91M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C41 | sing | 1.51Å | 1.51Å | |
| C1 | N2 | sing | 1.47Å | 1.43Å | |
| C39 | N40 | sing | 1.47Å | 1.47Å | |
| C39 | C38 | sing | 1.54Å | 1.52Å | |
| C41 | O42 | doub | 1.21Å | 1.23Å | |
| C41 | N40 | sing | 1.35Å | 1.39Å | |
| 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 | 1.39Å | |
| N2 | C3 | sing | 1.47Å | 1.44Å | |
| C4 | C6 | sing | 1.50Å | 1.51Å | |
| C35 | C37 | sing | 1.55Å | 1.53Å | |
| C35 | C33 | sing | 1.51Å | 1.50Å | |
| O34 | C33 | doub | 1.21Å | 1.22Å | |
| C33 | N32 | sing | 1.35Å | 1.38Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | N46 | sing | 1.48Å | 1.44Å | |
| C8 | S9 | sing | 1.81Å | 1.84Å | |
| N46 | C44 | sing | 1.37Å | 1.39Å | |
| C20 | C19 | doub | 1.35Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| N32 | C30 | sing | 1.47Å | 1.45Å | |
| N22 | C21 | doub | 1.31Å | 1.34Å | Aromatic |
| N22 | O23 | sing | 1.21Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C25 | sing | 1.48Å | 1.46Å | Aromatic |
| C44 | C30 | sing | 1.51Å | 1.53Å | |
| C44 | O45 | doub | 1.21Å | 1.22Å | |
| O23 | N24 | sing | 1.22Å | 1.39Å | Aromatic |
| S9 | C10 | sing | 1.82Å | 1.83Å | |
| C30 | C29 | sing | 1.52Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | N24 | doub | 1.31Å | 1.34Å | Aromatic |
| C25 | C17 | sing | 1.46Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.46Å | |
| C29 | O28 | sing | 1.44Å | 1.44Å | |
| C11 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| O28 | C26 | sing | 1.34Å | 1.35Å | |
| C12 | C26 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | O27 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | 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 | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.11Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.10Å | 1.10Å | |
| C29 | H21 | sing | 1.10Å | 1.10Å | |
| N32 | H22 | sing | 0.97Å | 1.00Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| N46 | H32 | sing | 0.99Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C41 | O42 | 121.0° | 120.0° |
| C43 | C41 | N40 | 114.9° | 120.0° |
| C41 | C43 | H29 | 109.5° | 109.5° |
| C41 | C43 | H30 | 109.5° | 109.5° |
| C41 | C43 | H31 | 109.5° | 109.5° |
| C1 | N2 | C4 | 118.3° | 120.0° |
| C1 | N2 | C3 | 114.7° | 119.9° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N40 | C39 | C38 | 105.2° | 107.3° |
| C39 | N40 | C41 | 122.2° | 125.7° |
| C39 | N40 | C35 | 110.2° | 108.7° |
| N40 | C39 | H27 | 110.5° | 109.8° |
| N40 | C39 | H28 | 110.5° | 109.9° |
| C39 | C38 | C37 | 103.9° | 102.9° |
| C39 | C38 | H25 | 110.9° | 110.7° |
| C39 | C38 | H26 | 110.9° | 110.9° |
| C38 | C39 | H27 | 110.5° | 109.9° |
| C38 | C39 | H28 | 110.5° | 109.9° |
| O42 | C41 | N40 | 124.1° | 120.0° |
| C41 | N40 | C35 | 118.3° | 125.6° |
| O5 | C4 | N2 | 121.4° | 120.0° |
| O5 | C4 | C6 | 121.5° | 120.0° |
| N40 | C35 | C37 | 106.0° | 104.9° |
| N40 | C35 | C33 | 104.7° | 110.4° |
| N40 | C35 | H17 | 113.1° | 110.5° |
| C38 | C37 | C35 | 104.4° | 101.6° |
| C38 | C37 | H23 | 110.7° | 111.0° |
| C38 | C37 | H24 | 110.7° | 111.0° |
| C37 | C38 | H25 | 110.9° | 110.7° |
| C37 | C38 | H26 | 110.9° | 110.7° |
| C4 | N2 | C3 | 127.0° | 120.1° |
| N2 | C4 | C6 | 117.1° | 120.0° |
| N2 | C3 | H4 | 109.5° | 109.4° |
| N2 | C3 | H5 | 109.5° | 109.4° |
| N2 | C3 | H6 | 109.4° | 109.5° |
| C4 | C6 | C8 | 111.8° | 111.3° |
| C4 | C6 | N46 | 101.7° | 112.9° |
| C4 | C6 | H18 | 110.8° | 107.5° |
| C37 | C35 | C33 | 108.0° | 110.3° |
| C37 | C35 | H17 | 112.0° | 110.3° |
| C35 | C37 | H23 | 110.7° | 111.0° |
| C35 | C37 | H24 | 110.7° | 111.0° |
| C35 | C33 | O34 | 122.6° | 120.0° |
| C35 | C33 | N32 | 111.7° | 120.0° |
| C33 | C35 | H17 | 112.5° | 110.3° |
| O34 | C33 | N32 | 125.7° | 120.0° |
| C33 | N32 | C30 | 119.2° | 120.0° |
| C33 | N32 | H22 | 120.4° | 120.0° |
| C8 | C6 | N46 | 109.9° | 109.8° |
| C6 | C8 | S9 | 112.5° | 110.5° |
| C6 | C8 | H7 | 108.7° | 109.4° |
| C6 | C8 | H8 | 108.7° | 109.5° |
| C8 | C6 | H18 | 110.5° | 107.2° |
| C6 | N46 | C44 | 125.3° | 118.9° |
| N46 | C6 | H18 | 111.9° | 107.9° |
| C6 | N46 | H32 | 117.3° | 120.8° |
| C8 | S9 | C10 | 104.6° | 102.9° |
| S9 | C8 | H7 | 108.7° | 109.3° |
| S9 | C8 | H8 | 108.7° | 109.3° |
| N46 | C44 | C30 | 116.6° | 116.4° |
| N46 | C44 | O45 | 122.4° | 124.1° |
| C44 | N46 | H32 | 117.4° | 120.3° |
| C19 | C20 | C21 | 114.9° | 120.3° |
| C20 | C19 | C18 | 122.6° | 122.8° |
| C20 | C19 | H14 | 118.7° | 118.6° |
| C19 | C20 | H15 | 122.6° | 119.8° |
| C20 | C21 | N22 | 129.7° | 138.7° |
| C20 | C21 | C25 | 122.4° | 118.7° |
| C21 | C20 | H15 | 122.5° | 119.8° |
| N32 | C30 | C44 | 113.4° | 108.7° |
| N32 | C30 | C29 | 111.0° | 109.2° |
| N32 | C30 | H16 | 107.7° | 108.7° |
| C30 | N32 | H22 | 120.4° | 120.0° |
| C21 | N22 | O23 | 106.1° | 109.1° |
| N22 | C21 | C25 | 107.9° | 102.6° |
| N22 | O23 | N24 | 112.0° | 116.3° |
| C19 | C18 | C17 | 123.7° | 121.5° |
| C18 | C19 | H14 | 118.7° | 118.6° |
| C19 | C18 | H19 | 118.2° | 119.2° |
| C21 | C25 | N24 | 108.5° | 102.9° |
| C21 | C25 | C17 | 121.8° | 118.2° |
| C30 | C44 | O45 | 121.0° | 119.6° |
| C44 | C30 | C29 | 110.9° | 111.4° |
| C44 | C30 | H16 | 106.7° | 108.8° |
| O23 | N24 | C25 | 105.6° | 109.0° |
| S9 | C10 | C11 | 116.6° | 109.1° |
| S9 | C10 | H9 | 107.7° | 109.5° |
| S9 | C10 | H10 | 107.6° | 109.0° |
| C30 | C29 | O28 | 115.1° | 112.9° |
| C29 | C30 | H16 | 106.8° | 109.9° |
| C30 | C29 | H20 | 108.1° | 109.0° |
| C30 | C29 | H21 | 108.1° | 108.9° |
| C10 | C11 | C16 | 118.3° | 121.3° |
| C10 | C11 | C12 | 125.7° | 119.3° |
| C11 | C10 | H9 | 107.6° | 112.0° |
| C11 | C10 | H10 | 107.6° | 109.5° |
| C18 | C17 | C25 | 114.5° | 118.5° |
| C18 | C17 | C16 | 124.6° | 120.7° |
| C17 | C18 | H19 | 118.2° | 119.2° |
| N24 | C25 | C17 | 129.7° | 138.8° |
| C25 | C17 | C16 | 120.8° | 120.8° |
| C17 | C16 | C11 | 124.2° | 121.4° |
| C17 | C16 | C15 | 112.9° | 118.6° |
| C29 | O28 | C26 | 112.9° | 122.0° |
| O28 | C29 | H20 | 108.0° | 109.3° |
| O28 | C29 | H21 | 108.1° | 109.3° |
| C16 | C11 | C12 | 116.0° | 119.3° |
| C11 | C16 | C15 | 122.9° | 120.0° |
| C11 | C12 | C26 | 129.2° | 121.6° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C16 | C15 | C14 | 120.0° | 120.4° |
| C16 | C15 | H13 | 120.0° | 119.6° |
| O28 | C26 | C12 | 116.8° | 119.7° |
| O28 | C26 | O27 | 122.4° | 120.9° |
| C26 | C12 | C13 | 110.8° | 118.3° |
| C12 | C26 | O27 | 120.7° | 119.4° |
| C12 | C13 | C14 | 122.7° | 120.2° |
| C12 | C13 | H11 | 118.6° | 119.7° |
| C15 | C14 | C13 | 118.3° | 120.0° |
| C15 | C14 | H12 | 120.8° | 120.1° |
| C14 | C15 | H13 | 120.0° | 120.1° |
| C14 | C13 | H11 | 118.7° | 120.1° |
| C13 | C14 | H12 | 120.8° | 119.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H4 | C3 | H5 | 109.4° | 109.4° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 108.9° |
| H9 | C10 | H10 | 109.5° | 107.7° |
| H20 | C29 | H21 | 109.5° | 107.3° |
| H23 | C37 | H24 | 109.5° | 111.0° |
| H25 | C38 | H26 | 109.4° | 110.7° |
| H27 | C39 | H28 | 109.4° | 110.0° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H29 | C43 | H31 | 109.5° | 109.5° |
| H30 | C43 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C41 | N40 | C39 | 40.4° | 0.1° |
| C43 | C41 | O42 | N40 | 179.7° | 180.0° |
| C43 | C41 | N40 | C35 | 176.4° | 180.0° |
| C41 | C43 | H29 | H30 | 120.0° | 120.0° |
| C41 | C43 | H29 | H31 | 120.0° | 120.0° |
| C41 | C43 | H30 | H31 | 120.0° | 120.0° |
| C1 | N2 | C4 | O5 | 6.1° | 0.0° |
| C1 | N2 | C4 | C3 | 179.0° | 180.0° |
| C1 | N2 | C4 | C6 | 173.9° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.1° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H4 | 180.0° | 90.0° |
| C1 | N2 | C3 | H5 | 60.0° | 150.0° |
| C1 | N2 | C3 | H6 | 60.0° | 30.0° |
| N40 | C39 | C38 | H27 | 119.3° | 119.4° |
| N40 | C39 | C38 | H28 | 119.3° | 119.5° |
| C39 | N40 | C41 | O42 | 139.8° | 179.9° |
| C39 | N40 | C41 | C35 | 143.2° | 179.9° |
| N40 | C39 | C38 | C37 | 29.7° | 22.2° |
| C39 | N40 | C35 | C37 | 3.2° | 24.2° |
| C39 | N40 | C35 | C33 | 110.9° | 143.0° |
| C39 | N40 | C35 | H17 | 126.3° | 94.7° |
| N40 | C39 | C38 | H25 | 148.8° | 140.5° |
| N40 | C39 | C38 | H26 | 89.4° | 96.3° |
| N40 | C39 | H27 | H28 | 121.9° | 121.1° |
| C38 | C39 | N40 | C41 | 162.6° | 179.0° |
| C38 | C39 | N40 | C35 | 16.8° | 1.1° |
| C39 | C38 | C37 | H25 | 119.1° | 118.3° |
| C39 | C38 | C37 | H26 | 119.1° | 118.5° |
| C39 | C38 | C37 | C35 | 31.5° | 35.5° |
| C39 | C38 | C37 | H23 | 87.7° | 82.6° |
| C39 | C38 | C37 | H24 | 150.7° | 153.6° |
| C39 | C38 | H25 | H26 | 122.6° | 123.3° |
| C38 | C39 | H27 | H28 | 122.0° | 121.1° |
| O42 | C41 | N40 | C35 | 3.4° | 0.1° |
| O42 | C41 | C43 | H29 | 0.0° | 90.0° |
| O42 | C41 | C43 | H30 | 120.0° | 150.0° |
| O42 | C41 | C43 | H31 | 120.0° | 30.0° |
| C41 | N40 | C35 | C37 | 144.2° | 155.9° |
| C41 | N40 | C35 | C33 | 101.8° | 37.1° |
| C41 | N40 | C35 | H17 | 21.0° | 85.2° |
| C41 | N40 | C39 | H27 | 43.3° | 59.6° |
| C41 | N40 | C39 | H28 | 78.0° | 61.5° |
| N40 | C41 | C43 | H29 | 179.8° | 90.0° |
| N40 | C41 | C43 | H30 | 59.7° | 30.1° |
| N40 | C41 | C43 | H31 | 60.2° | 150.0° |
| O5 | C4 | N2 | C6 | 180.0° | 180.0° |
| O5 | C4 | N2 | C3 | 174.8° | 180.0° |
| O5 | C4 | C6 | C8 | 15.5° | 100.0° |
| O5 | C4 | C6 | N46 | 101.6° | 24.0° |
| O5 | C4 | C6 | H18 | 139.3° | 142.8° |
| N40 | C35 | C37 | C38 | 21.7° | 37.0° |
| N40 | C35 | C37 | C33 | 111.7° | 118.9° |
| N40 | C35 | C37 | H17 | 123.8° | 119.0° |
| N40 | C35 | C33 | H17 | 123.2° | 122.4° |
| N40 | C35 | C33 | O34 | 36.2° | 15.4° |
| N40 | C35 | C33 | N32 | 143.1° | 164.6° |
| N40 | C35 | C37 | H23 | 97.5° | 81.0° |
| N40 | C35 | C37 | H24 | 140.9° | 155.1° |
| C35 | N40 | C39 | H27 | 102.6° | 120.5° |
| C35 | N40 | C39 | H28 | 136.1° | 118.4° |
| C38 | C37 | C35 | H23 | 119.2° | 118.0° |
| C38 | C37 | C35 | H24 | 119.2° | 118.1° |
| C38 | C37 | C35 | C33 | 90.0° | 155.9° |
| C38 | C37 | C35 | H17 | 145.5° | 81.9° |
| C38 | C37 | H23 | H24 | 122.3° | 123.9° |
| C37 | C38 | H25 | H26 | 122.6° | 123.2° |
| C37 | C38 | C39 | H27 | 89.6° | 97.2° |
| C37 | C38 | C39 | H28 | 149.1° | 141.6° |
| N2 | C4 | C6 | C8 | 164.5° | 80.0° |
| N2 | C4 | C6 | N46 | 78.4° | 156.0° |
| C4 | N2 | C1 | H1 | 180.0° | 90.0° |
| C4 | N2 | C1 | H2 | 60.0° | 150.0° |
| C4 | N2 | C1 | H3 | 60.0° | 30.0° |
| C4 | N2 | C3 | H4 | 0.9° | 90.0° |
| C4 | N2 | C3 | H5 | 120.9° | 30.0° |
| C4 | N2 | C3 | H6 | 119.1° | 150.0° |
| N2 | C4 | C6 | H18 | 40.7° | 37.2° |
| C3 | N2 | C4 | C6 | 5.1° | 0.0° |
| C3 | N2 | C1 | H1 | 0.8° | 90.0° |
| C3 | N2 | C1 | H2 | 120.9° | 30.0° |
| C3 | N2 | C1 | H3 | 119.2° | 150.0° |
| N2 | C3 | H4 | H5 | 120.0° | 119.9° |
| N2 | C3 | H4 | H6 | 120.0° | 120.0° |
| N2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C4 | C6 | C8 | N46 | 112.1° | 125.8° |
| C4 | C6 | C8 | H18 | 123.9° | 117.3° |
| C4 | C6 | N46 | H18 | 118.3° | 118.6° |
| C4 | C6 | C8 | S9 | 167.8° | 44.8° |
| C4 | C6 | N46 | C44 | 132.3° | 50.7° |
| C4 | C6 | C8 | H7 | 71.8° | 165.2° |
| C4 | C6 | C8 | H8 | 47.3° | 75.6° |
| C4 | C6 | N46 | H32 | 47.6° | 129.8° |
| C37 | C35 | C33 | H17 | 124.2° | 122.2° |
| C37 | C35 | C33 | O34 | 76.4° | 100.0° |
| C37 | C35 | C33 | N32 | 104.3° | 79.9° |
| C35 | C37 | H23 | H24 | 122.3° | 123.9° |
| C35 | C37 | C38 | H25 | 150.6° | 153.8° |
| C35 | C37 | C38 | H26 | 87.6° | 83.0° |
| C35 | C33 | O34 | N32 | 179.2° | 179.9° |
| C35 | C33 | N32 | C30 | 178.6° | 180.0° |
| C35 | C33 | N32 | H22 | 1.4° | 0.1° |
| C33 | C35 | C37 | H23 | 150.8° | 37.9° |
| C33 | C35 | C37 | H24 | 29.2° | 86.0° |
| O34 | C33 | N32 | C30 | 0.6° | 0.0° |
| O34 | C33 | C35 | H17 | 159.4° | 137.8° |
| O34 | C33 | N32 | H22 | 179.4° | 180.0° |
| C33 | N32 | C30 | H22 | 180.0° | 179.9° |
| C33 | N32 | C30 | C44 | 69.8° | 83.3° |
| C33 | N32 | C30 | C29 | 164.5° | 155.0° |
| C33 | N32 | C30 | H16 | 48.0° | 35.1° |
| N32 | C33 | C35 | H17 | 19.9° | 42.3° |
| C8 | C6 | N46 | H18 | 123.2° | 116.5° |
| C6 | C8 | S9 | H7 | 120.5° | 120.5° |
| C6 | C8 | S9 | H8 | 120.4° | 120.5° |
| C8 | C6 | N46 | C44 | 109.1° | 74.1° |
| C6 | C8 | S9 | C10 | 97.8° | 136.6° |
| C6 | C8 | H7 | H8 | 118.6° | 119.6° |
| C8 | C6 | N46 | H32 | 70.9° | 105.4° |
| N46 | C6 | C8 | S9 | 55.6° | 81.0° |
| C6 | N46 | C44 | H32 | 180.0° | 179.5° |
| C6 | N46 | C44 | C30 | 179.5° | 172.5° |
| C6 | N46 | C44 | O45 | 0.1° | 8.1° |
| N46 | C6 | C8 | H7 | 176.1° | 39.4° |
| N46 | C6 | C8 | H8 | 64.8° | 158.6° |
| C8 | S9 | C10 | C11 | 174.7° | 159.7° |
| S9 | C8 | H7 | H8 | 118.6° | 119.3° |
| C8 | S9 | C10 | H9 | 53.7° | 77.4° |
| C8 | S9 | C10 | H10 | 64.3° | 40.1° |
| S9 | C8 | C6 | H18 | 68.4° | 162.1° |
| N46 | C44 | C30 | N32 | 8.2° | 63.0° |
| N46 | C44 | C30 | O45 | 179.6° | 179.5° |
| N46 | C44 | C30 | C29 | 117.5° | 176.6° |
| N46 | C44 | C30 | H16 | 126.5° | 55.3° |
| C44 | N46 | C6 | H18 | 14.1° | 169.3° |
| C19 | C20 | C21 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | N22 | 179.8° | 179.9° |
| C20 | C19 | C18 | H14 | 180.0° | 179.7° |
| C19 | C20 | C21 | C25 | 0.6° | 0.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.4° |
| C20 | C19 | C18 | H19 | 179.6° | 179.8° |
| C20 | C21 | N22 | C25 | 179.7° | 179.9° |
| C20 | C21 | N22 | O23 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.8° | 0.0° |
| C20 | C21 | C25 | N24 | 179.8° | 179.9° |
| C20 | C21 | C25 | C17 | 0.7° | 0.3° |
| C21 | C20 | C19 | H14 | 179.3° | 179.7° |
| N32 | C30 | C44 | C29 | 125.7° | 120.4° |
| N32 | C30 | C44 | H16 | 118.4° | 118.3° |
| N32 | C30 | C44 | O45 | 171.5° | 116.5° |
| N32 | C30 | C29 | H16 | 117.1° | 119.2° |
| N32 | C30 | C29 | O28 | 103.6° | 158.8° |
| N32 | C30 | C29 | H20 | 17.2° | 79.5° |
| N32 | C30 | C29 | H21 | 135.6° | 37.2° |
| C21 | N22 | O23 | N24 | 0.5° | 0.0° |
| N22 | C21 | C25 | N24 | 0.1° | 0.0° |
| N22 | C21 | C25 | C17 | 179.0° | 179.7° |
| N22 | C21 | C20 | H15 | 0.2° | 0.1° |
| O23 | N22 | C21 | C25 | 0.3° | 0.0° |
| N22 | O23 | N24 | C25 | 0.4° | 0.0° |
| C19 | C18 | C17 | H19 | 180.0° | 179.9° |
| C19 | C18 | C17 | C25 | 1.6° | 0.6° |
| C19 | C18 | C17 | C16 | 179.9° | 180.0° |
| C18 | C19 | C20 | H15 | 179.2° | 180.0° |
| C21 | C25 | N24 | O23 | 0.2° | 0.0° |
| C21 | C25 | C17 | C18 | 1.7° | 0.6° |
| C21 | C25 | N24 | C17 | 179.0° | 179.6° |
| C21 | C25 | C17 | C16 | 179.7° | 179.9° |
| C25 | C21 | C20 | H15 | 179.4° | 180.0° |
| C44 | C30 | C29 | H16 | 115.9° | 120.6° |
| C44 | C30 | C29 | O28 | 23.5° | 38.7° |
| C44 | C30 | C29 | H20 | 144.3° | 160.4° |
| C44 | C30 | C29 | H21 | 97.4° | 82.9° |
| C44 | C30 | N32 | H22 | 110.2° | 96.7° |
| C30 | C44 | N46 | H32 | 0.5° | 7.0° |
| O45 | C44 | C30 | C29 | 62.8° | 3.9° |
| O45 | C44 | C30 | H16 | 53.1° | 125.2° |
| O45 | C44 | N46 | H32 | 179.9° | 172.4° |
| O23 | N24 | C25 | C17 | 179.2° | 179.6° |
| S9 | C10 | C11 | H9 | 121.0° | 121.4° |
| S9 | C10 | C11 | H10 | 121.0° | 119.2° |
| S9 | C10 | C11 | C16 | 84.6° | 104.6° |
| S9 | C10 | C11 | C12 | 94.5° | 75.0° |
| C10 | S9 | C8 | H7 | 141.7° | 16.1° |
| C10 | S9 | C8 | H8 | 22.6° | 102.9° |
| S9 | C10 | H9 | H10 | 116.8° | 118.4° |
| C30 | C29 | O28 | H20 | 120.8° | 121.5° |
| C30 | C29 | O28 | H21 | 120.8° | 121.4° |
| C30 | C29 | O28 | C26 | 150.5° | 35.9° |
| C30 | C29 | H20 | H21 | 117.5° | 117.8° |
| C29 | C30 | N32 | H22 | 15.5° | 25.1° |
| C10 | C11 | C16 | C17 | 1.0° | 0.1° |
| C10 | C11 | C16 | C12 | 179.1° | 179.5° |
| C10 | C11 | C16 | C15 | 179.8° | 179.6° |
| C10 | C11 | C12 | C26 | 1.6° | 1.6° |
| C10 | C11 | C12 | C13 | 179.6° | 179.3° |
| C11 | C10 | H9 | H10 | 116.7° | 120.5° |
| C18 | C17 | C25 | N24 | 179.3° | 179.9° |
| C18 | C17 | C25 | C16 | 178.6° | 179.4° |
| C18 | C17 | C16 | C11 | 64.0° | 115.0° |
| C18 | C17 | C16 | C15 | 114.9° | 65.3° |
| C17 | C18 | C19 | H14 | 179.6° | 180.0° |
| N24 | C25 | C17 | C16 | 0.8° | 0.5° |
| C25 | C17 | C16 | C11 | 117.6° | 64.4° |
| C25 | C17 | C16 | C15 | 63.5° | 115.4° |
| C25 | C17 | C18 | H19 | 178.4° | 179.5° |
| C17 | C16 | C11 | C15 | 178.8° | 179.8° |
| C17 | C16 | C11 | C12 | 178.1° | 179.6° |
| C17 | C16 | C15 | C14 | 179.0° | 179.5° |
| C17 | C16 | C15 | H13 | 1.0° | 0.5° |
| C16 | C17 | C18 | H19 | 0.1° | 0.1° |
| C29 | O28 | C26 | C12 | 149.7° | 177.8° |
| C29 | O28 | C26 | O27 | 33.9° | 0.0° |
| O28 | C29 | C30 | H16 | 139.4° | 81.9° |
| O28 | C29 | H20 | H21 | 117.4° | 118.4° |
| C16 | C11 | C12 | C26 | 177.5° | 178.8° |
| C16 | C11 | C12 | C13 | 0.5° | 0.2° |
| C11 | C16 | C15 | C14 | 0.1° | 0.2° |
| C16 | C11 | C10 | H9 | 36.5° | 16.8° |
| C16 | C11 | C10 | H10 | 154.4° | 136.2° |
| C11 | C16 | C15 | H13 | 179.9° | 179.7° |
| C12 | C11 | C16 | C15 | 0.6° | 0.1° |
| C11 | C12 | C26 | O28 | 23.1° | 145.3° |
| C11 | C12 | C26 | C13 | 178.2° | 179.1° |
| C11 | C12 | C26 | O27 | 160.4° | 36.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.4° |
| C12 | C11 | C10 | H9 | 144.5° | 163.6° |
| C12 | C11 | C10 | H10 | 26.5° | 44.3° |
| C11 | C12 | C13 | H11 | 179.7° | 180.0° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 1.0° | 0.0° |
| C16 | C15 | C14 | H12 | 179.0° | 179.9° |
| O28 | C26 | C12 | O27 | 176.5° | 177.8° |
| O28 | C26 | C12 | C13 | 155.1° | 35.6° |
| C26 | O28 | C29 | H20 | 29.7° | 85.6° |
| C26 | O28 | C29 | H21 | 88.6° | 157.3° |
| C26 | C12 | C13 | C14 | 178.7° | 178.6° |
| C26 | C12 | C13 | H11 | 1.3° | 0.9° |
| C13 | C12 | C26 | O27 | 21.4° | 142.2° |
| C12 | C13 | C14 | C15 | 1.1° | 0.3° |
| C12 | C13 | C14 | H11 | 180.0° | 179.5° |
| C12 | C13 | C14 | H12 | 178.9° | 179.6° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | H11 | 178.9° | 179.9° |
| C13 | C14 | C15 | H13 | 179.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.1° |
| H7 | C8 | C6 | H18 | 52.1° | 77.5° |
| H8 | C8 | C6 | H18 | 171.2° | 41.7° |
| H11 | C13 | C14 | H12 | 1.1° | 0.1° |
| H12 | C14 | C15 | H13 | 1.0° | 0.0° |
| H14 | C19 | C20 | H15 | 0.8° | 0.3° |
| H14 | C19 | C18 | H19 | 0.4° | 0.1° |
| H16 | C30 | C29 | H20 | 99.8° | 39.8° |
| H16 | C30 | C29 | H21 | 18.5° | 156.5° |
| H16 | C30 | N32 | H22 | 132.0° | 145.0° |
| H17 | C35 | C37 | H23 | 26.3° | 160.1° |
| H17 | C35 | C37 | H24 | 95.3° | 36.1° |
| H18 | C6 | N46 | H32 | 165.9° | 11.1° |
| H23 | C37 | C38 | H25 | 31.4° | 35.7° |
| H23 | C37 | C38 | H26 | 153.2° | 158.9° |
| H24 | C37 | C38 | H25 | 90.2° | 88.1° |
| H24 | C37 | C38 | H26 | 31.6° | 35.1° |
| H25 | C38 | C39 | H27 | 29.5° | 21.1° |
| H25 | C38 | C39 | H28 | 91.8° | 100.0° |
| H26 | C38 | C39 | H27 | 151.2° | 144.4° |
| H26 | C38 | C39 | H28 | 29.9° | 23.2° |
| H29 | C43 | H30 | H31 | 120.0° | 120.0° |
