92A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C30 | doub | 1.21Å | 1.21Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C38 | N32 | sing | 1.47Å | 1.47Å | |
| C37 | C35 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | N32 | sing | 1.35Å | 1.35Å | |
| C30 | C9 | sing | 1.51Å | 1.51Å | |
| O18 | C17 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N32 | C33 | sing | 1.47Å | 1.47Å | |
| C26 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N8 | C6 | sing | 1.35Å | 1.35Å | |
| N8 | C9 | sing | 1.46Å | 1.46Å | |
| C6 | O7 | doub | 1.21Å | 1.21Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.51Å | 1.51Å | |
| C17 | N16 | sing | 1.35Å | 1.35Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C24 | CL1 | sing | 1.74Å | 1.73Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.40Å | |
| C15 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.54Å | 1.53Å | |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C38 | H11 | sing | 1.09Å | 1.10Å | |
| C38 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| N8 | H24 | sing | 0.97Å | 1.00Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C14 | H35 | sing | 1.08Å | 1.08Å | |
| N16 | H36 | sing | 0.97Å | 1.00Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C30 | N32 | 120.2° | 120.0° |
| O31 | C30 | C9 | 119.6° | 120.0° |
| C37 | C38 | N32 | 111.8° | 108.8° |
| C38 | C37 | C35 | 114.1° | 109.3° |
| C37 | C38 | H11 | 108.9° | 109.6° |
| C37 | C38 | H12 | 108.9° | 109.6° |
| C38 | C37 | H13 | 108.3° | 109.5° |
| C38 | C37 | H14 | 108.3° | 109.5° |
| C38 | N32 | C30 | 120.2° | 120.6° |
| C38 | N32 | C33 | 119.1° | 118.7° |
| N32 | C38 | H11 | 108.9° | 109.5° |
| N32 | C38 | H12 | 108.9° | 109.6° |
| C37 | C35 | C36 | 109.3° | 109.5° |
| C37 | C35 | C34 | 110.4° | 109.6° |
| C35 | C37 | H13 | 108.3° | 109.5° |
| C35 | C37 | H14 | 108.3° | 109.5° |
| C37 | C35 | H15 | 109.2° | 109.5° |
| C14 | C13 | C12 | 120.4° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | H5 | 119.8° | 119.9° |
| C13 | C14 | H35 | 119.9° | 120.0° |
| C13 | C12 | C11 | 120.2° | 119.9° |
| C13 | C12 | C29 | 119.6° | 120.2° |
| C12 | C13 | H5 | 119.8° | 120.0° |
| N32 | C30 | C9 | 120.2° | 120.0° |
| C30 | N32 | C33 | 120.7° | 120.7° |
| C30 | C9 | C11 | 108.9° | 109.4° |
| C30 | C9 | N8 | 109.7° | 109.5° |
| C30 | C9 | H23 | 109.5° | 109.4° |
| O18 | C17 | C19 | 119.6° | 120.0° |
| O18 | C17 | N16 | 120.3° | 120.0° |
| C14 | C15 | N16 | 121.0° | 120.1° |
| C14 | C15 | C28 | 119.2° | 119.8° |
| C15 | C14 | H35 | 119.9° | 120.0° |
| C26 | C27 | C21 | 119.9° | 120.0° |
| C27 | C26 | C24 | 120.2° | 120.0° |
| C27 | C26 | H9 | 119.9° | 120.0° |
| C26 | C27 | H39 | 120.1° | 120.0° |
| C27 | C21 | C20 | 120.1° | 120.0° |
| C27 | C21 | C22 | 120.0° | 120.0° |
| C21 | C27 | H39 | 120.0° | 120.0° |
| C6 | C5 | C4 | 109.9° | 109.5° |
| C5 | C6 | N8 | 120.1° | 120.0° |
| C5 | C6 | O7 | 119.7° | 120.0° |
| C6 | C5 | H3 | 109.4° | 109.5° |
| C6 | C5 | H4 | 109.4° | 109.4° |
| C5 | C4 | C2 | 109.1° | 109.5° |
| C5 | C4 | H1 | 109.6° | 109.4° |
| C5 | C4 | H2 | 109.6° | 109.5° |
| C4 | C5 | H3 | 109.4° | 109.5° |
| C4 | C5 | H4 | 109.4° | 109.5° |
| N32 | C33 | C34 | 112.5° | 108.6° |
| N32 | C33 | H21 | 108.7° | 109.6° |
| N32 | C33 | H22 | 108.7° | 109.5° |
| C26 | C24 | CL1 | 120.1° | 120.0° |
| C26 | C24 | C23 | 119.8° | 120.0° |
| C24 | C26 | H9 | 119.9° | 120.0° |
| C21 | C20 | C19 | 109.2° | 109.5° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C21 | C20 | H6 | 109.5° | 109.4° |
| C21 | C20 | H7 | 109.5° | 109.5° |
| C20 | C19 | C17 | 110.1° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C20 | C19 | H37 | 109.3° | 109.5° |
| C20 | C19 | H38 | 109.3° | 109.5° |
| C9 | C11 | C12 | 111.8° | 109.5° |
| C11 | C9 | N8 | 109.4° | 109.4° |
| C11 | C9 | H23 | 109.2° | 109.5° |
| C9 | C11 | H32 | 108.9° | 109.5° |
| C9 | C11 | H33 | 108.9° | 109.5° |
| C11 | C12 | C29 | 120.2° | 119.9° |
| C12 | C11 | H32 | 108.9° | 109.4° |
| C12 | C11 | H33 | 108.9° | 109.4° |
| C6 | N8 | C9 | 120.4° | 120.0° |
| N8 | C6 | O7 | 120.3° | 120.0° |
| C6 | N8 | H24 | 119.8° | 120.0° |
| N8 | C9 | H23 | 110.1° | 109.5° |
| C9 | N8 | H24 | 119.8° | 120.0° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C21 | C22 | H8 | 119.9° | 120.0° |
| C12 | C29 | C28 | 120.1° | 120.1° |
| C12 | C29 | H34 | 119.9° | 120.0° |
| C36 | C35 | C34 | 109.2° | 109.4° |
| C36 | C35 | H15 | 109.3° | 109.5° |
| C35 | C36 | H16 | 109.5° | 109.4° |
| C35 | C36 | H17 | 109.5° | 109.5° |
| C35 | C36 | H18 | 109.5° | 109.5° |
| C35 | C34 | C33 | 110.5° | 109.2° |
| C34 | C35 | H15 | 109.3° | 109.4° |
| C35 | C34 | H19 | 109.2° | 109.5° |
| C35 | C34 | H20 | 109.2° | 109.6° |
| C19 | C17 | N16 | 120.1° | 120.0° |
| C17 | C19 | H37 | 109.3° | 109.5° |
| C17 | C19 | H38 | 109.3° | 109.5° |
| C17 | N16 | C15 | 123.6° | 120.0° |
| C17 | N16 | H36 | 118.2° | 120.0° |
| C3 | C2 | C4 | 109.0° | 109.5° |
| C3 | C2 | C1 | 109.8° | 109.5° |
| C3 | C2 | H25 | 109.4° | 109.5° |
| C2 | C3 | H26 | 109.5° | 109.4° |
| C2 | C3 | H27 | 109.5° | 109.4° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| CL1 | C24 | C23 | 120.1° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C24 | C23 | H40 | 120.0° | 120.0° |
| N16 | C15 | C28 | 119.8° | 120.1° |
| C15 | N16 | H36 | 118.2° | 120.0° |
| C15 | C28 | C29 | 120.6° | 119.9° |
| C15 | C28 | H10 | 119.7° | 120.0° |
| C4 | C2 | C1 | 109.8° | 109.5° |
| C2 | C4 | H1 | 109.6° | 109.5° |
| C2 | C4 | H2 | 109.6° | 109.4° |
| C4 | C2 | H25 | 109.4° | 109.5° |
| C1 | C2 | H25 | 109.4° | 109.5° |
| C2 | C1 | H29 | 109.5° | 109.5° |
| C2 | C1 | H30 | 109.5° | 109.5° |
| C2 | C1 | H31 | 109.4° | 109.5° |
| C23 | C22 | H8 | 119.9° | 120.0° |
| C22 | C23 | H40 | 120.0° | 120.0° |
| C33 | C34 | H19 | 109.2° | 109.6° |
| C33 | C34 | H20 | 109.2° | 109.5° |
| C34 | C33 | H21 | 108.7° | 109.7° |
| C34 | C33 | H22 | 108.7° | 109.7° |
| C29 | C28 | H10 | 119.7° | 120.0° |
| C28 | C29 | H34 | 119.9° | 119.9° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H11 | C38 | H12 | 109.5° | 109.7° |
| H13 | C37 | H14 | 109.5° | 109.5° |
| H16 | C36 | H17 | 109.5° | 109.4° |
| H16 | C36 | H18 | 109.4° | 109.5° |
| H17 | C36 | H18 | 109.5° | 109.5° |
| H19 | C34 | H20 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.4° | 109.7° |
| H26 | C3 | H27 | 109.5° | 109.5° |
| H26 | C3 | H28 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.4° | 109.5° |
| H29 | C1 | H31 | 109.5° | 109.5° |
| H30 | C1 | H31 | 109.5° | 109.5° |
| H32 | C11 | H33 | 109.4° | 109.5° |
| H37 | C19 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C30 | N32 | C38 | 0.3° | 3.8° |
| O31 | C30 | N32 | C9 | 179.6° | 180.0° |
| O31 | C30 | N32 | C33 | 179.9° | 176.5° |
| O31 | C30 | C9 | C11 | 69.0° | 109.1° |
| O31 | C30 | C9 | N8 | 50.7° | 10.9° |
| O31 | C30 | C9 | H23 | 171.6° | 130.9° |
| C37 | C38 | N32 | H11 | 120.3° | 119.8° |
| C37 | C38 | N32 | H12 | 120.3° | 119.8° |
| C38 | C37 | C35 | H13 | 120.7° | 120.0° |
| C38 | C37 | C35 | H14 | 120.7° | 119.9° |
| C37 | C38 | N32 | C30 | 128.6° | 126.4° |
| C37 | C38 | N32 | C33 | 51.8° | 53.8° |
| C38 | C37 | C35 | C36 | 159.3° | 178.6° |
| C38 | C37 | C35 | C34 | 39.1° | 61.4° |
| C37 | C38 | H11 | H12 | 118.9° | 120.4° |
| C38 | C37 | H13 | H14 | 117.9° | 120.0° |
| C38 | C37 | C35 | H15 | 81.1° | 58.6° |
| N32 | C38 | C37 | C35 | 15.0° | 54.6° |
| C38 | N32 | C30 | C33 | 179.6° | 179.8° |
| C38 | N32 | C30 | C9 | 179.9° | 176.3° |
| C38 | N32 | C33 | C34 | 28.2° | 53.9° |
| N32 | C38 | H11 | H12 | 119.0° | 120.3° |
| N32 | C38 | C37 | H13 | 135.6° | 65.4° |
| N32 | C38 | C37 | H14 | 105.7° | 174.6° |
| C38 | N32 | C33 | H21 | 148.6° | 66.0° |
| C38 | N32 | C33 | H22 | 92.3° | 173.6° |
| C37 | C35 | C36 | C34 | 120.9° | 120.1° |
| C37 | C35 | C36 | H15 | 119.5° | 120.0° |
| C37 | C35 | C34 | H15 | 120.2° | 120.0° |
| C37 | C35 | C34 | C33 | 62.6° | 61.4° |
| C35 | C37 | C38 | H11 | 135.3° | 174.4° |
| C35 | C37 | C38 | H12 | 105.4° | 65.1° |
| C35 | C37 | H13 | H14 | 117.9° | 120.1° |
| C37 | C35 | C36 | H16 | 180.0° | 60.0° |
| C37 | C35 | C36 | H17 | 60.0° | 180.0° |
| C37 | C35 | C36 | H18 | 60.0° | 60.0° |
| C37 | C35 | C34 | H19 | 57.5° | 58.5° |
| C37 | C35 | C34 | H20 | 177.2° | 178.7° |
| C14 | C13 | C12 | H5 | 180.0° | 179.7° |
| C13 | C14 | C15 | H35 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 179.6° | 180.0° |
| C14 | C13 | C12 | C29 | 0.1° | 0.0° |
| C13 | C14 | C15 | N16 | 179.3° | 180.0° |
| C13 | C14 | C15 | C28 | 0.7° | 0.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | C9 | 109.2° | 90.0° |
| C13 | C12 | C11 | C29 | 179.4° | 179.9° |
| C13 | C12 | C29 | C28 | 0.2° | 0.0° |
| C13 | C12 | C11 | H32 | 11.2° | 30.1° |
| C13 | C12 | C11 | H33 | 130.4° | 150.0° |
| C13 | C12 | C29 | H34 | 179.8° | 180.0° |
| C12 | C13 | C14 | H35 | 179.7° | 180.0° |
| N32 | C30 | C9 | C11 | 110.6° | 71.0° |
| N32 | C30 | C9 | N8 | 129.7° | 169.1° |
| C30 | N32 | C33 | C34 | 152.2° | 126.4° |
| C30 | N32 | C38 | H11 | 8.2° | 6.6° |
| C30 | N32 | C38 | H12 | 111.1° | 113.8° |
| C30 | N32 | C33 | H21 | 31.7° | 113.8° |
| C30 | N32 | C33 | H22 | 87.3° | 6.6° |
| N32 | C30 | C9 | H23 | 8.8° | 49.0° |
| C9 | C30 | N32 | C33 | 0.5° | 3.5° |
| C30 | C9 | C11 | N8 | 119.9° | 120.0° |
| C30 | C9 | C11 | H23 | 119.5° | 120.0° |
| C30 | C9 | C11 | C12 | 64.0° | 173.5° |
| C30 | C9 | N8 | C6 | 54.6° | 85.0° |
| C30 | C9 | N8 | H23 | 120.5° | 120.0° |
| C30 | C9 | N8 | H24 | 125.4° | 94.9° |
| C30 | C9 | C11 | H32 | 56.4° | 53.5° |
| C30 | C9 | C11 | H33 | 175.6° | 66.5° |
| O18 | C17 | C19 | C20 | 73.0° | 0.1° |
| O18 | C17 | C19 | N16 | 179.7° | 179.9° |
| O18 | C17 | N16 | C15 | 0.9° | 4.3° |
| O18 | C17 | N16 | H36 | 179.1° | 175.6° |
| O18 | C17 | C19 | H37 | 47.1° | 120.1° |
| O18 | C17 | C19 | H38 | 166.9° | 120.0° |
| C14 | C15 | N16 | C17 | 35.5° | 146.6° |
| C14 | C15 | N16 | C28 | 178.6° | 179.9° |
| C14 | C15 | C28 | C29 | 0.6° | 0.1° |
| C15 | C14 | C13 | H5 | 179.7° | 179.7° |
| C14 | C15 | C28 | H10 | 179.4° | 180.0° |
| C14 | C15 | N16 | H36 | 144.5° | 33.4° |
| C26 | C27 | C21 | H39 | 180.0° | 179.9° |
| C27 | C26 | C24 | H9 | 180.0° | 179.9° |
| C26 | C27 | C21 | C20 | 179.5° | 180.0° |
| C26 | C27 | C21 | C22 | 0.0° | 0.2° |
| C27 | C26 | C24 | CL1 | 179.8° | 179.9° |
| C27 | C26 | C24 | C23 | 0.1° | 0.4° |
| C21 | C27 | C26 | C24 | 0.0° | 0.1° |
| C27 | C21 | C20 | C22 | 179.5° | 179.8° |
| C27 | C21 | C20 | C19 | 89.0° | 90.2° |
| C27 | C21 | C22 | C23 | 0.1° | 0.3° |
| C27 | C21 | C20 | H6 | 30.9° | 29.8° |
| C27 | C21 | C20 | H7 | 151.0° | 149.7° |
| C27 | C21 | C22 | H8 | 179.9° | 179.8° |
| C21 | C27 | C26 | H9 | 180.0° | 179.9° |
| C6 | C5 | C4 | H3 | 120.1° | 120.1° |
| C6 | C5 | C4 | H4 | 120.1° | 120.0° |
| C5 | C6 | N8 | O7 | 179.6° | 180.0° |
| C5 | C6 | N8 | C9 | 179.7° | 180.0° |
| C6 | C5 | C4 | C2 | 162.9° | 180.0° |
| C6 | C5 | C4 | H1 | 77.2° | 60.0° |
| C6 | C5 | C4 | H2 | 42.9° | 60.0° |
| C6 | C5 | H3 | H4 | 119.8° | 119.9° |
| C5 | C6 | N8 | H24 | 0.3° | 0.0° |
| C4 | C5 | C6 | N8 | 103.9° | 180.0° |
| C4 | C5 | C6 | O7 | 76.5° | 0.0° |
| C5 | C4 | C2 | C3 | 66.6° | 65.0° |
| C5 | C4 | C2 | H1 | 119.9° | 119.9° |
| C5 | C4 | C2 | H2 | 119.9° | 120.0° |
| C5 | C4 | C2 | C1 | 173.1° | 175.0° |
| C5 | C4 | H1 | H2 | 120.2° | 120.0° |
| C4 | C5 | H3 | H4 | 119.8° | 120.0° |
| C5 | C4 | C2 | H25 | 53.0° | 55.0° |
| N32 | C33 | C34 | C35 | 29.2° | 54.8° |
| N32 | C33 | C34 | H21 | 120.5° | 119.8° |
| N32 | C33 | C34 | H22 | 120.5° | 119.7° |
| C33 | N32 | C38 | H11 | 172.1° | 173.6° |
| C33 | N32 | C38 | H12 | 68.5° | 66.0° |
| N32 | C33 | C34 | H19 | 90.9° | 65.1° |
| N32 | C33 | C34 | H20 | 149.4° | 174.8° |
| N32 | C33 | H21 | H22 | 118.6° | 120.3° |
| C26 | C24 | CL1 | C23 | 180.0° | 179.7° |
| C26 | C24 | C23 | C22 | 0.3° | 0.3° |
| C24 | C26 | C27 | H39 | 180.0° | 179.9° |
| C26 | C24 | C23 | H40 | 179.7° | 179.8° |
| C21 | C20 | C19 | H6 | 120.0° | 120.0° |
| C21 | C20 | C19 | H7 | 120.0° | 120.0° |
| C21 | C20 | C19 | C17 | 73.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C21 | C20 | H6 | H7 | 120.1° | 119.9° |
| C20 | C21 | C22 | H8 | 0.4° | 0.0° |
| C21 | C20 | C19 | H37 | 166.9° | 59.9° |
| C21 | C20 | C19 | H38 | 47.1° | 60.0° |
| C20 | C21 | C27 | H39 | 0.5° | 0.0° |
| C19 | C20 | C21 | C22 | 90.5° | 90.0° |
| C20 | C19 | C17 | H37 | 120.1° | 120.0° |
| C20 | C19 | C17 | H38 | 120.1° | 120.0° |
| C20 | C19 | C17 | N16 | 107.4° | 180.0° |
| C19 | C20 | H6 | H7 | 120.1° | 120.0° |
| C20 | C19 | H37 | H38 | 119.7° | 120.0° |
| C9 | C11 | C12 | H32 | 120.4° | 120.0° |
| C9 | C11 | C12 | H33 | 120.4° | 120.0° |
| C11 | C9 | N8 | C6 | 174.0° | 155.0° |
| C11 | C9 | N8 | H23 | 120.0° | 120.1° |
| C9 | C11 | C12 | C29 | 71.4° | 90.0° |
| C11 | C9 | N8 | H24 | 6.0° | 25.0° |
| C9 | C11 | H32 | H33 | 119.0° | 120.1° |
| C12 | C11 | C9 | N8 | 176.1° | 66.5° |
| C11 | C12 | C29 | C28 | 179.6° | 179.9° |
| C11 | C12 | C13 | H5 | 0.5° | 0.3° |
| C12 | C11 | C9 | H23 | 55.5° | 53.5° |
| C12 | C11 | H32 | H33 | 118.9° | 119.9° |
| C11 | C12 | C29 | H34 | 0.4° | 0.0° |
| C6 | N8 | C9 | H24 | 180.0° | 179.9° |
| N8 | C6 | C5 | H3 | 16.2° | 60.0° |
| N8 | C6 | C5 | H4 | 136.0° | 60.0° |
| C6 | N8 | C9 | H23 | 66.0° | 35.0° |
| C9 | N8 | C6 | O7 | 0.1° | 0.0° |
| N8 | C9 | C11 | H32 | 63.5° | 173.5° |
| N8 | C9 | C11 | H33 | 55.8° | 53.5° |
| O7 | C6 | C5 | H3 | 163.4° | 120.0° |
| O7 | C6 | C5 | H4 | 43.6° | 120.0° |
| O7 | C6 | N8 | H24 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H8 | 180.0° | 180.0° |
| C22 | C21 | C20 | H6 | 149.6° | 150.0° |
| C22 | C21 | C20 | H7 | 29.5° | 30.0° |
| C22 | C21 | C27 | H39 | 180.0° | 179.7° |
| C21 | C22 | C23 | H40 | 179.8° | 179.9° |
| C12 | C29 | C28 | C15 | 0.2° | 0.1° |
| C12 | C29 | C28 | H34 | 180.0° | 180.0° |
| C29 | C12 | C13 | H5 | 179.9° | 179.7° |
| C12 | C29 | C28 | H10 | 179.8° | 180.0° |
| C29 | C12 | C11 | H32 | 168.2° | 150.0° |
| C29 | C12 | C11 | H33 | 49.0° | 30.0° |
| C36 | C35 | C34 | H15 | 119.6° | 120.0° |
| C36 | C35 | C34 | C33 | 177.1° | 178.5° |
| C36 | C35 | C37 | H13 | 38.6° | 61.4° |
| C36 | C35 | C37 | H14 | 80.0° | 58.7° |
| C35 | C36 | H16 | H17 | 120.0° | 119.9° |
| C35 | C36 | H16 | H18 | 120.0° | 120.0° |
| C35 | C36 | H17 | H18 | 120.0° | 120.0° |
| C36 | C35 | C34 | H19 | 62.7° | 61.5° |
| C36 | C35 | C34 | H20 | 57.0° | 58.6° |
| C35 | C34 | C33 | H19 | 120.2° | 119.9° |
| C35 | C34 | C33 | H20 | 120.1° | 119.9° |
| C34 | C35 | C37 | H13 | 81.6° | 58.6° |
| C34 | C35 | C37 | H14 | 159.8° | 178.7° |
| C34 | C35 | C36 | H16 | 59.1° | 179.9° |
| C34 | C35 | C36 | H17 | 60.9° | 59.9° |
| C34 | C35 | C36 | H18 | 179.1° | 60.1° |
| C35 | C34 | H19 | H20 | 119.6° | 120.2° |
| C35 | C34 | C33 | H21 | 91.2° | 64.9° |
| C35 | C34 | C33 | H22 | 149.7° | 174.5° |
| C19 | C17 | N16 | C15 | 179.4° | 175.6° |
| C17 | C19 | C20 | H6 | 47.0° | 60.0° |
| C17 | C19 | C20 | H7 | 167.0° | 60.0° |
| C19 | C17 | N16 | H36 | 0.6° | 4.5° |
| C17 | C19 | H37 | H38 | 119.7° | 120.0° |
| C17 | N16 | C15 | H36 | 180.0° | 180.0° |
| C17 | N16 | C15 | C28 | 145.9° | 33.3° |
| N16 | C17 | C19 | H37 | 132.6° | 60.0° |
| N16 | C17 | C19 | H38 | 12.7° | 59.9° |
| C3 | C2 | C4 | C1 | 120.3° | 120.0° |
| C3 | C2 | C4 | H25 | 119.6° | 120.0° |
| C3 | C2 | C1 | H25 | 120.1° | 120.0° |
| C3 | C2 | C4 | H1 | 173.4° | 55.0° |
| C3 | C2 | C4 | H2 | 53.3° | 175.0° |
| C2 | C3 | H26 | H27 | 120.0° | 120.0° |
| C2 | C3 | H26 | H28 | 120.0° | 120.0° |
| C2 | C3 | H27 | H28 | 120.0° | 120.0° |
| C3 | C2 | C1 | H29 | 180.0° | 180.0° |
| C3 | C2 | C1 | H30 | 60.0° | 60.0° |
| C3 | C2 | C1 | H31 | 60.0° | 60.0° |
| CL1 | C24 | C23 | C22 | 179.7° | 180.0° |
| CL1 | C24 | C26 | H9 | 0.2° | 0.0° |
| CL1 | C24 | C23 | H40 | 0.3° | 0.0° |
| C24 | C23 | C22 | H40 | 180.0° | 180.0° |
| C24 | C23 | C22 | H8 | 179.8° | 180.0° |
| C23 | C24 | C26 | H9 | 179.9° | 179.7° |
| N16 | C15 | C28 | C29 | 179.2° | 180.0° |
| N16 | C15 | C28 | H10 | 0.8° | 0.1° |
| N16 | C15 | C14 | H35 | 0.7° | 0.0° |
| C15 | C28 | C29 | H10 | 180.0° | 179.9° |
| C15 | C28 | C29 | H34 | 179.8° | 180.0° |
| C28 | C15 | C14 | H35 | 179.3° | 179.9° |
| C28 | C15 | N16 | H36 | 34.1° | 146.7° |
| C4 | C2 | C1 | H25 | 120.1° | 120.0° |
| C2 | C4 | H1 | H2 | 120.2° | 120.0° |
| C2 | C4 | C5 | H3 | 42.8° | 60.0° |
| C2 | C4 | C5 | H4 | 77.1° | 60.0° |
| C4 | C2 | C3 | H26 | 180.0° | 60.0° |
| C4 | C2 | C3 | H27 | 60.0° | 180.0° |
| C4 | C2 | C3 | H28 | 60.0° | 60.0° |
| C4 | C2 | C1 | H29 | 60.2° | 60.0° |
| C4 | C2 | C1 | H30 | 59.8° | 180.0° |
| C4 | C2 | C1 | H31 | 179.8° | 60.0° |
| C1 | C2 | C4 | H1 | 53.2° | 65.0° |
| C1 | C2 | C4 | H2 | 67.0° | 55.0° |
| C1 | C2 | C3 | H26 | 59.7° | 60.0° |
| C1 | C2 | C3 | H27 | 60.3° | 60.0° |
| C1 | C2 | C3 | H28 | 179.7° | 180.0° |
| C2 | C1 | H29 | H30 | 120.0° | 120.0° |
| C2 | C1 | H29 | H31 | 120.0° | 120.0° |
| C2 | C1 | H30 | H31 | 120.0° | 120.0° |
| C33 | C34 | C35 | H15 | 57.5° | 58.6° |
| C33 | C34 | H19 | H20 | 119.5° | 120.1° |
| C34 | C33 | H21 | H22 | 118.6° | 120.6° |
| H1 | C4 | C5 | H3 | 162.7° | 60.0° |
| H1 | C4 | C5 | H4 | 42.9° | 180.0° |
| H1 | C4 | C2 | H25 | 66.9° | 175.0° |
| H2 | C4 | C5 | H3 | 77.2° | 180.0° |
| H2 | C4 | C5 | H4 | 163.0° | 60.0° |
| H2 | C4 | C2 | H25 | 172.9° | 65.0° |
| H5 | C13 | C14 | H35 | 0.3° | 0.3° |
| H6 | C20 | C19 | H37 | 73.1° | 60.0° |
| H6 | C20 | C19 | H38 | 167.1° | 180.0° |
| H7 | C20 | C19 | H37 | 47.0° | 180.0° |
| H7 | C20 | C19 | H38 | 72.9° | 60.0° |
| H8 | C22 | C23 | H40 | 0.2° | 0.0° |
| H9 | C26 | C27 | H39 | 0.0° | 0.0° |
| H10 | C28 | C29 | H34 | 0.2° | 0.0° |
| H11 | C38 | C37 | H13 | 104.0° | 54.4° |
| H11 | C38 | C37 | H14 | 14.6° | 65.7° |
| H12 | C38 | C37 | H13 | 15.2° | 174.9° |
| H12 | C38 | C37 | H14 | 133.9° | 54.8° |
| H13 | C37 | C35 | H15 | 158.2° | 178.6° |
| H14 | C37 | C35 | H15 | 39.5° | 61.3° |
| H15 | C35 | C36 | H16 | 60.5° | 59.9° |
| H15 | C35 | C36 | H17 | 179.5° | 60.0° |
| H15 | C35 | C36 | H18 | 59.5° | 180.0° |
| H15 | C35 | C34 | H19 | 177.7° | 178.6° |
| H15 | C35 | C34 | H20 | 62.6° | 61.3° |
| H16 | C36 | H17 | H18 | 120.0° | 120.0° |
| H19 | C34 | C33 | H21 | 148.6° | 175.1° |
| H19 | C34 | C33 | H22 | 29.5° | 54.6° |
| H20 | C34 | C33 | H21 | 28.9° | 55.0° |
| H20 | C34 | C33 | H22 | 90.2° | 65.5° |
| H23 | C9 | N8 | H24 | 114.0° | 145.1° |
| H23 | C9 | C11 | H32 | 175.9° | 66.5° |
| H23 | C9 | C11 | H33 | 64.8° | 173.5° |
| H25 | C2 | C3 | H26 | 60.4° | 180.0° |
| H25 | C2 | C3 | H27 | 179.6° | 60.0° |
| H25 | C2 | C3 | H28 | 59.6° | 60.0° |
| H25 | C2 | C1 | H29 | 59.9° | 60.0° |
| H25 | C2 | C1 | H30 | 179.9° | 60.0° |
| H25 | C2 | C1 | H31 | 60.1° | NaN° |
| H26 | C3 | H27 | H28 | 120.0° | 120.0° |
| H29 | C1 | H30 | H31 | 120.0° | 120.0° |
