9T9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C24 | sing | 1.44Å | 1.43Å | |
| O25 | C20 | sing | 1.37Å | 1.38Å | |
| C24 | O23 | sing | 1.44Å | 1.43Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | O23 | sing | 1.36Å | 1.37Å | |
| C19 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C11 | sing | 1.51Å | 1.50Å | |
| N31 | C32 | sing | 1.47Å | 1.45Å | |
| N31 | C2 | sing | 1.39Å | 1.39Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | N34 | sing | 1.47Å | 1.47Å | |
| O7 | C4 | sing | 1.36Å | 1.38Å | |
| O7 | C8 | sing | 1.35Å | 1.36Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C8 | doub | 1.34Å | 1.35Å | Aromatic |
| C11 | N12 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | N37 | sing | 1.47Å | 1.48Å | |
| C36 | N37 | sing | 1.47Å | 1.46Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.48Å | 1.42Å | Aromatic |
| C38 | N37 | sing | 1.47Å | 1.46Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| N34 | C39 | sing | 1.47Å | 1.49Å | |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | C13 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.48Å | 1.47Å | |
| C9 | C13 | doub | 1.37Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.50Å | |
| C6 | F30 | sing | 1.35Å | 1.35Å | |
| C13 | C15 | sing | 1.47Å | 1.45Å | |
| C10 | O14 | doub | 1.22Å | 1.24Å | |
| C15 | N29 | doub | 1.31Å | 1.31Å | Aromatic |
| C15 | S26 | sing | 1.76Å | 1.73Å | Aromatic |
| N29 | C28 | sing | 1.31Å | 1.37Å | Aromatic |
| S26 | C27 | sing | 1.76Å | 1.71Å | Aromatic |
| C28 | C27 | doub | 1.34Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N12 | H3 | sing | 0.97Å | 1.00Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| N31 | H12 | sing | 0.97Å | 1.00Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | O25 | C20 | 105.3° | 105.6° |
| O25 | C24 | O23 | 108.5° | 103.8° |
| O25 | C24 | H9 | 109.7° | 110.5° |
| O25 | C24 | H30 | 109.7° | 110.8° |
| O25 | C20 | C21 | 128.6° | 131.5° |
| O25 | C20 | C19 | 110.2° | 108.6° |
| C24 | O23 | C19 | 105.1° | 105.5° |
| O23 | C24 | H9 | 109.7° | 110.5° |
| O23 | C24 | H30 | 109.7° | 110.5° |
| C21 | C20 | C19 | 121.3° | 119.9° |
| C20 | C21 | C22 | 117.8° | 120.0° |
| C20 | C21 | H7 | 121.1° | 120.0° |
| C20 | C19 | O23 | 110.0° | 108.7° |
| C20 | C19 | C18 | 121.3° | 119.8° |
| C21 | C22 | C17 | 121.5° | 120.1° |
| C22 | C21 | H7 | 121.1° | 120.0° |
| C21 | C22 | H8 | 119.3° | 119.9° |
| O23 | C19 | C18 | 128.4° | 131.6° |
| C19 | C18 | C17 | 118.9° | 120.0° |
| C19 | C18 | H6 | 120.6° | 120.0° |
| C22 | C17 | C18 | 119.2° | 120.2° |
| C22 | C17 | C16 | 120.5° | 119.9° |
| C17 | C22 | H8 | 119.2° | 119.9° |
| C18 | C17 | C16 | 120.3° | 119.9° |
| C17 | C18 | H6 | 120.6° | 120.0° |
| C17 | C16 | C11 | 117.4° | 109.5° |
| C17 | C16 | H4 | 107.4° | 109.5° |
| C17 | C16 | H5 | 107.5° | 109.5° |
| C16 | C11 | C8 | 124.1° | 125.2° |
| C16 | C11 | N12 | 127.7° | 125.3° |
| C11 | C16 | H4 | 107.5° | 109.4° |
| C11 | C16 | H5 | 107.4° | 109.5° |
| C32 | N31 | C2 | 124.7° | 120.0° |
| N31 | C32 | C33 | 112.4° | 109.5° |
| C32 | N31 | H12 | 105.5° | 120.0° |
| N31 | C32 | H13 | 108.7° | 109.4° |
| N31 | C32 | H14 | 108.8° | 109.5° |
| N31 | C2 | C3 | 118.8° | 119.8° |
| N31 | C2 | C1 | 121.6° | 119.7° |
| C2 | N31 | H12 | 105.5° | 120.0° |
| C32 | C33 | N34 | 114.4° | 109.5° |
| C33 | C32 | H13 | 108.7° | 109.5° |
| C33 | C32 | H14 | 108.7° | 109.5° |
| C32 | C33 | H15 | 108.2° | 109.5° |
| C32 | C33 | H16 | 108.2° | 109.4° |
| C2 | C3 | C4 | 119.8° | 120.5° |
| C3 | C2 | C1 | 119.5° | 120.5° |
| C2 | C3 | H2 | 120.1° | 119.7° |
| C3 | C4 | O7 | 116.3° | 117.6° |
| C3 | C4 | C5 | 122.1° | 118.7° |
| C4 | C3 | H2 | 120.1° | 119.8° |
| C33 | N34 | C35 | 112.8° | 111.0° |
| C33 | N34 | C39 | 116.2° | 111.0° |
| N34 | C33 | H15 | 108.2° | 109.5° |
| N34 | C33 | H16 | 108.2° | 109.5° |
| C4 | O7 | C8 | 119.8° | 119.3° |
| O7 | C4 | C5 | 121.6° | 123.6° |
| O7 | C8 | C11 | 128.5° | 132.4° |
| O7 | C8 | C9 | 122.5° | 121.4° |
| C2 | C1 | C6 | 118.8° | 119.8° |
| C2 | C1 | H1 | 120.6° | 120.1° |
| C8 | C11 | N12 | 108.2° | 109.4° |
| C11 | C8 | C9 | 109.0° | 106.2° |
| C11 | N12 | C13 | 109.9° | 110.2° |
| C11 | N12 | H3 | 125.1° | 124.9° |
| C4 | C5 | C6 | 116.1° | 120.5° |
| C4 | C5 | C10 | 120.5° | 120.4° |
| C40 | N37 | C36 | 111.1° | 111.0° |
| C40 | N37 | C38 | 111.1° | 111.0° |
| N37 | C40 | H27 | 109.5° | 109.5° |
| N37 | C40 | H28 | 109.5° | 109.4° |
| N37 | C40 | H29 | 109.5° | 109.5° |
| N37 | C36 | C35 | 110.8° | 109.4° |
| C36 | N37 | C38 | 109.0° | 110.9° |
| N37 | C36 | H20 | 109.1° | 109.5° |
| N37 | C36 | H21 | 109.2° | 109.5° |
| C36 | C35 | N34 | 111.8° | 109.3° |
| C36 | C35 | H18 | 108.9° | 109.5° |
| C36 | C35 | H19 | 108.9° | 109.5° |
| C35 | C36 | H20 | 109.1° | 109.5° |
| C35 | C36 | H21 | 109.1° | 109.5° |
| C8 | C9 | C13 | 105.3° | 106.8° |
| C8 | C9 | C10 | 117.5° | 119.6° |
| N37 | C38 | C39 | 110.7° | 109.4° |
| N37 | C38 | H23 | 109.2° | 109.5° |
| N37 | C38 | H24 | 109.2° | 109.5° |
| C38 | C39 | N34 | 111.6° | 109.4° |
| C39 | C38 | H23 | 109.2° | 109.5° |
| C39 | C38 | H24 | 109.2° | 109.5° |
| C38 | C39 | H25 | 108.9° | 109.5° |
| C38 | C39 | H26 | 108.9° | 109.5° |
| C35 | N34 | C39 | 110.9° | 110.9° |
| N34 | C35 | H18 | 108.9° | 109.5° |
| N34 | C35 | H19 | 108.9° | 109.5° |
| N34 | C39 | H25 | 108.9° | 109.5° |
| N34 | C39 | H26 | 109.0° | 109.5° |
| C1 | C6 | C5 | 123.7° | 120.0° |
| C1 | C6 | F30 | 118.5° | 120.0° |
| C6 | C1 | H1 | 120.6° | 120.1° |
| N12 | C13 | C9 | 107.6° | 107.3° |
| N12 | C13 | C15 | 116.7° | 126.3° |
| C13 | N12 | H3 | 125.0° | 124.9° |
| C6 | C5 | C10 | 123.4° | 119.1° |
| C5 | C6 | F30 | 117.8° | 120.0° |
| C5 | C10 | C9 | 115.5° | 113.8° |
| C5 | C10 | O14 | 121.1° | 123.1° |
| C13 | C9 | C10 | 133.8° | 133.6° |
| C9 | C13 | C15 | 135.6° | 126.4° |
| C9 | C10 | O14 | 123.4° | 123.1° |
| C13 | C15 | N29 | 124.4° | 125.5° |
| C13 | C15 | S26 | 121.2° | 125.5° |
| N29 | C15 | S26 | 114.4° | 109.0° |
| C15 | N29 | C28 | 110.1° | 117.0° |
| C15 | S26 | C27 | 89.2° | 89.8° |
| N29 | C28 | C27 | 116.1° | 115.9° |
| N29 | C28 | H11 | 121.9° | 122.0° |
| S26 | C27 | C28 | 110.2° | 108.2° |
| S26 | C27 | H10 | 124.9° | 125.9° |
| C28 | C27 | H10 | 124.9° | 125.9° |
| C27 | C28 | H11 | 121.9° | 122.1° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H9 | C24 | H30 | 109.5° | 110.5° |
| H13 | C32 | H14 | 109.4° | 109.5° |
| H15 | C33 | H16 | 109.5° | 109.5° |
| H18 | C35 | H19 | 109.5° | 109.5° |
| H20 | C36 | H21 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.5° |
| H25 | C39 | H26 | 109.5° | 109.5° |
| H27 | C40 | H28 | 109.4° | 109.5° |
| H27 | C40 | H29 | 109.5° | 109.5° |
| H28 | C40 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C24 | O23 | H9 | 119.9° | 118.5° |
| O25 | C24 | O23 | H30 | 119.9° | 118.9° |
| C24 | O25 | C20 | C21 | 179.7° | 162.8° |
| C24 | O25 | C20 | C19 | 1.0° | 17.1° |
| O25 | C24 | O23 | C19 | 9.3° | 27.0° |
| O25 | C24 | H9 | H30 | 120.4° | 123.0° |
| C20 | O25 | C24 | O23 | 6.5° | 26.9° |
| O25 | C20 | C21 | C19 | 179.2° | 179.8° |
| O25 | C20 | C21 | C22 | 179.7° | 180.0° |
| O25 | C20 | C19 | O23 | 5.0° | 0.2° |
| O25 | C20 | C19 | C18 | 179.7° | 179.8° |
| O25 | C20 | C21 | H7 | 0.3° | 0.1° |
| C20 | O25 | C24 | H9 | 126.3° | 91.6° |
| C20 | O25 | C24 | H30 | 113.4° | 145.5° |
| C24 | O23 | C19 | C20 | 8.8° | 17.3° |
| C24 | O23 | C19 | C18 | 177.1° | 162.7° |
| O23 | C24 | H9 | H30 | 120.4° | 122.7° |
| C20 | C21 | C22 | H7 | 180.0° | 179.9° |
| C21 | C20 | C19 | O23 | 174.3° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.0° |
| C20 | C21 | C22 | C17 | 0.5° | 0.5° |
| C20 | C21 | C22 | H8 | 179.5° | 180.0° |
| C19 | C20 | C21 | C22 | 0.6° | 0.2° |
| C20 | C19 | O23 | C18 | 174.2° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H6 | 179.9° | 180.0° |
| C19 | C20 | C21 | H7 | 179.4° | 179.9° |
| C21 | C22 | C17 | H8 | 180.0° | 179.5° |
| C21 | C22 | C17 | C18 | 0.3° | 0.5° |
| C21 | C22 | C17 | C16 | 178.9° | 179.8° |
| O23 | C19 | C18 | C17 | 173.5° | 179.9° |
| O23 | C19 | C18 | H6 | 6.5° | 0.0° |
| C19 | O23 | C24 | H9 | 129.2° | 91.5° |
| C19 | O23 | C24 | H30 | 110.5° | 145.8° |
| C19 | C18 | C17 | C22 | 0.0° | 0.3° |
| C19 | C18 | C17 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.1° | 180.0° |
| C22 | C17 | C18 | C16 | 179.2° | 179.7° |
| C22 | C17 | C16 | C11 | 78.3° | 90.3° |
| C22 | C17 | C16 | H4 | 160.5° | 149.7° |
| C22 | C17 | C16 | H5 | 42.8° | 29.7° |
| C22 | C17 | C18 | H6 | 179.9° | 179.7° |
| C17 | C22 | C21 | H7 | 179.5° | 179.7° |
| C18 | C17 | C16 | C11 | 100.8° | 90.0° |
| C18 | C17 | C16 | H4 | 20.3° | 30.0° |
| C18 | C17 | C16 | H5 | 138.1° | 150.0° |
| C18 | C17 | C22 | H8 | 179.8° | 180.0° |
| C17 | C16 | C11 | H4 | 121.1° | 120.0° |
| C17 | C16 | C11 | H5 | 121.1° | 120.0° |
| C17 | C16 | C11 | C8 | 83.4° | 85.0° |
| C17 | C16 | C11 | N12 | 95.3° | 95.0° |
| C17 | C16 | H4 | H5 | 116.4° | 120.0° |
| C16 | C17 | C18 | H6 | 0.9° | 0.0° |
| C16 | C17 | C22 | H8 | 1.1° | 0.3° |
| C16 | C11 | C8 | O7 | 1.5° | 0.3° |
| C16 | C11 | C8 | N12 | 178.9° | 180.0° |
| C16 | C11 | C8 | C9 | 178.7° | 179.8° |
| C16 | C11 | N12 | C13 | 178.9° | 179.9° |
| C16 | C11 | N12 | H3 | 1.0° | 0.1° |
| C11 | C16 | H4 | H5 | 116.4° | 120.0° |
| C32 | N31 | C2 | H12 | 122.0° | 179.9° |
| N31 | C32 | C33 | H13 | 120.4° | 119.9° |
| N31 | C32 | C33 | H14 | 120.5° | 120.1° |
| C32 | N31 | C2 | C3 | 176.4° | 180.0° |
| N31 | C32 | C33 | N34 | 123.9° | 180.0° |
| C32 | N31 | C2 | C1 | 1.0° | 0.0° |
| N31 | C32 | H13 | H14 | 118.7° | 120.0° |
| N31 | C32 | C33 | H15 | 115.4° | 60.0° |
| N31 | C32 | C33 | H16 | 3.2° | 60.0° |
| C2 | N31 | C32 | C33 | 87.8° | 180.0° |
| N31 | C2 | C3 | C1 | 177.5° | 180.0° |
| N31 | C2 | C3 | C4 | 176.1° | 180.0° |
| N31 | C2 | C1 | C6 | 177.5° | 179.9° |
| N31 | C2 | C1 | H1 | 2.4° | 0.4° |
| N31 | C2 | C3 | H2 | 3.9° | 0.0° |
| C2 | N31 | C32 | H13 | 32.7° | 60.0° |
| C2 | N31 | C32 | H14 | 151.8° | 59.9° |
| C32 | C33 | N34 | H15 | 120.7° | 120.0° |
| C32 | C33 | N34 | H16 | 120.7° | 120.0° |
| C32 | C33 | N34 | C35 | 177.4° | 170.0° |
| C32 | C33 | N34 | C39 | 52.9° | 66.2° |
| C33 | C32 | N31 | H12 | 34.3° | 0.1° |
| C33 | C32 | H13 | H14 | 118.7° | 120.0° |
| C32 | C33 | H15 | H16 | 117.8° | 120.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | O7 | 179.0° | 179.6° |
| C2 | C3 | C4 | C5 | 1.2° | 0.3° |
| C3 | C2 | C1 | C6 | 0.2° | 0.1° |
| C3 | C2 | C1 | H1 | 179.8° | 179.7° |
| C3 | C2 | N31 | H12 | 54.4° | 0.1° |
| C3 | C4 | O7 | C5 | 179.9° | 179.8° |
| C3 | C4 | O7 | C8 | 170.2° | 168.2° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.4° |
| C3 | C4 | C5 | C10 | 179.2° | 179.4° |
| C33 | N34 | C35 | C36 | 81.0° | 176.8° |
| C33 | N34 | C39 | C38 | 78.4° | 176.8° |
| C33 | N34 | C35 | C39 | 132.3° | 123.9° |
| N34 | C33 | C32 | H13 | 3.4° | 60.0° |
| N34 | C33 | C32 | H14 | 115.7° | 60.0° |
| N34 | C33 | H15 | H16 | 117.7° | 120.0° |
| C33 | N34 | C35 | H18 | 158.7° | 63.2° |
| C33 | N34 | C35 | H19 | 39.4° | 56.8° |
| C33 | N34 | C39 | H25 | 41.9° | 56.8° |
| C33 | N34 | C39 | H26 | 161.3° | 63.2° |
| C4 | O7 | C8 | C11 | 161.0° | 168.5° |
| C4 | O7 | C8 | C9 | 19.1° | 11.6° |
| O7 | C4 | C5 | C6 | 179.4° | 179.4° |
| O7 | C4 | C5 | C10 | 1.0° | 0.8° |
| O7 | C4 | C3 | H2 | 1.0° | 0.4° |
| O7 | C8 | C11 | C9 | 179.8° | 179.9° |
| O7 | C8 | C11 | N12 | 179.6° | 179.7° |
| C8 | O7 | C4 | C5 | 9.9° | 12.0° |
| O7 | C8 | C9 | C13 | 179.4° | 179.7° |
| O7 | C8 | C9 | C10 | 18.5° | 0.5° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 1.9° | 0.0° |
| C2 | C1 | C6 | F30 | 174.7° | 179.7° |
| C1 | C2 | C3 | H2 | 178.7° | 180.0° |
| C1 | C2 | N31 | H12 | 123.0° | 179.9° |
| C8 | C11 | N12 | C13 | 0.1° | 0.1° |
| C11 | C8 | C9 | C13 | 0.4° | 0.2° |
| C11 | C8 | C9 | C10 | 161.6° | 179.6° |
| C8 | C11 | N12 | H3 | 179.9° | 179.9° |
| C8 | C11 | C16 | H4 | 155.5° | 155.1° |
| C8 | C11 | C16 | H5 | 37.7° | 35.0° |
| N12 | C11 | C8 | C9 | 0.2° | 0.2° |
| C11 | N12 | C13 | H3 | 180.0° | 180.0° |
| C11 | N12 | C13 | C9 | 0.4° | 0.0° |
| C11 | N12 | C13 | C15 | 177.8° | 180.0° |
| N12 | C11 | C16 | H4 | 25.9° | 25.0° |
| N12 | C11 | C16 | H5 | 143.6° | 145.0° |
| C4 | C5 | C6 | C1 | 2.1° | 0.2° |
| C4 | C5 | C6 | C10 | 179.6° | 179.8° |
| C4 | C5 | C10 | C9 | 0.7° | 9.7° |
| C4 | C5 | C6 | F30 | 174.5° | 179.5° |
| C4 | C5 | C10 | O14 | 179.2° | 170.3° |
| C5 | C4 | C3 | H2 | 178.8° | 179.8° |
| C40 | N37 | C36 | C38 | 122.8° | 123.9° |
| C40 | N37 | C36 | C35 | 177.0° | 64.5° |
| C40 | N37 | C38 | C39 | 176.2° | 64.5° |
| C40 | N37 | C36 | H20 | 56.8° | 55.4° |
| C40 | N37 | C36 | H21 | 62.8° | 175.5° |
| C40 | N37 | C38 | H23 | 63.7° | 55.5° |
| C40 | N37 | C38 | H24 | 56.0° | 175.5° |
| N37 | C40 | H27 | H28 | 120.0° | 119.9° |
| N37 | C40 | H27 | H29 | 120.0° | 120.0° |
| N37 | C40 | H28 | H29 | 120.0° | 120.0° |
| N37 | C36 | C35 | H20 | 120.2° | 120.0° |
| N37 | C36 | C35 | H21 | 120.2° | 120.0° |
| C36 | N37 | C38 | C39 | 61.1° | 59.3° |
| N37 | C36 | C35 | N34 | 56.0° | 58.4° |
| N37 | C36 | C35 | H18 | 64.3° | 61.6° |
| N37 | C36 | C35 | H19 | 176.4° | 178.3° |
| N37 | C36 | H20 | H21 | 119.4° | 120.1° |
| C36 | N37 | C38 | H23 | 59.0° | 179.3° |
| C36 | N37 | C38 | H24 | 178.7° | 60.7° |
| C36 | N37 | C40 | H27 | 180.0° | 60.0° |
| C36 | N37 | C40 | H28 | 60.0° | 180.0° |
| C36 | N37 | C40 | H29 | 60.0° | 60.0° |
| C35 | C36 | N37 | C38 | 60.2° | 59.3° |
| C36 | C35 | N34 | H18 | 120.3° | 120.0° |
| C36 | C35 | N34 | H19 | 120.4° | 120.0° |
| C36 | C35 | N34 | C39 | 51.2° | 59.3° |
| C36 | C35 | H18 | H19 | 118.9° | 120.1° |
| C35 | C36 | H20 | H21 | 119.4° | 120.0° |
| C8 | C9 | C13 | N12 | 0.5° | 0.2° |
| C8 | C9 | C10 | C5 | 8.9° | 9.7° |
| C8 | C9 | C13 | C10 | 157.7° | 179.8° |
| C8 | C9 | C13 | C15 | 177.2° | 179.8° |
| C8 | C9 | C10 | O14 | 171.1° | 170.3° |
| N37 | C38 | C39 | H23 | 120.2° | 120.0° |
| N37 | C38 | C39 | H24 | 120.2° | 120.0° |
| N37 | C38 | C39 | N34 | 57.6° | 58.4° |
| C38 | N37 | C36 | H20 | 179.6° | 179.3° |
| C38 | N37 | C36 | H21 | 60.0° | 60.6° |
| N37 | C38 | H23 | H24 | 119.4° | 120.0° |
| N37 | C38 | C39 | H25 | 177.9° | 178.4° |
| N37 | C38 | C39 | H26 | 62.7° | 61.6° |
| C38 | N37 | C40 | H27 | 58.5° | 176.2° |
| C38 | N37 | C40 | H28 | 61.5° | 56.2° |
| C38 | N37 | C40 | H29 | 178.5° | 63.8° |
| C38 | C39 | N34 | C35 | 52.1° | 59.3° |
| C38 | C39 | N34 | H25 | 120.3° | 120.0° |
| C38 | C39 | N34 | H26 | 120.3° | 119.9° |
| C39 | C38 | H23 | H24 | 119.5° | 120.0° |
| C38 | C39 | H25 | H26 | 119.0° | 120.0° |
| C35 | N34 | C33 | H15 | 61.8° | 70.0° |
| C35 | N34 | C33 | H16 | 56.7° | 50.0° |
| N34 | C35 | H18 | H19 | 118.9° | 120.0° |
| N34 | C35 | C36 | H20 | 176.2° | 178.4° |
| N34 | C35 | C36 | H21 | 64.2° | 61.6° |
| C35 | N34 | C39 | H25 | 172.4° | 179.4° |
| C35 | N34 | C39 | H26 | 68.2° | 60.6° |
| C39 | N34 | C33 | H15 | 67.8° | 53.8° |
| C39 | N34 | C33 | H16 | 173.7° | 173.8° |
| C39 | N34 | C35 | H18 | 69.1° | 60.6° |
| C39 | N34 | C35 | H19 | 171.6° | 179.3° |
| N34 | C39 | C38 | H23 | 62.5° | 178.4° |
| N34 | C39 | C38 | H24 | 177.8° | 61.6° |
| N34 | C39 | H25 | H26 | 119.1° | 120.0° |
| C1 | C6 | C5 | F30 | 176.6° | 179.7° |
| C1 | C6 | C5 | C10 | 177.6° | 179.5° |
| N12 | C13 | C9 | C15 | 177.7° | 180.0° |
| N12 | C13 | C9 | C10 | 157.3° | 179.6° |
| N12 | C13 | C15 | N29 | 6.9° | 0.0° |
| N12 | C13 | C15 | S26 | 176.1° | 179.7° |
| C6 | C5 | C10 | C9 | 179.6° | 170.0° |
| C6 | C5 | C10 | O14 | 0.4° | 10.0° |
| C5 | C6 | C1 | H1 | 178.0° | 179.8° |
| C5 | C10 | C9 | C13 | 164.5° | 170.0° |
| C5 | C10 | C9 | O14 | 180.0° | 180.0° |
| C10 | C5 | C6 | F30 | 5.8° | 0.7° |
| C13 | C9 | C10 | O14 | 15.4° | 10.0° |
| C9 | C13 | C15 | N29 | 170.7° | 180.0° |
| C9 | C13 | C15 | S26 | 6.4° | 0.3° |
| C9 | C13 | N12 | H3 | 179.6° | 179.9° |
| C10 | C9 | C13 | C15 | 25.0° | 0.4° |
| F30 | C6 | C1 | H1 | 5.4° | 0.0° |
| C13 | C15 | N29 | S26 | 177.2° | 179.8° |
| C13 | C15 | N29 | C28 | 176.4° | 179.8° |
| C13 | C15 | S26 | C27 | 176.6° | 180.0° |
| C15 | C13 | N12 | H3 | 2.2° | 0.1° |
| N29 | C15 | S26 | C27 | 0.6° | 0.2° |
| C15 | N29 | C28 | C27 | 0.6° | 0.4° |
| C15 | N29 | C28 | H11 | 179.4° | 179.8° |
| S26 | C15 | N29 | C28 | 0.8° | 0.4° |
| C15 | S26 | C27 | C28 | 0.3° | 0.0° |
| C15 | S26 | C27 | H10 | 179.7° | 180.0° |
| N29 | C28 | C27 | S26 | 0.1° | 0.2° |
| N29 | C28 | C27 | H11 | 180.0° | 179.8° |
| N29 | C28 | C27 | H10 | 179.9° | 179.8° |
| S26 | C27 | C28 | H10 | 180.0° | 179.9° |
| S26 | C27 | C28 | H11 | 179.9° | 180.0° |
| H7 | C21 | C22 | H8 | 0.5° | 0.2° |
| H10 | C27 | C28 | H11 | 0.1° | 0.1° |
| H12 | N31 | C32 | H13 | 154.7° | 120.1° |
| H12 | N31 | C32 | H14 | 86.2° | 120.0° |
| H13 | C32 | C33 | H15 | 124.2° | 179.9° |
| H13 | C32 | C33 | H16 | 117.3° | 60.0° |
| H14 | C32 | C33 | H15 | 5.1° | 60.1° |
| H14 | C32 | C33 | H16 | 123.6° | 179.9° |
| H18 | C35 | C36 | H20 | 55.9° | 58.4° |
| H18 | C35 | C36 | H21 | 175.5° | 178.5° |
| H19 | C35 | C36 | H20 | 63.4° | 61.7° |
| H19 | C35 | C36 | H21 | 56.2° | 58.3° |
| H23 | C38 | C39 | H25 | 57.8° | 61.6° |
| H23 | C38 | C39 | H26 | 177.1° | 58.5° |
| H24 | C38 | C39 | H25 | 61.9° | 58.4° |
| H24 | C38 | C39 | H26 | 57.5° | 178.5° |
| H27 | C40 | H28 | H29 | 120.0° | 120.0° |
