9IB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C41 | sing | 1.51Å | 1.50Å | |
| C1 | N2 | sing | 1.47Å | 1.44Å | |
| C39 | N40 | sing | 1.47Å | 1.47Å | |
| C39 | C38 | sing | 1.54Å | 1.52Å | |
| C41 | N40 | sing | 1.35Å | 1.39Å | |
| C41 | O42 | doub | 1.21Å | 1.22Å | |
| O5 | C4 | doub | 1.21Å | 1.22Å | |
| N40 | C35 | sing | 1.47Å | 1.47Å | |
| C38 | C37 | sing | 1.55Å | 1.53Å | |
| N2 | C4 | sing | 1.35Å | 1.40Å | |
| N2 | C3 | sing | 1.46Å | 1.45Å | |
| C4 | C6 | sing | 1.50Å | 1.51Å | |
| C35 | C37 | sing | 1.55Å | 1.53Å | |
| C35 | C33 | sing | 1.51Å | 1.50Å | |
| O24 | C23 | doub | 1.21Å | 1.22Å | |
| O34 | C33 | doub | 1.21Å | 1.23Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | N46 | sing | 1.48Å | 1.45Å | |
| C33 | N32 | sing | 1.35Å | 1.38Å | |
| C8 | S9 | sing | 1.81Å | 1.84Å | |
| C23 | O25 | sing | 1.35Å | 1.36Å | |
| C23 | C21 | sing | 1.48Å | 1.48Å | |
| N46 | C44 | sing | 1.37Å | 1.39Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| N32 | C30 | sing | 1.47Å | 1.45Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C30 | sing | 1.51Å | 1.53Å | |
| C44 | O45 | doub | 1.21Å | 1.22Å | |
| S9 | C10 | sing | 1.82Å | 1.82Å | |
| C22 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.52Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.46Å | |
| C29 | O28 | sing | 1.44Å | 1.45Å | |
| C11 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| O28 | C26 | sing | 1.34Å | 1.36Å | |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C26 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | O27 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.11Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| O25 | H21 | sing | 0.97Å | 0.95Å | |
| C29 | H22 | sing | 1.10Å | 1.10Å | |
| C29 | H23 | sing | 1.10Å | 1.10Å | |
| N32 | H24 | sing | 0.97Å | 1.00Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| N46 | H34 | sing | 0.99Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C41 | N40 | 115.1° | 120.0° |
| C43 | C41 | O42 | 120.9° | 120.0° |
| C41 | C43 | H31 | 109.5° | 109.5° |
| C41 | C43 | H32 | 109.5° | 109.5° |
| C41 | C43 | H33 | 109.5° | 109.5° |
| C1 | N2 | C4 | 117.8° | 120.0° |
| C1 | N2 | C3 | 115.9° | 120.1° |
| N2 | C1 | H1 | 109.5° | 109.4° |
| N2 | C1 | H2 | 109.5° | 109.4° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N40 | C39 | C38 | 102.9° | 107.2° |
| C39 | N40 | C41 | 125.7° | 125.6° |
| C39 | N40 | C35 | 110.6° | 108.8° |
| N40 | C39 | H29 | 111.1° | 109.9° |
| N40 | C39 | H30 | 111.1° | 109.9° |
| C39 | C38 | C37 | 103.8° | 103.0° |
| C39 | C38 | H27 | 110.8° | 110.7° |
| C39 | C38 | H28 | 110.9° | 110.8° |
| C38 | C39 | H29 | 111.1° | 109.8° |
| C38 | C39 | H30 | 111.1° | 109.9° |
| N40 | C41 | O42 | 123.9° | 120.0° |
| C41 | N40 | C35 | 121.9° | 125.6° |
| O5 | C4 | N2 | 121.2° | 120.0° |
| O5 | C4 | C6 | 121.1° | 120.0° |
| N40 | C35 | C37 | 105.6° | 104.8° |
| N40 | C35 | C33 | 104.8° | 110.4° |
| N40 | C35 | H18 | 113.0° | 110.5° |
| C38 | C37 | C35 | 103.8° | 101.6° |
| C38 | C37 | H25 | 110.9° | 111.0° |
| C38 | C37 | H26 | 110.9° | 111.1° |
| C37 | C38 | H27 | 110.9° | 110.7° |
| C37 | C38 | H28 | 110.8° | 110.7° |
| C4 | N2 | C3 | 126.3° | 120.0° |
| N2 | C4 | C6 | 117.7° | 120.0° |
| N2 | C3 | H4 | 109.5° | 109.5° |
| N2 | C3 | H5 | 109.5° | 109.5° |
| N2 | C3 | H6 | 109.5° | 109.4° |
| C4 | C6 | C8 | 111.1° | 111.4° |
| C4 | C6 | N46 | 101.5° | 113.0° |
| C4 | C6 | H19 | 110.3° | 107.4° |
| C37 | C35 | C33 | 108.4° | 110.3° |
| C37 | C35 | H18 | 112.1° | 110.4° |
| C35 | C37 | H25 | 110.9° | 111.0° |
| C35 | C37 | H26 | 110.9° | 111.0° |
| C35 | C33 | O34 | 123.5° | 120.0° |
| C35 | C33 | N32 | 109.7° | 120.0° |
| C33 | C35 | H18 | 112.5° | 110.4° |
| O24 | C23 | O25 | 126.0° | 120.0° |
| O24 | C23 | C21 | 124.3° | 120.0° |
| O34 | C33 | N32 | 126.8° | 120.0° |
| C8 | C6 | N46 | 112.5° | 109.8° |
| C6 | C8 | S9 | 115.8° | 110.3° |
| C6 | C8 | H7 | 107.9° | 109.5° |
| C6 | C8 | H8 | 107.9° | 109.3° |
| C8 | C6 | H19 | 110.0° | 107.4° |
| C6 | N46 | C44 | 125.3° | 118.9° |
| N46 | C6 | H19 | 111.2° | 107.5° |
| C6 | N46 | H34 | 117.3° | 120.9° |
| C33 | N32 | C30 | 122.3° | 120.0° |
| C33 | N32 | H24 | 118.9° | 120.0° |
| C8 | S9 | C10 | 105.1° | 102.9° |
| S9 | C8 | H7 | 107.9° | 109.4° |
| S9 | C8 | H8 | 107.9° | 109.4° |
| O25 | C23 | C21 | 109.7° | 120.0° |
| C23 | O25 | H21 | 109.5° | 117.0° |
| C23 | C21 | C20 | 120.1° | 120.1° |
| C23 | C21 | C22 | 119.0° | 120.1° |
| N46 | C44 | C30 | 116.5° | 116.4° |
| N46 | C44 | O45 | 123.6° | 124.1° |
| C44 | N46 | H34 | 117.3° | 120.2° |
| C21 | C20 | C19 | 119.8° | 120.1° |
| C20 | C21 | C22 | 121.0° | 119.8° |
| C21 | C20 | H15 | 120.1° | 120.0° |
| C20 | C19 | C18 | 119.3° | 120.2° |
| C20 | C19 | H14 | 120.3° | 119.9° |
| C19 | C20 | H15 | 120.1° | 119.9° |
| C21 | C22 | C17 | 119.3° | 119.7° |
| C21 | C22 | H16 | 120.4° | 120.1° |
| N32 | C30 | C44 | 114.1° | 108.8° |
| N32 | C30 | C29 | 111.0° | 109.4° |
| N32 | C30 | H17 | 108.4° | 108.8° |
| C30 | N32 | H24 | 118.8° | 120.0° |
| C19 | C18 | C17 | 121.0° | 120.2° |
| C18 | C19 | H14 | 120.4° | 119.9° |
| C19 | C18 | H20 | 119.5° | 119.9° |
| C30 | C44 | O45 | 119.9° | 119.5° |
| C44 | C30 | C29 | 108.2° | 111.2° |
| C44 | C30 | H17 | 107.4° | 109.0° |
| S9 | C10 | C11 | 113.2° | 109.1° |
| S9 | C10 | H9 | 108.5° | 109.7° |
| S9 | C10 | H10 | 108.5° | 109.1° |
| C22 | C17 | C18 | 119.7° | 119.9° |
| C22 | C17 | C16 | 119.2° | 120.0° |
| C17 | C22 | H16 | 120.3° | 120.1° |
| C30 | C29 | O28 | 114.4° | 113.0° |
| C29 | C30 | H17 | 107.5° | 109.6° |
| C30 | C29 | H22 | 108.2° | 109.0° |
| C30 | C29 | H23 | 108.2° | 108.7° |
| C10 | C11 | C16 | 117.3° | 121.4° |
| C10 | C11 | C12 | 125.3° | 119.2° |
| C11 | C10 | H9 | 108.5° | 111.9° |
| C11 | C10 | H10 | 108.5° | 109.3° |
| C18 | C17 | C16 | 121.1° | 120.1° |
| C17 | C18 | H20 | 119.5° | 119.9° |
| C17 | C16 | C11 | 123.3° | 121.4° |
| C17 | C16 | C15 | 114.5° | 118.6° |
| C29 | O28 | C26 | 115.3° | 122.1° |
| O28 | C29 | H22 | 108.2° | 109.4° |
| O28 | C29 | H23 | 108.2° | 109.2° |
| C16 | C11 | C12 | 117.4° | 119.4° |
| C11 | C16 | C15 | 122.1° | 120.0° |
| C11 | C12 | C26 | 128.5° | 121.7° |
| C11 | C12 | C13 | 119.7° | 119.8° |
| O28 | C26 | C12 | 116.9° | 119.8° |
| O28 | C26 | O27 | 123.2° | 120.8° |
| C16 | C15 | C14 | 119.3° | 120.4° |
| C16 | C15 | H13 | 120.3° | 119.5° |
| C26 | C12 | C13 | 111.9° | 118.5° |
| C12 | C26 | O27 | 119.9° | 119.4° |
| C12 | C13 | C14 | 121.5° | 120.4° |
| C12 | C13 | H11 | 119.2° | 119.7° |
| C15 | C14 | C13 | 120.0° | 119.9° |
| C15 | C14 | H12 | 120.0° | 120.1° |
| C14 | C15 | H13 | 120.3° | 120.0° |
| C14 | C13 | H11 | 119.3° | 120.0° |
| C13 | C14 | H12 | 120.0° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H6 | 109.4° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 108.9° |
| H9 | C10 | H10 | 109.5° | 107.8° |
| H22 | C29 | H23 | 109.5° | 107.4° |
| H25 | C37 | H26 | 109.5° | 110.9° |
| H27 | C38 | H28 | 109.5° | 110.7° |
| H29 | C39 | H30 | 109.4° | 110.0° |
| H31 | C43 | H32 | 109.5° | 109.5° |
| H31 | C43 | H33 | 109.5° | 109.4° |
| H32 | C43 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C41 | N40 | C39 | 19.5° | 0.0° |
| C43 | C41 | N40 | O42 | 178.6° | 180.0° |
| C43 | C41 | N40 | C35 | 177.3° | 180.0° |
| C41 | C43 | H31 | H32 | 120.0° | 120.0° |
| C41 | C43 | H31 | H33 | 120.0° | 120.0° |
| C41 | C43 | H32 | H33 | 120.0° | 120.0° |
| C1 | N2 | C4 | O5 | 0.2° | 0.0° |
| C1 | N2 | C4 | C3 | 178.8° | 179.9° |
| C1 | N2 | C4 | C6 | 178.9° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 119.9° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | N2 | C3 | H4 | 180.0° | 90.0° |
| C1 | N2 | C3 | H5 | 60.0° | 150.0° |
| C1 | N2 | C3 | H6 | 60.0° | 29.9° |
| N40 | C39 | C38 | H29 | 118.9° | 119.4° |
| N40 | C39 | C38 | H30 | 119.0° | 119.4° |
| C39 | N40 | C41 | C35 | 163.2° | 180.0° |
| C39 | N40 | C41 | O42 | 161.9° | 180.0° |
| N40 | C39 | C38 | C37 | 35.7° | 22.2° |
| C39 | N40 | C35 | C37 | 3.2° | 24.1° |
| C39 | N40 | C35 | C33 | 117.6° | 142.9° |
| C39 | N40 | C35 | H18 | 119.6° | 94.7° |
| N40 | C39 | C38 | H27 | 154.8° | 140.6° |
| N40 | C39 | C38 | H28 | 83.4° | 96.2° |
| N40 | C39 | H29 | H30 | 123.1° | 121.1° |
| C38 | C39 | N40 | C41 | 170.8° | 179.0° |
| C38 | C39 | N40 | C35 | 24.4° | 1.1° |
| C39 | C38 | C37 | H27 | 119.1° | 118.4° |
| C39 | C38 | C37 | H28 | 119.1° | 118.5° |
| C39 | C38 | C37 | C35 | 34.1° | 35.5° |
| C39 | C38 | C37 | H25 | 85.0° | 82.6° |
| C39 | C38 | C37 | H26 | 153.2° | 153.5° |
| C39 | C38 | H27 | H28 | 122.6° | 123.3° |
| C38 | C39 | H29 | H30 | 123.0° | 121.1° |
| C41 | N40 | C35 | C37 | 168.7° | 155.9° |
| C41 | N40 | C35 | C33 | 77.0° | 37.1° |
| C41 | N40 | C35 | H18 | 45.9° | 85.2° |
| C41 | N40 | C39 | H29 | 70.3° | 59.6° |
| C41 | N40 | C39 | H30 | 51.8° | 61.6° |
| N40 | C41 | C43 | H31 | 178.6° | 90.0° |
| N40 | C41 | C43 | H32 | 58.6° | 150.0° |
| N40 | C41 | C43 | H33 | 61.3° | 30.0° |
| O42 | C41 | N40 | C35 | 1.3° | 0.0° |
| O42 | C41 | C43 | H31 | 0.0° | 90.0° |
| O42 | C41 | C43 | H32 | 120.0° | 30.0° |
| O42 | C41 | C43 | H33 | 120.0° | 150.0° |
| O5 | C4 | N2 | C6 | 178.6° | 180.0° |
| O5 | C4 | N2 | C3 | 178.5° | 180.0° |
| O5 | C4 | C6 | C8 | 16.5° | 100.0° |
| O5 | C4 | C6 | N46 | 103.4° | 24.2° |
| O5 | C4 | C6 | H19 | 138.7° | 142.6° |
| N40 | C35 | C37 | C38 | 19.3° | 37.0° |
| N40 | C35 | C37 | C33 | 111.9° | 118.8° |
| N40 | C35 | C37 | H18 | 123.4° | 118.9° |
| N40 | C35 | C33 | H18 | 123.2° | 122.4° |
| N40 | C35 | C33 | O34 | 41.4° | 15.3° |
| N40 | C35 | C33 | N32 | 137.6° | 164.6° |
| N40 | C35 | C37 | H25 | 99.8° | 81.1° |
| N40 | C35 | C37 | H26 | 138.4° | 155.1° |
| C35 | N40 | C39 | H29 | 94.5° | 120.4° |
| C35 | N40 | C39 | H30 | 143.4° | 118.4° |
| C38 | C37 | C35 | H25 | 119.1° | 118.1° |
| C38 | C37 | C35 | H26 | 119.1° | 118.1° |
| C38 | C37 | C35 | C33 | 92.6° | 155.8° |
| C38 | C37 | C35 | H18 | 142.7° | 82.0° |
| C38 | C37 | H25 | H26 | 122.6° | 124.0° |
| C37 | C38 | H27 | H28 | 122.6° | 123.2° |
| C37 | C38 | C39 | H29 | 83.2° | 97.2° |
| C37 | C38 | C39 | H30 | 154.7° | 141.6° |
| N2 | C4 | C6 | C8 | 164.9° | 79.9° |
| N2 | C4 | C6 | N46 | 75.3° | 155.8° |
| C4 | N2 | C1 | H1 | 180.0° | 90.1° |
| C4 | N2 | C1 | H2 | 60.0° | 150.0° |
| C4 | N2 | C1 | H3 | 60.0° | 29.9° |
| C4 | N2 | C3 | H4 | 1.2° | 90.1° |
| C4 | N2 | C3 | H5 | 118.8° | 30.0° |
| C4 | N2 | C3 | H6 | 121.2° | 150.0° |
| N2 | C4 | C6 | H19 | 42.7° | 37.4° |
| C3 | N2 | C4 | C6 | 0.1° | 0.0° |
| C3 | N2 | C1 | H1 | 1.1° | 90.0° |
| C3 | N2 | C1 | H2 | 118.9° | 29.9° |
| C3 | N2 | C1 | H3 | 121.1° | 150.0° |
| N2 | C3 | H4 | H5 | 120.0° | 120.0° |
| N2 | C3 | H4 | H6 | 120.0° | 119.9° |
| N2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C4 | C6 | C8 | N46 | 113.0° | 126.0° |
| C4 | C6 | C8 | H19 | 122.4° | 117.4° |
| C4 | C6 | N46 | H19 | 117.3° | 118.4° |
| C4 | C6 | C8 | S9 | 168.3° | 45.6° |
| C4 | C6 | N46 | C44 | 139.0° | 51.0° |
| C4 | C6 | C8 | H7 | 70.8° | 166.0° |
| C4 | C6 | C8 | H8 | 47.3° | 74.7° |
| C4 | C6 | N46 | H34 | 41.0° | 129.3° |
| C37 | C35 | C33 | H18 | 124.5° | 122.2° |
| C37 | C35 | C33 | O34 | 71.0° | 100.1° |
| C37 | C35 | C33 | N32 | 110.0° | 80.0° |
| C35 | C37 | H25 | H26 | 122.7° | 123.8° |
| C35 | C37 | C38 | H27 | 153.1° | 153.9° |
| C35 | C37 | C38 | H28 | 85.0° | 83.0° |
| C35 | C33 | O34 | N32 | 178.8° | 179.9° |
| C35 | C33 | N32 | C30 | 175.1° | 179.9° |
| C35 | C33 | N32 | H24 | 4.9° | 0.0° |
| C33 | C35 | C37 | H25 | 148.4° | 37.8° |
| C33 | C35 | C37 | H26 | 26.5° | 86.0° |
| O24 | C23 | O25 | C21 | 178.0° | 180.0° |
| O24 | C23 | C21 | C20 | 10.1° | 180.0° |
| O24 | C23 | C21 | C22 | 170.6° | 0.0° |
| O24 | C23 | O25 | H21 | 0.0° | 0.0° |
| O34 | C33 | N32 | C30 | 5.9° | 0.1° |
| O34 | C33 | C35 | H18 | 164.6° | 137.7° |
| O34 | C33 | N32 | H24 | 174.1° | 179.9° |
| C8 | C6 | N46 | H19 | 123.9° | 116.6° |
| C6 | C8 | S9 | H7 | 120.9° | 120.5° |
| C6 | C8 | S9 | H8 | 120.9° | 120.3° |
| C8 | C6 | N46 | C44 | 102.2° | 74.1° |
| C6 | C8 | S9 | C10 | 100.0° | 136.2° |
| C6 | C8 | H7 | H8 | 117.1° | 119.5° |
| C8 | C6 | N46 | H34 | 77.8° | 105.7° |
| N46 | C6 | C8 | S9 | 55.3° | 80.4° |
| C6 | N46 | C44 | H34 | 180.0° | 179.7° |
| C6 | N46 | C44 | C30 | 176.4° | 172.8° |
| C6 | N46 | C44 | O45 | 0.4° | 7.7° |
| N46 | C6 | C8 | H7 | 176.2° | 40.1° |
| N46 | C6 | C8 | H8 | 65.6° | 159.3° |
| C33 | N32 | C30 | H24 | 180.0° | 180.0° |
| C33 | N32 | C30 | C44 | 70.0° | 83.3° |
| C33 | N32 | C30 | C29 | 167.4° | 155.0° |
| C33 | N32 | C30 | H17 | 49.6° | 35.3° |
| N32 | C33 | C35 | H18 | 14.4° | 42.2° |
| C8 | S9 | C10 | C11 | 177.6° | 160.5° |
| S9 | C8 | H7 | H8 | 117.1° | 119.5° |
| C8 | S9 | C10 | H9 | 57.1° | 76.6° |
| C8 | S9 | C10 | H10 | 61.8° | 41.2° |
| S9 | C8 | C6 | H19 | 69.3° | 163.0° |
| O25 | C23 | C21 | C20 | 167.9° | 0.1° |
| O25 | C23 | C21 | C22 | 11.4° | 180.0° |
| C23 | C21 | C20 | C22 | 179.3° | 179.9° |
| C23 | C21 | C20 | C19 | 179.9° | 180.0° |
| C23 | C21 | C22 | C17 | 179.9° | 180.0° |
| C23 | C21 | C20 | H15 | 0.1° | 0.0° |
| C23 | C21 | C22 | H16 | 0.1° | 0.1° |
| C21 | C23 | O25 | H21 | 178.0° | 180.0° |
| N46 | C44 | C30 | N32 | 6.2° | 62.4° |
| N46 | C44 | C30 | O45 | 176.9° | 179.5° |
| N46 | C44 | C30 | C29 | 117.8° | 177.1° |
| N46 | C44 | C30 | H17 | 126.4° | 56.1° |
| C44 | N46 | C6 | H19 | 21.7° | 169.3° |
| C21 | C20 | C19 | H15 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.8° | 0.0° |
| C20 | C21 | C22 | C17 | 0.6° | 0.1° |
| C21 | C20 | C19 | H14 | 179.2° | 179.8° |
| C20 | C21 | C22 | H16 | 179.4° | 180.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.1° |
| C20 | C19 | C18 | H14 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C20 | C19 | C18 | H20 | 179.4° | 179.7° |
| C21 | C22 | C17 | H16 | 180.0° | 179.9° |
| C21 | C22 | C17 | C18 | 0.4° | 0.0° |
| C21 | C22 | C17 | C16 | 179.5° | 179.9° |
| C22 | C21 | C20 | H15 | 179.2° | 180.0° |
| N32 | C30 | C44 | C29 | 124.1° | 120.5° |
| N32 | C30 | C44 | H17 | 120.2° | 118.4° |
| N32 | C30 | C44 | O45 | 176.9° | 117.1° |
| N32 | C30 | C29 | H17 | 118.4° | 119.2° |
| N32 | C30 | C29 | O28 | 97.8° | 159.5° |
| N32 | C30 | C29 | H22 | 22.9° | 78.7° |
| N32 | C30 | C29 | H23 | 141.5° | 38.1° |
| C19 | C18 | C17 | C22 | 0.5° | 0.0° |
| C19 | C18 | C17 | H20 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 179.5° | 179.9° |
| C18 | C19 | C20 | H15 | 179.2° | 180.0° |
| C44 | C30 | C29 | H17 | 115.7° | 120.6° |
| C44 | C30 | C29 | O28 | 28.1° | 39.3° |
| C44 | C30 | C29 | H22 | 148.8° | 161.1° |
| C44 | C30 | C29 | H23 | 92.7° | 82.1° |
| C44 | C30 | N32 | H24 | 110.0° | 96.6° |
| C30 | C44 | N46 | H34 | 3.7° | 6.9° |
| O45 | C44 | C30 | C29 | 59.0° | 3.4° |
| O45 | C44 | C30 | H17 | 56.7° | 124.4° |
| O45 | C44 | N46 | H34 | 179.6° | 172.6° |
| S9 | C10 | C11 | H9 | 120.5° | 121.5° |
| S9 | C10 | C11 | H10 | 120.6° | 119.2° |
| S9 | C10 | C11 | C16 | 88.0° | 104.0° |
| S9 | C10 | C11 | C12 | 91.0° | 75.3° |
| C10 | S9 | C8 | H7 | 139.0° | 15.6° |
| C10 | S9 | C8 | H8 | 20.9° | 103.6° |
| S9 | C10 | H9 | H10 | 118.3° | 118.6° |
| C22 | C17 | C18 | C16 | 180.0° | 179.9° |
| C22 | C17 | C16 | C11 | 96.6° | 130.0° |
| C22 | C17 | C16 | C15 | 83.6° | 49.4° |
| C22 | C17 | C18 | H20 | 179.5° | 179.7° |
| C30 | C29 | O28 | H22 | 120.7° | 121.6° |
| C30 | C29 | O28 | H23 | 120.7° | 121.1° |
| C30 | C29 | O28 | C26 | 162.2° | 35.9° |
| C30 | C29 | H22 | H23 | 117.7° | 117.6° |
| C29 | C30 | N32 | H24 | 12.6° | 25.0° |
| C10 | C11 | C16 | C17 | 0.3° | 0.3° |
| C10 | C11 | C16 | C12 | 179.0° | 179.3° |
| C10 | C11 | C16 | C15 | 179.9° | 179.6° |
| C10 | C11 | C12 | C26 | 0.1° | 1.8° |
| C10 | C11 | C12 | C13 | 179.8° | 178.9° |
| C11 | C10 | H9 | H10 | 118.3° | 120.2° |
| C18 | C17 | C16 | C11 | 83.3° | 50.1° |
| C18 | C17 | C16 | C15 | 96.5° | 130.5° |
| C17 | C18 | C19 | H14 | 179.4° | 179.7° |
| C18 | C17 | C22 | H16 | 179.6° | 179.9° |
| C17 | C16 | C11 | C15 | 179.8° | 179.4° |
| C17 | C16 | C11 | C12 | 178.7° | 179.0° |
| C17 | C16 | C15 | C14 | 179.4° | 178.7° |
| C17 | C16 | C15 | H13 | 0.6° | 1.3° |
| C16 | C17 | C22 | H16 | 0.5° | 0.0° |
| C16 | C17 | C18 | H20 | 0.5° | 0.4° |
| C29 | O28 | C26 | C12 | 159.3° | 178.6° |
| C29 | O28 | C26 | O27 | 22.9° | 0.9° |
| O28 | C29 | C30 | H17 | 143.8° | 81.4° |
| O28 | C29 | H22 | H23 | 117.8° | 118.5° |
| C16 | C11 | C12 | C26 | 178.8° | 178.9° |
| C16 | C11 | C12 | C13 | 0.8° | 0.3° |
| C11 | C16 | C15 | C14 | 0.4° | 0.7° |
| C16 | C11 | C10 | H9 | 32.5° | 17.5° |
| C16 | C11 | C10 | H10 | 151.4° | 136.8° |
| C11 | C16 | C15 | H13 | 179.6° | 179.3° |
| C11 | C12 | C26 | O28 | 18.0° | 144.4° |
| C12 | C11 | C16 | C15 | 1.1° | 0.3° |
| C11 | C12 | C26 | C13 | 179.7° | 179.2° |
| C11 | C12 | C26 | O27 | 164.1° | 38.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.7° |
| C12 | C11 | C10 | H9 | 148.5° | 163.2° |
| C12 | C11 | C10 | H10 | 29.6° | 43.9° |
| C11 | C12 | C13 | H11 | 179.9° | 179.1° |
| O28 | C26 | C12 | O27 | 177.9° | 177.7° |
| O28 | C26 | C12 | C13 | 161.7° | 36.4° |
| C26 | O28 | C29 | H22 | 41.4° | 85.7° |
| C26 | O28 | C29 | H23 | 77.1° | 157.0° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.3° |
| C16 | C15 | C14 | H12 | 179.5° | 179.6° |
| C26 | C12 | C13 | C14 | 179.7° | 178.6° |
| C26 | C12 | C13 | H11 | 0.2° | 1.7° |
| C13 | C12 | C26 | O27 | 16.2° | 141.3° |
| C12 | C13 | C14 | C15 | 0.7° | 0.4° |
| C12 | C13 | C14 | H11 | 180.0° | 179.8° |
| C12 | C13 | C14 | H12 | 179.3° | 179.7° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | H11 | 179.2° | 179.4° |
| C13 | C14 | C15 | H13 | 179.5° | 179.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 119.9° | 120.0° |
| H7 | C8 | C6 | H19 | 51.6° | 76.6° |
| H8 | C8 | C6 | H19 | 169.8° | 42.7° |
| H11 | C13 | C14 | H12 | 0.8° | 0.5° |
| H12 | C14 | C15 | H13 | 0.5° | 0.4° |
| H14 | C19 | C20 | H15 | 0.8° | 0.3° |
| H14 | C19 | C18 | H20 | 0.6° | 0.0° |
| H17 | C30 | C29 | H22 | 95.5° | 40.5° |
| H17 | C30 | C29 | H23 | 23.1° | 157.2° |
| H17 | C30 | N32 | H24 | 130.4° | 144.8° |
| H18 | C35 | C37 | H25 | 23.7° | 160.0° |
| H18 | C35 | C37 | H26 | 98.2° | 36.2° |
| H19 | C6 | N46 | H34 | 158.3° | 10.9° |
| H25 | C37 | C38 | H27 | 34.0° | 35.8° |
| H25 | C37 | C38 | H28 | 155.9° | 158.9° |
| H26 | C37 | C38 | H27 | 87.8° | 88.1° |
| H26 | C37 | C38 | H28 | 34.1° | 35.1° |
| H27 | C38 | C39 | H29 | 35.9° | 21.2° |
| H27 | C38 | C39 | H30 | 86.2° | 100.0° |
| H28 | C38 | C39 | H29 | 157.7° | 144.4° |
| H28 | C38 | C39 | H30 | 35.6° | 23.2° |
| H31 | C43 | H32 | H33 | 120.0° | 119.9° |
