° | 55.0° |
| C34 | C13 | C16 | H4 | 65.8° | 60.0° |
| C34 | C13 | C16 | H5 | 52.9° | 60.0° |
| C34 | C13 | C26 | H21 | 95.8° | 60.0° |
| C34 | C13 | C26 | H22 | 22.4° | 59.9° |
| C13 | C34 | H30 | H31 | 117.1° | 119.9° |
| C34 | C14 | N13 | C15 | 119.8° | 120.0° |
| C34 | C14 | N13 | H3 | 118.9° | 120.0° |
| C34 | C14 | N13 | C12 | 168.0° | 85.0° |
| C14 | C34 | C13 | C16 | 39.4° | 175.0° |
| C34 | C14 | C15 | H3 | 120.4° | 120.0° |
| C34 | C14 | C15 | N16 | 109.2° | 60.0° |
| C14 | C34 | C13 | H2 | 78.5° | 55.0° |
| C14 | C34 | H30 | H31 | 117.0° | 120.1° |
| C34 | C14 | N13 | H40 | 12.0° | 95.1° |
| C12 | C11 | N10 | H1 | 120.7° | 120.0° |
| C11 | C12 | N13 | C14 | 178.6° | 175.8° |
| C11 | C12 | N13 | O33 | 179.6° | 180.0° |
| C12 | C11 | N10 | C9 | 88.1° | 154.9° |
| C12 | C11 | C30 | H23 | 63.4° | 55.9° |
| C12 | C11 | N10 | H39 | 91.9° | 25.0° |
| C11 | C12 | N13 | H40 | 1.4° | 4.3° |
| C11 | N10 | C9 | O29 | 10.0° | 0.0° |
| N10 | C11 | C12 | N13 | 128.6° | 160.1° |
| N10 | C11 | C12 | O33 | 51.8° | 19.9° |
| C11 | N10 | C9 | H39 | 180.0° | 179.9° |
| C11 | N10 | C9 | O8 | 169.9° | 180.0° |
| N10 | C11 | C30 | H23 | 55.9° | 176.0° |
| O29 | C9 | N10 | O8 | 180.0° | 180.0° |
| O29 | C9 | O8 | C7 | 18.9° | 0.0° |
| O29 | C9 | N10 | H39 | 170.0° | 180.0° |
| C14 | N13 | C12 | H40 | 180.0° | 179.9° |
| N13 | C14 | C15 | H3 | 121.9° | 120.0° |
| N13 | C14 | C15 | N16 | 133.1° | 180.0° |
| C14 | N13 | C12 | O33 | 1.0° | 4.2° |
| N13 | C14 | C34 | H30 | 139.7° | 175.0° |
| N13 | C14 | C34 | H31 | 21.6° | 55.0° |
| C12 | N13 | C14 | C15 | 72.2° | 155.0° |
| N13 | C12 | C11 | H1 | 7.4° | 40.1° |
| C12 | N13 | C14 | H3 | 49.2° | 34.9° |
| C13 | C16 | C18 | C23 | 25.1° | 59.9° |
| C13 | C16 | C18 | H4 | 120.6° | 120.0° |
| C13 | C16 | C18 | H5 | 120.7° | 120.0° |
| C13 | C16 | H4 | H5 | 117.9° | 120.0° |
| C13 | C16 | C18 | H7 | 145.9° | 60.0° |
| C13 | C16 | C18 | H8 | 95.7° | 179.9° |
| C16 | C13 | C26 | H21 | 138.0° | 60.0° |
| C16 | C13 | C26 | H22 | 103.8° | 180.0° |
| C16 | C13 | C34 | H30 | 160.4° | 65.0° |
| C16 | C13 | C34 | H31 | 81.5° | 54.9° |
| C2 | C1 | C7 | O8 | 74.4° | 90.0° |
| C2 | C1 | C6 | H34 | 180.0° | 180.0° |
| C2 | C1 | C7 | H35 | 45.9° | 150.0° |
| C2 | C1 | C7 | H36 | 165.4° | 30.0° |
| C1 | C7 | O8 | C9 | 56.0° | 180.0° |
| C1 | C7 | O8 | H35 | 120.3° | 120.1° |
| C1 | C7 | O8 | H36 | 120.3° | 120.0° |
| C7 | C1 | C2 | H11 | 0.2° | 0.1° |
| C7 | C1 | C6 | H34 | 0.2° | 0.3° |
| C1 | C7 | H35 | H36 | 119.2° | 120.0° |
| C23 | C18 | C16 | H7 | 120.8° | 119.9° |
| C23 | C18 | C16 | H8 | 120.8° | 120.0° |
| C23 | C18 | C16 | H4 | 145.8° | 180.0° |
| C23 | C18 | C16 | H5 | 95.5° | 60.0° |
| C23 | C18 | H7 | H8 | 117.6° | 120.0° |
| C18 | C23 | H17 | H18 | 119.0° | 120.0° |
| C18 | C23 | C25 | H19 | 57.4° | 60.0° |
| C18 | C23 | C25 | H20 | 177.1° | 180.0° |
| C14 | C15 | N16 | C17 | 176.0° | 180.0° |
| C15 | C14 | C34 | H30 | 19.9° | 55.0° |
| C15 | C14 | C34 | H31 | 98.2° | 65.0° |
| C15 | C14 | N13 | H40 | 107.8° | 24.9° |
| C14 | C15 | N16 | H41 | 4.0° | 0.0° |
| C15 | N16 | C17 | H41 | 180.0° | 180.0° |
| C15 | N16 | C17 | C8 | 120.1° | 85.0° |
| C15 | N16 | C17 | C19 | 116.0° | 155.0° |
| N16 | C15 | C14 | H3 | 11.2° | 60.0° |
| C15 | N16 | C17 | H6 | 3.3° | 34.9° |
| O33 | C12 | C11 | H1 | 173.0° | 139.9° |
| O33 | C12 | N13 | H40 | 179.0° | 175.7° |
| N10 | C9 | O8 | C7 | 161.1° | 180.0° |
| C9 | N10 | C11 | H1 | 32.6° | 34.9° |
| C9 | O8 | C7 | H35 | 176.3° | 59.9° |
| C9 | O8 | C7 | H36 | 64.3° | 60.0° |
| O8 | C9 | N10 | H39 | 10.1° | 0.1° |
| C18 | C16 | C13 | H2 | 68.6° | 60.0° |
| C18 | C16 | H4 | H5 | 117.9° | 120.0° |
| C16 | C18 | H7 | H8 | 117.6° | 120.0° |
| C16 | C18 | C23 | H17 | 150.7° | 180.0° |
| C16 | C18 | C23 | H18 | 89.9° | 60.0° |
| C22 | C21 | C20 | H13 | 119.4° | 118.1° |
| C22 | C21 | C20 | H14 | 119.4° | 118.2° |
| C21 | C22 | N23 | H15 | 119.2° | 119.1° |
| C21 | C22 | N23 | H16 | 119.2° | 119.0° |
| C22 | C21 | C20 | C19 | 140.9° | 93.9° |
| C22 | C21 | C20 | C24 | 17.3° | 24.8° |
| C21 | C22 | N23 | C24 | 12.2° | 17.1° |
| C22 | C21 | C20 | H12 | 98.2° | 143.5° |
| C22 | C21 | H13 | H14 | 121.8° | 123.9° |
| C21 | C22 | H15 | H16 | 122.3° | 121.9° |
| C21 | C22 | N23 | H42 | 167.8° | 162.9° |
| C20 | C21 | C22 | N23 | 18.1° | 25.5° |
| C21 | C20 | C19 | C17 | 67.1° | 178.8° |
| C21 | C20 | C19 | C24 | 117.0° | 114.8° |
| C21 | C20 | C19 | H12 | 120.9° | 122.7° |
| C21 | C20 | C24 | H12 | 115.4° | 118.8° |
| C21 | C20 | C24 | N23 | 10.7° | 16.3° |
| C21 | C20 | C24 | O26 | 171.5° | 163.8° |
| C21 | C20 | C19 | H9 | 172.4° | 61.3° |
| C21 | C20 | C19 | H10 | 53.4° | 58.7° |
| C20 | C21 | H13 | H14 | 121.8° | 123.8° |
| C20 | C21 | C22 | H15 | 137.3° | 93.6° |
| C20 | C21 | C22 | H16 | 101.1° | 144.4° |
| C22 | N23 | C24 | C20 | 0.9° | 0.4° |
| C22 | N23 | C24 | H42 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 176.8° | 179.6° |
| N23 | C22 | C21 | H13 | 137.5° | 143.5° |
| N23 | C22 | C21 | H14 | 101.2° | 92.7° |
| N23 | C22 | H15 | H16 | 122.3° | 122.0° |
| N16 | C17 | C8 | C19 | 123.3° | 120.0° |
| N16 | C17 | C8 | H6 | 117.5° | 120.0° |
| N16 | C17 | C19 | H6 | 119.9° | 120.1° |
| N16 | C17 | C8 | O9 | 177.1° | 65.0° |
| N16 | C17 | C19 | C20 | 59.1° | 65.0° |
| N16 | C17 | C19 | H9 | 61.4° | 55.0° |
| N16 | C17 | C19 | H10 | 179.6° | 174.9° |
| N16 | C17 | C8 | H37 | 56.9° | 55.0° |
| N16 | C17 | C8 | H38 | 62.7° | 175.0° |
| C8 | C17 | C19 | H6 | 119.2° | 120.0° |
| C17 | C8 | O9 | H37 | 120.2° | 120.0° |
| C17 | C8 | O9 | H38 | 120.2° | 120.0° |
| C8 | C17 | C19 | C20 | 180.0° | 175.0° |
| C8 | C17 | C19 | H9 | 59.4° | 65.0° |
| C8 | C17 | C19 | H10 | 59.5° | 55.0° |
| C17 | C8 | H37 | H38 | 119.4° | 120.0° |
| C8 | C17 | N16 | H41 | 59.9° | 95.0° |
| C17 | C8 | O9 | H43 | 180.0° | 180.0° |
| C19 | C17 | C8 | O9 | 53.8° | 55.0° |
| C17 | C19 | C20 | H9 | 120.5° | 120.0° |
| C17 | C19 | C20 | H10 | 120.5° | 120.0° |
| C17 | C19 | C20 | C24 | 175.8° | 66.4° |
| C17 | C19 | H9 | H10 | 118.4° | 120.0° |
| C17 | C19 | C20 | H12 | 53.8° | 56.1° |
| C19 | C17 | C8 | H37 | 66.4° | 175.0° |
| C19 | C17 | C8 | H38 | 174.0° | 65.0° |
| C19 | C17 | N16 | H41 | 64.0° | 25.0° |
| O8 | C7 | H35 | H36 | 119.1° | 120.0° |
| O9 | C8 | C17 | H6 | 65.4° | 175.0° |
| O9 | C8 | H37 | H38 | 119.5° | 120.0° |
| C19 | C20 | C24 | H12 | 121.9° | 122.5° |
| C19 | C20 | C24 | N23 | 133.5° | 102.4° |
| C19 | C20 | C24 | O26 | 48.7° | 77.6° |
| C20 | C19 | C17 | H6 | 60.8° | 55.1° |
| C20 | C19 | H9 | H10 | 118.4° | 120.1° |
| C19 | C20 | C21 | H13 | 99.7° | 24.2° |
| C19 | C20 | C21 | H14 | 21.6° | 147.9° |
| C20 | C24 | N23 | O26 | 177.8° | 180.0° |
| C24 | C20 | C19 | H9 | 55.3° | 53.5° |
| C24 | C20 | C19 | H10 | 63.7° | 173.6° |
| C24 | C20 | C21 | H13 | 136.6° | 142.9° |
| C24 | C20 | C21 | H14 | 102.1° | 93.3° |
| C20 | C24 | N23 | H42 | 179.1° | 179.6° |
| N23 | C24 | C20 | H12 | 104.7° | 135.1° |
| C24 | N23 | C22 | H15 | 131.4° | 102.0° |
| C24 | N23 | C22 | H16 | 107.0° | 136.0° |
| O26 | C24 | C20 | H12 | 73.1° | 44.9° |
| O26 | C24 | N23 | H42 | 3.2° | 0.5° |
| H1 | C11 | C30 | H23 | 175.7° | 64.1° |
| H1 | C11 | N10 | H39 | 147.5° | 145.0° |
| H2 | C13 | C16 | H4 | 52.1° | 60.0° |
| H2 | C13 | C16 | H5 | 170.8° | 180.0° |
| H2 | C13 | C26 | H21 | 19.7° | NaN° |
| H2 | C13 | C26 | H22 | 138.0° | 60.1° |
| H2 | C13 | C34 | H30 | 42.4° | 175.1° |
| H2 | C13 | C34 | H31 | 160.6° | 65.0° |
| H3 | C14 | C34 | H30 | 100.7° | 65.0° |
| H3 | C14 | C34 | H31 | 141.2° | 175.0° |
| H3 | C14 | N13 | H40 | 130.8° | 145.0° |
| H4 | C16 | C18 | H7 | 93.5° | 60.1° |
| H4 | C16 | C18 | H8 | 25.0° | 60.0° |
| H5 | C16 | C18 | H7 | 25.2° | 179.9° |
| H5 | C16 | C18 | H8 | 143.7° | 60.0° |
| H6 | C17 | C19 | H9 | 178.7° | 175.1° |
| H6 | C17 | C19 | H10 | 59.7° | 65.0° |
| H6 | C17 | C8 | H37 | 174.4° | 65.0° |
| H6 | C17 | C8 | H38 | 54.7° | 55.0° |
| H6 | C17 | N16 | H41 | 176.7° | 145.1° |
| H7 | C18 | C23 | H17 | 30.0° | 60.1° |
| H7 | C18 | C23 | H18 | 149.3° | 180.0° |
| H8 | C18 | C23 | H17 | 88.5° | 60.0° |
| H8 | C18 | C23 | H18 | 30.8° | 60.0° |
| H9 | C19 | C20 | H12 | 66.7° | 176.1° |
| H10 | C19 | C20 | H12 | 174.3° | 63.9° |
| H12 | C20 | C21 | H13 | 21.2° | 98.4° |
| H12 | C20 | C21 | H14 | 142.4° | 25.4° |
| H13 | C21 | C22 | H15 | 103.3° | 24.4° |
| H13 | C21 | C22 | H16 | 18.3° | 97.5° |
| H14 | C21 | C22 | H15 | 18.0° | 148.2° |
| H14 | C21 | C22 | H16 | 139.6° | 26.3° |
| H15 | C22 | N23 | H42 | 48.6° | 78.0° |
| H16 | C22 | N23 | H42 | 73.0° | 44.0° |
| H17 | C23 | C25 | H19 | 62.9° | 60.0° |
| H17 | C23 | C25 | H20 | 56.8° | 60.0° |
| H18 | C23 | C25 | H19 | 177.7° | 180.0° |
| H18 | C23 | C25 | H20 | 62.5° | 60.0° |
| H19 | C25 | C26 | H21 | 156.7° | 180.0° |
| H19 | C25 | C26 | H22 | 38.5° | 60.0° |
| H20 | C25 | C26 | H21 | 37.0° | 60.0° |
| H20 | C25 | C26 | H22 | 81.3° | 60.0° |
| H23 | C30 | C31 | H24 | 62.3° | 174.1° |
| H23 | C30 | C31 | H25 | 57.7° | 54.2° |
| H23 | C30 | C31 | H26 | 177.7° | 65.9° |
| H23 | C30 | C32 | H27 | 62.3° | 60.0° |
| H23 | C30 | C32 | H28 | 177.7° | 60.0° |
| H23 | C30 | C32 | H29 | 57.6° | 179.9° |
| H24 | C31 | H25 | H26 | 120.0° | 120.0° |
| H27 | C32 | H28 | H29 | 120.0° | 120.0° |
| H32 | C4 | C5 | H33 | 0.6° | 0.3° |
| H33 | C5 | C6 | H34 | 0.5° | 0.3° |
| H37 | C8 | O9 | H43 | 59.8° | 60.0° |
| H38 | C8 | O9 | H43 | 59.9° | 60.0° |
