1BI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C42 | doub | 1.38Å | 1.44Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.43Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.44Å | Aromatic |
| C44 | C39 | doub | 1.38Å | 1.44Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.43Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.44Å | Aromatic |
| C39 | S36 | sing | 1.76Å | 1.82Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | O30 | sing | 1.43Å | 1.58Å | |
| C32 | N27 | sing | 1.47Å | 1.51Å | |
| O38 | S36 | doub | 1.42Å | 1.37Å | |
| O30 | C29 | sing | 1.43Å | 1.58Å | |
| S36 | O37 | doub | 1.42Å | 1.36Å | |
| S36 | N23 | sing | 1.66Å | 1.54Å | |
| N23 | C21 | sing | 1.35Å | 1.50Å | |
| O26 | C25 | doub | 1.21Å | 1.26Å | |
| N27 | C25 | sing | 1.35Å | 1.47Å | |
| N27 | C28 | sing | 1.47Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.51Å | 1.58Å | |
| O22 | C21 | doub | 1.22Å | 1.26Å | |
| C21 | C1 | sing | 1.47Å | 1.53Å | |
| C1 | C2 | doub | 1.39Å | 1.47Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.45Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.47Å | Aromatic |
| C24 | N7 | sing | 1.46Å | 1.52Å | |
| C6 | C5 | doub | 1.36Å | 1.45Å | Aromatic |
| C3 | N7 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.45Å | Aromatic |
| N7 | C8 | sing | 1.37Å | 1.45Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.48Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.47Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.45Å | Aromatic |
| C8 | C16 | sing | 1.48Å | 1.48Å | |
| C9 | C10 | sing | 1.51Å | 1.58Å | |
| C15 | C10 | sing | 1.53Å | 1.59Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C16 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | O19 | sing | 1.34Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C20 | O19 | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| N23 | H18 | sing | 0.97Å | 1.00Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | 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 | |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å | |
| C42 | H31 | sing | 1.08Å | 1.08Å | |
| C43 | H32 | sing | 1.08Å | 1.08Å | |
| C44 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C43 | C44 | 119.7° | 119.9° |
| C43 | C42 | C41 | 120.4° | 120.0° |
| C43 | C42 | H31 | 119.8° | 119.9° |
| C42 | C43 | H32 | 120.1° | 120.0° |
| C43 | C44 | C39 | 119.8° | 120.0° |
| C44 | C43 | H32 | 120.2° | 120.0° |
| C43 | C44 | H33 | 120.1° | 120.0° |
| C42 | C41 | C40 | 119.4° | 120.0° |
| C42 | C41 | H30 | 120.3° | 120.0° |
| C41 | C42 | H31 | 119.8° | 120.0° |
| C44 | C39 | C40 | 120.2° | 120.0° |
| C44 | C39 | S36 | 120.4° | 120.0° |
| C39 | C44 | H33 | 120.1° | 120.0° |
| C41 | C40 | C39 | 120.5° | 120.0° |
| C41 | C40 | H29 | 119.8° | 120.0° |
| C40 | C41 | H30 | 120.3° | 120.0° |
| C40 | C39 | S36 | 119.4° | 120.0° |
| C39 | C40 | H29 | 119.8° | 120.0° |
| C39 | S36 | O38 | 109.9° | 106.4° |
| C39 | S36 | O37 | 109.9° | 106.4° |
| C39 | S36 | N23 | 107.5° | 107.2° |
| C32 | C31 | O30 | 112.8° | 109.3° |
| C31 | C32 | N27 | 111.8° | 108.6° |
| C32 | C31 | H25 | 108.6° | 109.5° |
| C32 | C31 | H26 | 108.6° | 109.6° |
| C31 | C32 | H27 | 108.9° | 109.7° |
| C31 | C32 | H28 | 108.9° | 109.6° |
| C31 | O30 | C29 | 114.9° | 114.1° |
| O30 | C31 | H25 | 108.6° | 109.6° |
| O30 | C31 | H26 | 108.7° | 109.2° |
| C32 | N27 | C25 | 119.9° | 121.0° |
| C32 | N27 | C28 | 118.8° | 118.0° |
| N27 | C32 | H27 | 108.9° | 109.8° |
| N27 | C32 | H28 | 108.9° | 109.4° |
| O38 | S36 | O37 | 110.3° | 123.1° |
| O38 | S36 | N23 | 107.8° | 106.4° |
| O30 | C29 | C28 | 112.5° | 109.2° |
| O30 | C29 | H23 | 108.7° | 109.5° |
| O30 | C29 | H24 | 108.7° | 109.6° |
| O37 | S36 | N23 | 111.3° | 106.4° |
| S36 | N23 | C21 | 118.3° | 120.0° |
| S36 | N23 | H18 | 120.8° | 120.0° |
| N23 | C21 | O22 | 126.7° | 120.0° |
| N23 | C21 | C1 | 106.5° | 120.0° |
| C21 | N23 | H18 | 120.8° | 120.0° |
| O26 | C25 | N27 | 119.8° | 120.0° |
| O26 | C25 | C24 | 119.8° | 120.0° |
| C25 | N27 | C28 | 121.4° | 121.0° |
| N27 | C25 | C24 | 120.4° | 120.0° |
| N27 | C28 | C29 | 111.0° | 108.4° |
| N27 | C28 | H21 | 109.1° | 109.7° |
| N27 | C28 | H22 | 109.1° | 109.7° |
| C29 | C28 | H21 | 109.1° | 109.7° |
| C29 | C28 | H22 | 109.1° | 109.7° |
| C28 | C29 | H23 | 108.7° | 109.5° |
| C28 | C29 | H24 | 108.7° | 109.5° |
| C25 | C24 | N7 | 115.7° | 109.5° |
| C25 | C24 | H19 | 107.9° | 109.4° |
| C25 | C24 | H20 | 107.9° | 109.5° |
| O22 | C21 | C1 | 126.8° | 120.0° |
| C21 | C1 | C2 | 120.5° | 119.8° |
| C21 | C1 | C6 | 119.8° | 119.9° |
| C2 | C1 | C6 | 119.7° | 120.3° |
| C1 | C2 | C3 | 120.7° | 119.6° |
| C1 | C2 | H1 | 119.6° | 120.2° |
| C1 | C6 | C5 | 120.0° | 120.4° |
| C1 | C6 | H3 | 120.0° | 119.8° |
| C2 | C3 | N7 | 132.2° | 133.1° |
| C2 | C3 | C4 | 119.1° | 119.7° |
| C3 | C2 | H1 | 119.6° | 120.2° |
| C24 | N7 | C3 | 126.3° | 125.6° |
| C24 | N7 | C8 | 125.5° | 125.6° |
| N7 | C24 | H19 | 107.9° | 109.5° |
| N7 | C24 | H20 | 107.9° | 109.5° |
| C6 | C5 | C4 | 120.4° | 120.0° |
| C6 | C5 | H2 | 119.8° | 120.0° |
| C5 | C6 | H3 | 120.0° | 119.8° |
| N7 | C3 | C4 | 108.7° | 107.2° |
| C3 | N7 | C8 | 108.3° | 108.8° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | C9 | 107.5° | 106.8° |
| N7 | C8 | C9 | 108.3° | 109.3° |
| N7 | C8 | C16 | 125.1° | 125.4° |
| C5 | C4 | C9 | 132.4° | 133.3° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C4 | C9 | C8 | 107.2° | 107.8° |
| C4 | C9 | C10 | 125.8° | 126.1° |
| C16 | C17 | C18 | 106.2° | 106.0° |
| C17 | C16 | C8 | 127.4° | 127.1° |
| C17 | C16 | C20 | 106.4° | 105.7° |
| C16 | C17 | H15 | 126.9° | 127.0° |
| C17 | C18 | O19 | 110.3° | 109.1° |
| C18 | C17 | H15 | 126.9° | 127.0° |
| C17 | C18 | H16 | 124.8° | 125.5° |
| C9 | C8 | C16 | 126.5° | 125.3° |
| C8 | C9 | C10 | 127.0° | 126.1° |
| C8 | C16 | C20 | 126.1° | 127.1° |
| C9 | C10 | C15 | 111.8° | 109.5° |
| C9 | C10 | C11 | 110.9° | 109.5° |
| C9 | C10 | H4 | 107.8° | 109.5° |
| C10 | C15 | C14 | 112.5° | 109.5° |
| C15 | C10 | C11 | 110.6° | 109.4° |
| C15 | C10 | H4 | 107.7° | 109.4° |
| C10 | C15 | H13 | 108.7° | 109.4° |
| C10 | C15 | H14 | 108.7° | 109.4° |
| C15 | C14 | C13 | 113.3° | 109.5° |
| C15 | C14 | H11 | 108.5° | 109.5° |
| C15 | C14 | H12 | 108.5° | 109.4° |
| C14 | C15 | H13 | 108.7° | 109.5° |
| C14 | C15 | H14 | 108.7° | 109.5° |
| C16 | C20 | O19 | 110.2° | 108.4° |
| C16 | C20 | H17 | 124.9° | 125.8° |
| C18 | O19 | C20 | 106.8° | 110.8° |
| O19 | C18 | H16 | 124.8° | 125.4° |
| C10 | C11 | C12 | 112.9° | 109.5° |
| C11 | C10 | H4 | 107.8° | 109.5° |
| C10 | C11 | H5 | 108.6° | 109.5° |
| C10 | C11 | H6 | 108.6° | 109.5° |
| C14 | C13 | C12 | 113.8° | 109.4° |
| C14 | C13 | H9 | 108.4° | 109.5° |
| C14 | C13 | H10 | 108.4° | 109.5° |
| C13 | C14 | H11 | 108.5° | 109.5° |
| C13 | C14 | H12 | 108.5° | 109.5° |
| O19 | C20 | H17 | 124.9° | 125.8° |
| C11 | C12 | C13 | 112.2° | 109.5° |
| C12 | C11 | H5 | 108.6° | 109.4° |
| C12 | C11 | H6 | 108.6° | 109.5° |
| C11 | C12 | H7 | 108.8° | 109.5° |
| C11 | C12 | H8 | 108.8° | 109.5° |
| C13 | C12 | H7 | 108.8° | 109.5° |
| C13 | C12 | H8 | 108.8° | 109.4° |
| C12 | C13 | H9 | 108.4° | 109.5° |
| C12 | C13 | H10 | 108.4° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.7° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.6° |
| H27 | C32 | H28 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C43 | C44 | H32 | 180.0° | 179.6° |
| C43 | C42 | C41 | H31 | 180.0° | 179.9° |
| C42 | C43 | C44 | C39 | 0.2° | 0.6° |
| C43 | C42 | C41 | C40 | 0.0° | 0.1° |
| C43 | C42 | C41 | H30 | 180.0° | 179.9° |
| C42 | C43 | C44 | H33 | 179.8° | 180.0° |
| C44 | C43 | C42 | C41 | 0.1° | 0.4° |
| C43 | C44 | C39 | H33 | 180.0° | 179.4° |
| C43 | C44 | C39 | C40 | 0.1° | 0.6° |
| C43 | C44 | C39 | S36 | 179.9° | 179.6° |
| C44 | C43 | C42 | H31 | 179.9° | 179.7° |
| C42 | C41 | C40 | H30 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.0° | 0.0° |
| C42 | C41 | C40 | H29 | 180.0° | 180.0° |
| C41 | C42 | C43 | H32 | 179.9° | 180.0° |
| C44 | C39 | C40 | C41 | 0.0° | 0.3° |
| C44 | C39 | C40 | S36 | 179.8° | 179.8° |
| C44 | C39 | S36 | O38 | 8.5° | 23.3° |
| C44 | C39 | S36 | O37 | 130.1° | 156.2° |
| C44 | C39 | S36 | N23 | 108.6° | 90.2° |
| C44 | C39 | C40 | H29 | 180.0° | 179.7° |
| C39 | C44 | C43 | H32 | 179.8° | 179.7° |
| C41 | C40 | C39 | H29 | 180.0° | 180.0° |
| C41 | C40 | C39 | S36 | 179.8° | 180.0° |
| C40 | C41 | C42 | H31 | 180.0° | 180.0° |
| C40 | C39 | S36 | O38 | 171.7° | 156.5° |
| C40 | C39 | S36 | O37 | 50.1° | 23.6° |
| C40 | C39 | S36 | N23 | 71.2° | 90.0° |
| C39 | C40 | C41 | H30 | 180.0° | 180.0° |
| C40 | C39 | C44 | H33 | 179.9° | 180.0° |
| C39 | S36 | O38 | O37 | 121.4° | 123.0° |
| C39 | S36 | O38 | N23 | 116.9° | 114.1° |
| C39 | S36 | O37 | N23 | 119.0° | 114.1° |
| C39 | S36 | N23 | C21 | 78.9° | 65.0° |
| C39 | S36 | N23 | H18 | 101.1° | 115.0° |
| S36 | C39 | C40 | H29 | 0.2° | 0.1° |
| S36 | C39 | C44 | H33 | 0.0° | 0.3° |
| C32 | C31 | O30 | H25 | 120.5° | 120.0° |
| C32 | C31 | O30 | H26 | 120.5° | 119.9° |
| C31 | C32 | N27 | H27 | 120.3° | 119.9° |
| C31 | C32 | N27 | H28 | 120.4° | 119.6° |
| C32 | C31 | O30 | C29 | 46.8° | 62.5° |
| C31 | C32 | N27 | C25 | 129.2° | 129.5° |
| C31 | C32 | N27 | C28 | 50.8° | 50.2° |
| C32 | C31 | H25 | H26 | 118.5° | 120.2° |
| C31 | C32 | H27 | H28 | 118.9° | 120.5° |
| O30 | C31 | C32 | N27 | 46.4° | 52.1° |
| C31 | O30 | C29 | C28 | 47.1° | 62.6° |
| C31 | O30 | C29 | H23 | 73.4° | 177.5° |
| C31 | O30 | C29 | H24 | 167.5° | 57.4° |
| O30 | C31 | H25 | H26 | 118.5° | 119.9° |
| O30 | C31 | C32 | H27 | 74.0° | 172.1° |
| O30 | C31 | C32 | H28 | 166.8° | 67.4° |
| C32 | N27 | C25 | O26 | 0.2° | 179.7° |
| C32 | N27 | C25 | C28 | 180.0° | 179.7° |
| C32 | N27 | C28 | C29 | 50.9° | 50.3° |
| C32 | N27 | C25 | C24 | 179.6° | 0.3° |
| C32 | N27 | C28 | H21 | 69.3° | 69.5° |
| C32 | N27 | C28 | H22 | 171.1° | 170.0° |
| N27 | C32 | C31 | H25 | 74.1° | 172.2° |
| N27 | C32 | C31 | H26 | 166.9° | 67.6° |
| N27 | C32 | H27 | H28 | 119.0° | 120.3° |
| O38 | S36 | O37 | N23 | 119.7° | 122.9° |
| O38 | S36 | N23 | C21 | 162.6° | 48.6° |
| O38 | S36 | N23 | H18 | 17.4° | 131.4° |
| O30 | C29 | C28 | N27 | 46.5° | 52.3° |
| O30 | C29 | C28 | H23 | 120.4° | 119.9° |
| O30 | C29 | C28 | H24 | 120.4° | 120.0° |
| O30 | C29 | C28 | H21 | 73.7° | 67.4° |
| O30 | C29 | C28 | H22 | 166.7° | 172.1° |
| O30 | C29 | H23 | H24 | 118.7° | 120.2° |
| C29 | O30 | C31 | H25 | 73.7° | 177.5° |
| C29 | O30 | C31 | H26 | 167.3° | 57.4° |
| O37 | S36 | N23 | C21 | 41.5° | 178.6° |
| O37 | S36 | N23 | H18 | 138.5° | 1.4° |
| S36 | N23 | C21 | H18 | 180.0° | 180.0° |
| S36 | N23 | C21 | O22 | 0.3° | 0.0° |
| S36 | N23 | C21 | C1 | 179.0° | 180.0° |
| N23 | C21 | O22 | C1 | 179.2° | 180.0° |
| N23 | C21 | C1 | C2 | 8.1° | 180.0° |
| N23 | C21 | C1 | C6 | 171.6° | 0.3° |
| O26 | C25 | N27 | C24 | 179.8° | 180.0° |
| O26 | C25 | N27 | C28 | 179.9° | 0.0° |
| O26 | C25 | C24 | N7 | 5.5° | 0.0° |
| O26 | C25 | C24 | H19 | 115.4° | 120.0° |
| O26 | C25 | C24 | H20 | 126.5° | 120.0° |
| C25 | N27 | C28 | C29 | 129.1° | 129.4° |
| N27 | C25 | C24 | N7 | 174.3° | 180.0° |
| N27 | C25 | C24 | H19 | 64.8° | 60.0° |
| N27 | C25 | C24 | H20 | 53.4° | 60.0° |
| C25 | N27 | C28 | H21 | 110.7° | 110.8° |
| C25 | N27 | C28 | H22 | 8.9° | 9.7° |
| C25 | N27 | C32 | H27 | 110.5° | 9.6° |
| C25 | N27 | C32 | H28 | 8.8° | 110.9° |
| N27 | C28 | C29 | H21 | 120.2° | 119.7° |
| N27 | C28 | C29 | H22 | 120.2° | 119.8° |
| C28 | N27 | C25 | C24 | 0.3° | 180.0° |
| N27 | C28 | H21 | H22 | 119.3° | 120.5° |
| N27 | C28 | C29 | H23 | 74.0° | 172.2° |
| N27 | C28 | C29 | H24 | 166.9° | 67.7° |
| C28 | N27 | C32 | H27 | 69.5° | 170.1° |
| C28 | N27 | C32 | H28 | 171.2° | 69.4° |
| C29 | C28 | H21 | H22 | 119.3° | 120.5° |
| C28 | C29 | H23 | H24 | 118.6° | 120.1° |
| C25 | C24 | N7 | H19 | 120.9° | 119.9° |
| C25 | C24 | N7 | H20 | 120.9° | 120.0° |
| C25 | C24 | N7 | C3 | 61.5° | 90.0° |
| C25 | C24 | N7 | C8 | 118.2° | 90.0° |
| C25 | C24 | H19 | H20 | 117.1° | 120.0° |
| O22 | C21 | C1 | C2 | 172.6° | 0.0° |
| O22 | C21 | C1 | C6 | 7.7° | 179.7° |
| O22 | C21 | N23 | H18 | 179.7° | 180.0° |
| C21 | C1 | C2 | C6 | 179.7° | 179.7° |
| C21 | C1 | C2 | C3 | 179.9° | 179.7° |
| C21 | C1 | C6 | C5 | 179.9° | 179.7° |
| C21 | C1 | C2 | H1 | 0.1° | 0.3° |
| C21 | C1 | C6 | H3 | 0.1° | 0.3° |
| C1 | C21 | N23 | H18 | 1.0° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | N7 | 179.4° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | H3 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C1 | C2 | H1 | 179.9° | 180.0° |
| C1 | C6 | C5 | H2 | 179.6° | 180.0° |
| C2 | C3 | N7 | C24 | 0.7° | 0.0° |
| C2 | C3 | N7 | C4 | 179.4° | 180.0° |
| C2 | C3 | N7 | C8 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | C9 | 179.3° | 180.0° |
| C24 | N7 | C3 | C8 | 179.7° | 180.0° |
| C24 | N7 | C3 | C4 | 179.8° | 180.0° |
| C24 | N7 | C8 | C9 | 179.9° | 180.0° |
| C24 | N7 | C8 | C16 | 1.2° | 0.0° |
| N7 | C24 | H19 | H20 | 117.2° | 120.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 179.3° | 180.0° |
| N7 | C3 | C4 | C5 | 179.5° | 179.9° |
| N7 | C3 | C4 | C9 | 0.2° | 0.0° |
| C3 | N7 | C8 | C9 | 0.4° | 0.0° |
| C3 | N7 | C8 | C16 | 179.1° | 180.0° |
| N7 | C3 | C2 | H1 | 0.6° | 0.0° |
| C3 | N7 | C24 | H19 | 177.6° | 150.1° |
| C3 | N7 | C24 | H20 | 59.4° | 30.0° |
| C4 | C3 | N7 | C8 | 0.1° | 0.0° |
| C3 | C4 | C5 | C9 | 179.1° | 179.9° |
| C3 | C4 | C9 | C8 | 0.4° | 0.0° |
| C3 | C4 | C9 | C10 | 179.9° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 179.8° | 180.0° |
| N7 | C8 | C9 | C4 | 0.5° | 0.0° |
| N7 | C8 | C16 | C17 | 56.6° | 44.7° |
| N7 | C8 | C9 | C16 | 178.7° | 180.0° |
| N7 | C8 | C9 | C10 | 179.9° | 180.0° |
| N7 | C8 | C16 | C20 | 123.4° | 135.0° |
| C8 | N7 | C24 | H19 | 2.7° | 30.0° |
| C8 | N7 | C24 | H20 | 120.9° | 150.0° |
| C5 | C4 | C9 | C8 | 179.6° | 180.0° |
| C5 | C4 | C9 | C10 | 0.8° | 0.1° |
| C4 | C5 | C6 | H3 | 179.6° | 180.0° |
| C4 | C9 | C8 | C10 | 179.6° | 179.9° |
| C4 | C9 | C8 | C16 | 179.2° | 180.0° |
| C4 | C9 | C10 | C15 | 58.0° | 60.1° |
| C4 | C9 | C10 | C11 | 65.9° | 59.9° |
| C9 | C4 | C5 | H2 | 0.7° | 0.0° |
| C4 | C9 | C10 | H4 | 176.2° | 180.0° |
| C16 | C17 | C18 | H15 | 180.0° | 179.9° |
| C17 | C16 | C8 | C9 | 124.9° | 135.3° |
| C17 | C16 | C8 | C20 | 180.0° | 179.7° |
| C16 | C17 | C18 | O19 | 0.1° | 0.1° |
| C17 | C16 | C20 | O19 | 0.0° | 0.4° |
| C16 | C17 | C18 | H16 | 180.0° | 179.9° |
| C17 | C16 | C20 | H17 | 179.9° | 179.8° |
| C18 | C17 | C16 | C8 | 179.9° | 179.9° |
| C18 | C17 | C16 | C20 | 0.1° | 0.2° |
| C17 | C18 | O19 | H16 | 180.0° | 179.8° |
| C17 | C18 | O19 | C20 | 0.0° | 0.3° |
| C8 | C9 | C10 | C15 | 121.5° | 120.0° |
| C9 | C8 | C16 | C20 | 55.1° | 45.1° |
| C8 | C9 | C10 | C11 | 114.5° | 120.0° |
| C8 | C9 | C10 | H4 | 3.4° | 0.0° |
| C16 | C8 | C9 | C10 | 1.2° | 0.1° |
| C8 | C16 | C20 | O19 | 180.0° | 179.9° |
| C8 | C16 | C17 | H15 | 0.0° | 0.0° |
| C8 | C16 | C20 | H17 | 0.1° | 0.0° |
| C9 | C10 | C15 | C11 | 124.2° | 120.0° |
| C9 | C10 | C15 | H4 | 118.2° | 120.0° |
| C9 | C10 | C15 | C14 | 176.4° | 180.0° |
| C9 | C10 | C11 | H4 | 117.9° | 120.1° |
| C9 | C10 | C11 | C12 | 178.6° | 180.0° |
| C9 | C10 | C11 | H5 | 60.8° | 60.0° |
| C9 | C10 | C11 | H6 | 58.1° | 59.9° |
| C9 | C10 | C15 | H13 | 55.9° | 60.0° |
| C9 | C10 | C15 | H14 | 63.2° | 60.0° |
| C10 | C15 | C14 | H13 | 120.5° | 119.9° |
| C10 | C15 | C14 | H14 | 120.4° | 120.0° |
| C15 | C10 | C11 | H4 | 117.5° | 119.9° |
| C10 | C15 | C14 | C13 | 50.2° | 60.0° |
| C15 | C10 | C11 | C12 | 54.0° | 60.0° |
| C15 | C10 | C11 | H5 | 174.5° | 180.0° |
| C15 | C10 | C11 | H6 | 66.5° | 60.1° |
| C10 | C15 | C14 | H11 | 170.7° | 60.0° |
| C10 | C15 | C14 | H12 | 70.4° | 180.0° |
| C10 | C15 | H13 | H14 | 118.6° | 120.0° |
| C14 | C15 | C10 | C11 | 52.2° | 60.0° |
| C15 | C14 | C13 | H11 | 120.6° | 120.0° |
| C15 | C14 | C13 | H12 | 120.6° | 120.0° |
| C15 | C14 | C13 | C12 | 49.1° | 60.0° |
| C14 | C15 | C10 | H4 | 65.4° | 60.0° |
| C15 | C14 | C13 | H9 | 71.5° | 180.0° |
| C15 | C14 | C13 | H10 | 169.8° | 60.0° |
| C15 | C14 | H11 | H12 | 118.2° | 120.0° |
| C14 | C15 | H13 | H14 | 118.6° | 120.1° |
| C16 | C20 | O19 | C18 | 0.0° | 0.5° |
| C16 | C20 | O19 | H17 | 180.0° | 179.9° |
| C20 | C16 | C17 | H15 | 180.0° | 179.7° |
| O19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C18 | O19 | C20 | H17 | 180.0° | 179.7° |
| C10 | C11 | C12 | H5 | 120.5° | 120.0° |
| C10 | C11 | C12 | H6 | 120.5° | 120.1° |
| C10 | C11 | C12 | C13 | 53.2° | 60.0° |
| C10 | C11 | H5 | H6 | 118.5° | 120.0° |
| C10 | C11 | C12 | H7 | 67.3° | 60.0° |
| C10 | C11 | C12 | H8 | 173.6° | 180.0° |
| C11 | C10 | C15 | H13 | 68.3° | 60.0° |
| C11 | C10 | C15 | H14 | 172.6° | 180.0° |
| C14 | C13 | C12 | C11 | 50.1° | 60.0° |
| C14 | C13 | C12 | H9 | 120.6° | 120.0° |
| C14 | C13 | C12 | H10 | 120.7° | 120.0° |
| C14 | C13 | C12 | H7 | 70.3° | 60.0° |
| C14 | C13 | C12 | H8 | 170.6° | 180.0° |
| C14 | C13 | H9 | H10 | 118.1° | 120.0° |
| C13 | C14 | H11 | H12 | 118.3° | 120.0° |
| C13 | C14 | C15 | H13 | 70.3° | 59.9° |
| C13 | C14 | C15 | H14 | 170.6° | 180.0° |
| C20 | O19 | C18 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | H7 | 120.4° | 120.0° |
| C11 | C12 | C13 | H8 | 120.4° | 120.0° |
| C12 | C11 | C10 | H4 | 63.5° | 59.9° |
| C12 | C11 | H5 | H6 | 118.4° | 120.0° |
| C11 | C12 | H7 | H8 | 118.7° | 120.0° |
| C11 | C12 | C13 | H9 | 70.5° | 180.0° |
| C11 | C12 | C13 | H10 | 170.8° | 60.0° |
| C13 | C12 | C11 | H5 | 173.7° | 180.0° |
| C13 | C12 | C11 | H6 | 67.4° | 60.0° |
| C13 | C12 | H7 | H8 | 118.7° | 119.9° |
| C12 | C13 | H9 | H10 | 118.0° | 120.0° |
| C12 | C13 | C14 | H11 | 169.7° | 60.0° |
| C12 | C13 | C14 | H12 | 71.5° | 180.0° |
| H2 | C5 | C6 | H3 | 0.4° | 0.0° |
| H4 | C10 | C11 | H5 | 57.0° | 60.0° |
| H4 | C10 | C11 | H6 | 176.0° | 180.0° |
| H4 | C10 | C15 | H13 | 174.2° | 180.0° |
| H4 | C10 | C15 | H14 | 55.1° | 60.0° |
| H5 | C11 | C12 | H7 | 53.3° | 60.0° |
| H5 | C11 | C12 | H8 | 65.9° | 60.0° |
| H6 | C11 | C12 | H7 | 172.2° | 179.9° |
| H6 | C11 | C12 | H8 | 53.1° | 59.9° |
| H7 | C12 | C13 | H9 | 169.0° | 59.9° |
| H7 | C12 | C13 | H10 | 50.3° | 180.0° |
| H8 | C12 | C13 | H9 | 49.9° | 60.0° |
| H8 | C12 | C13 | H10 | 68.8° | 60.0° |
| H9 | C13 | C14 | H11 | 49.1° | 60.0° |
| H9 | C13 | C14 | H12 | 167.9° | 60.0° |
| H10 | C13 | C14 | H11 | 69.7° | 180.0° |
| H10 | C13 | C14 | H12 | 49.2° | 60.0° |
| H11 | C14 | C15 | H13 | 50.3° | 179.9° |
| H11 | C14 | C15 | H14 | 68.9° | 60.0° |
| H12 | C14 | C15 | H13 | 169.1° | 60.0° |
| H12 | C14 | C15 | H14 | 50.0° | 60.0° |
| H15 | C17 | C18 | H16 | 0.0° | 0.2° |
| H21 | C28 | C29 | H23 | 165.8° | 52.5° |
| H21 | C28 | C29 | H24 | 46.7° | 172.6° |
| H22 | C28 | C29 | H23 | 46.2° | 68.0° |
| H22 | C28 | C29 | H24 | 72.9° | 52.1° |
| H25 | C31 | C32 | H27 | 165.6° | 67.8° |
| H25 | C31 | C32 | H28 | 46.3° | 52.7° |
| H26 | C31 | C32 | H27 | 46.6° | 52.4° |
| H26 | C31 | C32 | H28 | 72.7° | 172.9° |
| H29 | C40 | C41 | H30 | 0.0° | 0.0° |
| H30 | C41 | C42 | H31 | 0.0° | 0.0° |
| H31 | C42 | C43 | H32 | 0.1° | 0.1° |
| H32 | C43 | C44 | H33 | 0.2° | 0.3° |
