IX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N7 | sing | 1.40Å | 1.43Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N11 | sing | 1.39Å | 1.41Å | |
| C6 | O29 | sing | 1.36Å | 1.37Å | |
| C8 | C17 | sing | 1.51Å | 1.54Å | |
| C8 | N7 | sing | 1.44Å | 1.47Å | |
| C8 | C9 | sing | 1.52Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | C10 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | O23 | sing | 1.36Å | 1.37Å | |
| C21 | F41 | sing | 1.35Å | 1.32Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C14 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | doub | 1.31Å | 1.34Å | |
| C32 | C34 | sing | 1.47Å | 1.47Å | |
| C32 | N7 | sing | 1.35Å | 1.38Å | |
| C32 | O33 | doub | 1.22Å | 1.22Å | |
| C34 | C35 | doub | 1.36Å | 1.37Å | Aromatic |
| C34 | N38 | sing | 1.36Å | 1.33Å | Aromatic |
| C35 | C40 | sing | 1.51Å | 1.51Å | |
| C35 | O36 | sing | 1.34Å | 1.22Å | Aromatic |
| C37 | C39 | sing | 1.51Å | 1.50Å | |
| C37 | N38 | doub | 1.30Å | 1.34Å | Aromatic |
| C37 | O36 | sing | 1.34Å | 1.24Å | Aromatic |
| O23 | C22 | sing | 1.43Å | 1.42Å | |
| C22 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C28 | sing | 1.51Å | 1.52Å | |
| C9 | S12 | sing | 1.78Å | 1.71Å | |
| C9 | C10 | doub | 1.30Å | 1.35Å | |
| S12 | O30 | doub | 1.42Å | 1.43Å | |
| S12 | O31 | doub | 1.42Å | 1.44Å | |
| S12 | C13 | sing | 1.81Å | 1.80Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C14 | C25 | sing | 1.53Å | 1.53Å | |
| C10 | N11 | sing | 1.39Å | 1.38Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H27A | sing | 1.08Å | 1.08Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 120.4° |
| C1 | C2 | C3 | 120.4° | 120.3° |
| C2 | C1 | H1 | 119.9° | 119.8° |
| C1 | C2 | H2 | 119.8° | 119.8° |
| C1 | C6 | C5 | 119.7° | 119.2° |
| C1 | C6 | O29 | 121.5° | 120.4° |
| C6 | C1 | H1 | 119.8° | 119.8° |
| C2 | C3 | C4 | 120.3° | 119.3° |
| C3 | C2 | H2 | 119.8° | 119.8° |
| C2 | C3 | H3 | 119.9° | 120.3° |
| C3 | C4 | C5 | 118.3° | 120.5° |
| C3 | C4 | N7 | 120.2° | 122.4° |
| C4 | C3 | H3 | 119.8° | 120.4° |
| C5 | C4 | N7 | 121.1° | 117.0° |
| C4 | C5 | C6 | 120.8° | 120.2° |
| C4 | C5 | N11 | 124.2° | 116.8° |
| C4 | N7 | C8 | 117.3° | 121.0° |
| C4 | N7 | C32 | 116.6° | 119.5° |
| C6 | C5 | N11 | 114.8° | 123.0° |
| C5 | C6 | O29 | 118.8° | 120.4° |
| C5 | N11 | C10 | 133.7° | 126.4° |
| C5 | N11 | HN11 | 113.1° | 116.8° |
| C6 | O29 | HO29 | 109.5° | 114.0° |
| C17 | C8 | N7 | 110.7° | 108.1° |
| C17 | C8 | C9 | 112.5° | 108.2° |
| C8 | C17 | C16 | 124.5° | 120.0° |
| C8 | C17 | C21 | 117.0° | 119.9° |
| C17 | C8 | H8 | 106.5° | 108.1° |
| N7 | C8 | C9 | 109.4° | 116.1° |
| C8 | N7 | C32 | 125.9° | 119.5° |
| N7 | C8 | H8 | 109.8° | 108.2° |
| C8 | C9 | S12 | 112.4° | 113.2° |
| C8 | C9 | C10 | 125.4° | 125.5° |
| C9 | C8 | H8 | 107.8° | 108.0° |
| C14 | C15 | C10 | 118.8° | 114.8° |
| C15 | C14 | C24 | 109.7° | 109.8° |
| C15 | C14 | C13 | 109.6° | 107.6° |
| C15 | C14 | C25 | 110.4° | 109.9° |
| C14 | C15 | H15 | 106.5° | 108.4° |
| C14 | C15 | H15A | 104.3° | 108.4° |
| C15 | C10 | C9 | 123.3° | 125.2° |
| C15 | C10 | N11 | 111.9° | 111.6° |
| C10 | C15 | H15 | 106.5° | 108.4° |
| C10 | C15 | H15A | 104.3° | 108.5° |
| C17 | C16 | C18 | 120.6° | 120.1° |
| C16 | C17 | C21 | 118.4° | 120.1° |
| C17 | C16 | H16 | 119.7° | 120.0° |
| C16 | C18 | C19 | 120.7° | 119.9° |
| C18 | C16 | H16 | 119.7° | 119.9° |
| C16 | C18 | H18 | 119.6° | 120.0° |
| C17 | C21 | F41 | 118.9° | 120.0° |
| C17 | C21 | C20 | 121.2° | 120.0° |
| C18 | C19 | C20 | 118.9° | 119.9° |
| C18 | C19 | O23 | 122.6° | 120.0° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| C20 | C19 | O23 | 118.5° | 120.1° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C19 | O23 | C22 | 123.7° | 117.0° |
| F41 | C21 | C20 | 119.9° | 120.0° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C24 | C14 | C13 | 109.8° | 109.8° |
| C24 | C14 | C25 | 110.2° | 109.8° |
| C14 | C24 | H24 | 109.5° | 109.5° |
| C14 | C24 | H24A | 109.5° | 109.5° |
| C14 | C24 | H24B | 109.5° | 109.5° |
| C27 | C26 | C22 | 119.4° | 120.0° |
| C27 | C26 | C28 | 119.9° | 120.0° |
| C26 | C27 | H27 | 108.0° | 120.0° |
| C26 | C27 | H27A | 126.0° | 120.0° |
| C34 | C32 | N7 | 127.3° | 120.0° |
| C34 | C32 | O33 | 118.0° | 119.9° |
| C32 | C34 | C35 | 127.7° | 126.5° |
| C32 | C34 | N38 | 124.9° | 126.4° |
| N7 | C32 | O33 | 114.7° | 120.0° |
| C35 | C34 | N38 | 107.4° | 107.1° |
| C34 | C35 | C40 | 126.8° | 126.5° |
| C34 | C35 | O36 | 108.5° | 107.0° |
| C34 | N38 | C37 | 101.4° | 108.5° |
| C40 | C35 | O36 | 124.7° | 126.5° |
| C35 | C40 | H40 | 109.5° | 109.4° |
| C35 | C40 | H40A | 109.5° | 109.5° |
| C35 | C40 | H40B | 109.5° | 109.5° |
| C35 | O36 | C37 | 108.9° | 108.2° |
| C39 | C37 | N38 | 122.1° | 125.4° |
| C39 | C37 | O36 | 124.2° | 125.4° |
| C37 | C39 | H39 | 109.5° | 109.5° |
| C37 | C39 | H39A | 109.5° | 109.5° |
| C37 | C39 | H39B | 109.5° | 109.5° |
| N38 | C37 | O36 | 113.7° | 109.2° |
| O23 | C22 | C26 | 111.6° | 109.5° |
| O23 | C22 | H22 | 108.8° | 109.5° |
| O23 | C22 | H22A | 108.3° | 109.5° |
| C22 | C26 | C28 | 120.6° | 120.0° |
| C26 | C22 | H22 | 108.8° | 109.4° |
| C26 | C22 | H22A | 108.3° | 109.5° |
| C26 | C28 | H28 | 109.5° | 109.5° |
| C26 | C28 | H28A | 109.5° | 109.5° |
| C26 | C28 | H28B | 109.4° | 109.4° |
| S12 | C9 | C10 | 122.2° | 121.3° |
| C9 | S12 | O30 | 107.3° | 104.2° |
| C9 | S12 | O31 | 109.9° | 104.3° |
| C9 | S12 | C13 | 108.0° | 104.5° |
| C9 | C10 | N11 | 124.8° | 123.1° |
| O30 | S12 | O31 | 111.6° | 121.0° |
| O30 | S12 | C13 | 112.4° | 110.5° |
| O31 | S12 | C13 | 107.6° | 110.6° |
| S12 | C13 | C14 | 113.5° | 106.4° |
| S12 | C13 | H13 | 108.2° | 110.0° |
| S12 | C13 | H13A | 107.2° | 110.1° |
| C13 | C14 | C25 | 107.1° | 109.9° |
| C14 | C13 | H13 | 108.1° | 110.1° |
| C14 | C13 | H13A | 107.2° | 110.1° |
| C14 | C25 | H25 | 109.5° | 109.5° |
| C14 | C25 | H25A | 109.5° | 109.5° |
| C14 | C25 | H25B | 109.5° | 109.4° |
| C10 | N11 | HN11 | 113.2° | 116.9° |
| H15 | C15 | H15A | 117.1° | 108.2° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.4° |
| H27 | C27 | H27A | 126.0° | 120.0° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| H39 | C39 | H39B | 109.4° | 109.4° |
| H39A | C39 | H39B | 109.5° | 109.4° |
| H40 | C40 | H40A | 109.4° | 109.5° |
| H40 | C40 | H40B | 109.5° | 109.4° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| H22 | C22 | H22A | 111.1° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H13 | C13 | H13A | 112.7° | 110.1° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.4° | 109.4° |
| H25A | C25 | H25B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C2 | C1 | C6 | O29 | 179.3° | 180.0° |
| C1 | C2 | C3 | H3 | 179.3° | 179.9° |
| C6 | C1 | C2 | C3 | 0.7° | 0.8° |
| C1 | C6 | C5 | C4 | 3.2° | 1.8° |
| C1 | C6 | C5 | O29 | 178.8° | 180.0° |
| C1 | C6 | C5 | N11 | 178.5° | 175.5° |
| C6 | C1 | C2 | H2 | 179.3° | 179.1° |
| C1 | C6 | O29 | HO29 | 138.2° | 90.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.2° | 1.9° |
| C2 | C3 | C4 | N7 | 176.8° | 175.1° |
| C3 | C2 | C1 | H1 | 179.3° | 178.8° |
| C3 | C4 | C5 | N7 | 173.5° | 177.2° |
| C3 | C4 | C5 | C6 | 4.5° | 2.7° |
| C3 | C4 | C5 | N11 | 179.3° | 174.7° |
| C3 | C4 | N7 | C8 | 122.6° | 114.0° |
| C3 | C4 | N7 | C32 | 53.9° | 66.0° |
| C4 | C3 | C2 | H2 | 179.3° | 179.9° |
| C4 | C5 | C6 | N11 | 175.3° | 177.3° |
| C4 | C5 | C6 | O29 | 178.0° | 178.3° |
| C5 | C4 | N7 | C8 | 50.8° | 63.1° |
| C5 | C4 | N7 | C32 | 132.7° | 116.9° |
| C4 | C5 | N11 | C10 | 20.8° | 67.8° |
| C5 | C4 | C3 | H3 | 176.8° | 178.1° |
| C4 | C5 | N11 | HN11 | 159.2° | 112.1° |
| N7 | C4 | C5 | C6 | 178.0° | 174.4° |
| N7 | C4 | C5 | N11 | 7.1° | 8.2° |
| C4 | N7 | C8 | C17 | 41.8° | 55.7° |
| C4 | N7 | C8 | C32 | 176.1° | 180.0° |
| C4 | N7 | C8 | C9 | 82.7° | 66.0° |
| C4 | N7 | C32 | C34 | 23.3° | 0.0° |
| C4 | N7 | C32 | O33 | 158.3° | 180.0° |
| N7 | C4 | C3 | H3 | 3.2° | 4.9° |
| C4 | N7 | C8 | H8 | 159.1° | 172.5° |
| C6 | C5 | N11 | C10 | 164.1° | 114.9° |
| C5 | C6 | C1 | H1 | 179.5° | 179.6° |
| C5 | C6 | O29 | HO29 | 40.6° | 90.0° |
| C6 | C5 | N11 | HN11 | 15.9° | 65.2° |
| N11 | C5 | C6 | O29 | 2.7° | 4.5° |
| C5 | N11 | C10 | C15 | 176.3° | 132.0° |
| C5 | N11 | C10 | C9 | 4.0° | 46.8° |
| C5 | N11 | C10 | HN11 | 180.0° | 179.9° |
| O29 | C6 | C1 | H1 | 0.7° | 0.4° |
| C17 | C8 | N7 | C9 | 124.5° | 121.7° |
| C17 | C8 | N7 | H8 | 117.3° | 116.8° |
| C17 | C8 | C9 | H8 | 117.1° | 116.7° |
| C8 | C17 | C16 | C21 | 179.0° | 179.9° |
| C8 | C17 | C16 | C18 | 179.9° | 179.9° |
| C8 | C17 | C21 | F41 | 0.1° | 0.1° |
| C8 | C17 | C21 | C20 | 179.5° | 179.9° |
| C17 | C8 | N7 | C32 | 134.3° | 124.3° |
| C17 | C8 | C9 | S12 | 108.1° | 71.2° |
| C17 | C8 | C9 | C10 | 73.4° | 109.8° |
| C8 | C17 | C16 | H16 | 0.2° | 0.3° |
| N7 | C8 | C9 | H8 | 119.4° | 121.6° |
| N7 | C8 | C17 | C16 | 119.0° | 101.9° |
| N7 | C8 | C17 | C21 | 60.0° | 78.2° |
| C8 | N7 | C32 | C34 | 160.5° | 180.0° |
| C8 | N7 | C32 | O33 | 17.8° | 0.0° |
| N7 | C8 | C9 | S12 | 128.4° | 167.1° |
| N7 | C8 | C9 | C10 | 50.1° | 11.9° |
| C8 | C9 | C10 | C15 | 176.0° | 179.1° |
| C9 | C8 | C17 | C16 | 3.7° | 24.5° |
| C9 | C8 | C17 | C21 | 177.2° | 155.4° |
| C9 | C8 | N7 | C32 | 101.1° | 114.0° |
| C8 | C9 | S12 | C10 | 178.5° | 179.0° |
| C8 | C9 | S12 | O30 | 58.9° | 52.9° |
| C8 | C9 | S12 | O31 | 62.6° | 74.9° |
| C8 | C9 | S12 | C13 | 179.7° | 169.0° |
| C8 | C9 | C10 | N11 | 3.7° | 0.5° |
| C14 | C15 | C10 | H15 | 120.0° | 121.3° |
| C14 | C15 | C10 | H15A | 115.6° | 121.4° |
| C15 | C14 | C24 | C13 | 120.5° | 118.1° |
| C15 | C14 | C24 | C25 | 121.7° | 120.9° |
| C14 | C15 | C10 | C9 | 21.8° | 25.6° |
| C15 | C14 | C13 | S12 | 54.7° | 70.3° |
| C15 | C14 | C13 | C25 | 119.8° | 119.6° |
| C14 | C15 | C10 | N11 | 157.8° | 155.6° |
| C14 | C15 | H15 | H15A | 116.2° | 117.4° |
| C15 | C14 | C24 | H24 | 64.9° | 60.0° |
| C15 | C14 | C24 | H24A | 55.1° | 179.9° |
| C15 | C14 | C24 | H24B | 175.1° | 60.0° |
| C15 | C14 | C13 | H13 | 65.3° | 170.5° |
| C15 | C14 | C13 | H13A | 172.9° | 48.9° |
| C15 | C14 | C25 | H25 | 91.2° | 60.0° |
| C15 | C14 | C25 | H25A | 28.8° | 180.0° |
| C15 | C14 | C25 | H25B | 148.8° | 60.0° |
| C10 | C15 | C14 | C24 | 67.8° | 178.4° |
| C15 | C10 | C9 | S12 | 5.7° | 2.0° |
| C15 | C10 | C9 | N11 | 179.6° | 178.6° |
| C10 | C15 | C14 | C13 | 52.9° | 62.1° |
| C10 | C15 | C14 | C25 | 170.6° | 57.5° |
| C10 | C15 | H15 | H15A | 116.2° | 117.4° |
| C15 | C10 | N11 | HN11 | 3.7° | 48.1° |
| C17 | C16 | C18 | H16 | 180.0° | 179.7° |
| C17 | C16 | C18 | C19 | 1.4° | 0.0° |
| C16 | C17 | C21 | F41 | 179.0° | 180.0° |
| C16 | C17 | C21 | C20 | 0.4° | 0.0° |
| C16 | C17 | C8 | H8 | 121.6° | 141.2° |
| C17 | C16 | C18 | H18 | 178.6° | 180.0° |
| C18 | C16 | C17 | C21 | 1.1° | 0.0° |
| C16 | C18 | C19 | H18 | 180.0° | 180.0° |
| C16 | C18 | C19 | C20 | 0.9° | 0.0° |
| C16 | C18 | C19 | O23 | 179.6° | 180.0° |
| C17 | C21 | C20 | C19 | 0.1° | 0.0° |
| C17 | C21 | F41 | C20 | 179.4° | 180.0° |
| C21 | C17 | C8 | H8 | 59.3° | 38.7° |
| C21 | C17 | C16 | H16 | 178.9° | 179.8° |
| C17 | C21 | C20 | H20 | 179.9° | 180.0° |
| C18 | C19 | C20 | O23 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | O23 | C22 | 0.5° | 180.0° |
| C19 | C18 | C16 | H16 | 178.6° | 179.8° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C19 | C20 | C21 | F41 | 179.5° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C20 | C19 | O23 | C22 | 178.9° | 0.0° |
| C20 | C19 | C18 | H18 | 179.0° | 180.0° |
| O23 | C19 | C20 | C21 | 179.7° | 180.0° |
| C19 | O23 | C22 | C26 | 72.1° | 180.0° |
| O23 | C19 | C18 | H18 | 0.4° | 0.0° |
| O23 | C19 | C20 | H20 | 0.4° | 0.0° |
| C19 | O23 | C22 | H22 | 167.9° | 60.0° |
| C19 | O23 | C22 | H22A | 47.0° | 60.0° |
| F41 | C21 | C20 | H20 | 0.5° | 0.1° |
| C24 | C14 | C13 | S12 | 65.9° | 170.2° |
| C24 | C14 | C13 | C25 | 119.6° | 120.9° |
| C24 | C14 | C15 | H15 | 172.2° | 57.1° |
| C24 | C14 | C15 | H15A | 47.8° | 60.2° |
| C14 | C24 | H24 | H24A | 120.0° | 120.0° |
| C14 | C24 | H24 | H24B | 120.0° | 120.0° |
| C14 | C24 | H24A | H24B | 120.0° | 120.0° |
| C24 | C14 | C13 | H13 | 174.1° | 51.0° |
| C24 | C14 | C13 | H13A | 52.3° | 70.6° |
| C24 | C14 | C25 | H25 | 30.1° | 179.1° |
| C24 | C14 | C25 | H25A | 150.1° | 59.1° |
| C24 | C14 | C25 | H25B | 89.9° | 60.9° |
| C27 | C26 | C22 | O23 | 33.0° | 0.1° |
| C27 | C26 | C22 | C28 | 178.5° | 179.9° |
| C26 | C27 | H27 | H27A | 180.0° | 179.9° |
| C27 | C26 | C22 | H22 | 87.0° | 120.1° |
| C27 | C26 | C22 | H22A | 152.1° | 119.9° |
| C27 | C26 | C28 | H28 | 11.6° | 90.0° |
| C27 | C26 | C28 | H28A | 131.6° | 149.9° |
| C27 | C26 | C28 | H28B | 108.4° | 29.9° |
| C34 | C32 | N7 | O33 | 178.3° | 180.0° |
| C32 | C34 | C35 | N38 | 179.6° | 179.8° |
| C32 | C34 | C35 | C40 | 0.2° | 0.0° |
| C32 | C34 | C35 | O36 | 178.7° | 180.0° |
| C32 | C34 | N38 | C37 | 179.3° | 180.0° |
| N7 | C32 | C34 | C35 | 50.7° | 180.0° |
| N7 | C32 | C34 | N38 | 129.9° | 0.2° |
| C32 | N7 | C8 | H8 | 17.0° | 7.5° |
| O33 | C32 | C34 | C35 | 127.6° | 0.0° |
| O33 | C32 | C34 | N38 | 51.8° | 179.7° |
| C34 | C35 | C40 | O36 | 178.8° | 180.0° |
| C35 | C34 | N38 | C37 | 0.2° | 0.2° |
| C34 | C35 | O36 | C37 | 1.1° | 0.2° |
| C34 | C35 | C40 | H40 | 63.6° | 90.0° |
| C34 | C35 | C40 | H40A | 176.5° | 150.0° |
| C34 | C35 | C40 | H40B | 56.4° | 30.0° |
| N38 | C34 | C35 | C40 | 179.8° | 179.8° |
| N38 | C34 | C35 | O36 | 0.8° | 0.2° |
| C34 | N38 | C37 | C39 | 179.8° | 179.9° |
| C34 | N38 | C37 | O36 | 0.4° | 0.1° |
| C40 | C35 | O36 | C37 | 179.9° | 179.9° |
| C35 | C40 | H40 | H40A | 120.0° | 120.0° |
| C35 | C40 | H40 | H40B | 120.0° | 120.0° |
| C35 | C40 | H40A | H40B | 120.0° | 120.1° |
| C35 | O36 | C37 | C39 | 179.7° | 179.8° |
| C35 | O36 | C37 | N38 | 1.0° | 0.0° |
| O36 | C35 | C40 | H40 | 117.7° | 90.0° |
| O36 | C35 | C40 | H40A | 2.3° | 29.9° |
| O36 | C35 | C40 | H40B | 122.3° | 150.0° |
| C39 | C37 | N38 | O36 | 179.4° | 179.8° |
| C37 | C39 | H39 | H39A | 120.0° | 120.0° |
| C37 | C39 | H39 | H39B | 120.0° | 120.0° |
| C37 | C39 | H39A | H39B | 120.0° | 120.0° |
| N38 | C37 | C39 | H39 | 151.6° | 90.0° |
| N38 | C37 | C39 | H39A | 31.5° | 150.0° |
| N38 | C37 | C39 | H39B | 88.5° | 30.0° |
| O36 | C37 | C39 | H39 | 29.1° | 90.2° |
| O36 | C37 | C39 | H39A | 149.2° | 29.7° |
| O36 | C37 | C39 | H39B | 90.8° | 149.8° |
| O23 | C22 | C26 | H22 | 120.0° | 120.0° |
| O23 | C22 | C26 | H22A | 119.1° | 120.0° |
| O23 | C22 | C26 | C28 | 148.5° | 180.0° |
| O23 | C22 | H22 | H22A | 119.1° | 120.0° |
| C22 | C26 | C27 | H27 | 0.0° | 180.0° |
| C22 | C26 | C27 | H27A | 180.0° | 0.1° |
| C26 | C22 | H22 | H22A | 119.2° | 120.0° |
| C22 | C26 | C28 | H28 | 166.9° | 90.0° |
| C22 | C26 | C28 | H28A | 46.9° | 30.0° |
| C22 | C26 | C28 | H28B | 73.1° | 150.0° |
| C28 | C26 | C27 | H27 | 178.5° | 0.1° |
| C28 | C26 | C27 | H27A | 1.4° | 180.0° |
| C28 | C26 | C22 | H22 | 91.5° | 60.0° |
| C28 | C26 | C22 | H22A | 29.4° | 60.0° |
| C26 | C28 | H28 | H28A | 120.0° | 120.0° |
| C26 | C28 | H28 | H28B | 120.0° | 120.0° |
| C26 | C28 | H28A | H28B | 120.0° | 120.0° |
| C9 | S12 | O30 | O31 | 120.5° | 116.7° |
| C9 | S12 | O30 | C13 | 118.6° | 111.8° |
| C9 | S12 | O31 | C13 | 117.3° | 111.8° |
| C9 | S12 | C13 | C14 | 29.8° | 44.7° |
| S12 | C9 | C10 | N11 | 174.7° | 179.4° |
| S12 | C9 | C8 | H8 | 9.0° | 45.5° |
| C9 | S12 | C13 | H13 | 90.2° | 163.9° |
| C9 | S12 | C13 | H13A | 148.0° | 74.5° |
| C10 | C9 | S12 | O30 | 122.5° | 128.1° |
| C10 | C9 | S12 | O31 | 115.9° | 104.1° |
| C10 | C9 | S12 | C13 | 1.2° | 12.0° |
| C10 | C9 | C8 | H8 | 169.5° | 133.5° |
| C9 | C10 | C15 | H15 | 98.2° | 146.9° |
| C9 | C10 | C15 | H15A | 137.4° | 95.8° |
| C9 | C10 | N11 | HN11 | 176.0° | 133.1° |
| O30 | S12 | O31 | C13 | 123.7° | 131.5° |
| O30 | S12 | C13 | C14 | 88.4° | 156.3° |
| O30 | S12 | C13 | H13 | 151.6° | 84.5° |
| O30 | S12 | C13 | H13A | 29.8° | 37.1° |
| O31 | S12 | C13 | C14 | 148.3° | 67.0° |
| O31 | S12 | C13 | H13 | 28.3° | 52.3° |
| O31 | S12 | C13 | H13A | 93.4° | 173.8° |
| S12 | C13 | C14 | H13 | 120.0° | 119.2° |
| S12 | C13 | C14 | H13A | 118.2° | 119.3° |
| S12 | C13 | C14 | C25 | 174.4° | 49.3° |
| S12 | C13 | H13 | H13A | 118.3° | 121.5° |
| C13 | C14 | C15 | H15 | 67.2° | 176.6° |
| C13 | C14 | C15 | H15A | 168.4° | 59.3° |
| C13 | C14 | C24 | H24 | 55.6° | 178.2° |
| C13 | C14 | C24 | H24A | 175.6° | 61.8° |
| C13 | C14 | C24 | H24B | 64.4° | 58.2° |
| C14 | C13 | H13 | H13A | 118.3° | 121.5° |
| C13 | C14 | C25 | H25 | 149.5° | 58.3° |
| C13 | C14 | C25 | H25A | 90.5° | 61.8° |
| C13 | C14 | C25 | H25B | 29.5° | 178.2° |
| C25 | C14 | C15 | H15 | 50.6° | 63.8° |
| C25 | C14 | C15 | H15A | 73.8° | 178.9° |
| C25 | C14 | C24 | H24 | 173.4° | 60.9° |
| C25 | C14 | C24 | H24A | 66.6° | 59.1° |
| C25 | C14 | C24 | H24B | 53.4° | 179.1° |
| C25 | C14 | C13 | H13 | 54.4° | 69.9° |
| C25 | C14 | C13 | H13A | 67.3° | 168.5° |
| C14 | C25 | H25 | H25A | 120.0° | 120.1° |
| C14 | C25 | H25 | H25B | 120.0° | 120.0° |
| C14 | C25 | H25A | H25B | 120.0° | 120.0° |
| N11 | C10 | C15 | H15 | 82.1° | 34.4° |
| N11 | C10 | C15 | H15A | 42.3° | 82.9° |
| H1 | C1 | C2 | H2 | 0.7° | 1.2° |
| H2 | C2 | C3 | H3 | 0.7° | 0.1° |
| H16 | C16 | C18 | H18 | 1.4° | 0.2° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H39 | C39 | H39A | H39B | 120.0° | 119.9° |
| H40 | C40 | H40A | H40B | 120.0° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
