A1JMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.33Å | |
| C2 | F3 | sing | 1.40Å | 1.33Å | |
| C2 | F4 | sing | 1.40Å | 1.32Å | |
| C2 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | N6 | sing | 1.46Å | 1.47Å | |
| N6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | N12 | sing | 1.39Å | 1.37Å | |
| N12 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | N16 | sing | 1.47Å | 1.50Å | |
| N16 | C17 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N16 | C19 | sing | 1.47Å | 1.49Å | |
| C14 | F20 | sing | 1.40Å | 1.41Å | |
| C11 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.46Å | 1.44Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.45Å | |
| C24 | N25 | doub | 1.31Å | 1.30Å | Aromatic |
| N25 | O26 | sing | 1.21Å | 1.43Å | Aromatic |
| O26 | C27 | sing | 1.34Å | 1.34Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.48Å | |
| C28 | N29 | sing | 1.46Å | 1.45Å | |
| N29 | C30 | sing | 1.35Å | 1.33Å | |
| C30 | C31 | sing | 1.48Å | 1.49Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | N33 | sing | 1.34Å | 1.35Å | Aromatic |
| N33 | N34 | sing | 1.40Å | 1.36Å | Aromatic |
| N34 | C35 | doub | 1.30Å | 1.33Å | Aromatic |
| N33 | C36 | sing | 1.47Å | 1.45Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | C39 | sing | 1.53Å | 1.53Å | |
| C30 | O40 | doub | 1.22Å | 1.23Å | |
| C27 | N41 | doub | 1.31Å | 1.29Å | Aromatic |
| C23 | N6 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| N41 | C24 | sing | 1.35Å | 1.38Å | Aromatic |
| C35 | C31 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C19 | H19C | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37C | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C38 | H38C | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| N29 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | F3 | 106.2° | 109.5° |
| F1 | C2 | F4 | 105.7° | 109.5° |
| F1 | C2 | C5 | 113.2° | 109.5° |
| F3 | C2 | F4 | 107.2° | 109.5° |
| F3 | C2 | C5 | 112.4° | 109.5° |
| F4 | C2 | C5 | 111.6° | 109.4° |
| C2 | C5 | N6 | 112.0° | 109.5° |
| C2 | C5 | H5A | 108.8° | 109.5° |
| C2 | C5 | H5B | 108.8° | 109.4° |
| C5 | N6 | C7 | 124.1° | 125.1° |
| C5 | N6 | C23 | 128.0° | 125.1° |
| N6 | C5 | H5A | 108.8° | 109.5° |
| N6 | C5 | H5B | 108.8° | 109.5° |
| N6 | C7 | C8 | 129.1° | 133.1° |
| C7 | N6 | C23 | 107.9° | 109.8° |
| N6 | C7 | C21 | 108.8° | 107.4° |
| C7 | C8 | C9 | 118.1° | 120.1° |
| C8 | C7 | C21 | 122.1° | 119.4° |
| C7 | C8 | H8 | 121.0° | 119.9° |
| C8 | C9 | C10 | 121.1° | 120.8° |
| C9 | C8 | H8 | 120.9° | 120.0° |
| C8 | C9 | H9 | 119.5° | 119.6° |
| C9 | C10 | C11 | 120.8° | 120.3° |
| C9 | C10 | H10 | 119.6° | 119.9° |
| C10 | C9 | H9 | 119.5° | 119.5° |
| C10 | C11 | N12 | 121.4° | 120.3° |
| C10 | C11 | C21 | 118.9° | 119.5° |
| C11 | C10 | H10 | 119.6° | 119.8° |
| C11 | N12 | C13 | 125.0° | 120.0° |
| N12 | C11 | C21 | 119.8° | 120.2° |
| C11 | N12 | H12 | 105.5° | 120.0° |
| N12 | C13 | C14 | 109.2° | 109.5° |
| N12 | C13 | C18 | 110.5° | 109.5° |
| N12 | C13 | H13 | 109.7° | 109.5° |
| C13 | N12 | H12 | 105.5° | 120.0° |
| C13 | C14 | C15 | 111.5° | 109.2° |
| C13 | C14 | F20 | 108.4° | 109.5° |
| C14 | C13 | C18 | 109.9° | 109.2° |
| C14 | C13 | H13 | 108.8° | 109.6° |
| C13 | C14 | H14 | 109.0° | 109.5° |
| C14 | C15 | N16 | 110.7° | 109.5° |
| C15 | C14 | F20 | 108.3° | 109.6° |
| C15 | C14 | H14 | 109.0° | 109.5° |
| C14 | C15 | H15A | 109.2° | 109.5° |
| C14 | C15 | H15B | 109.2° | 109.4° |
| C15 | N16 | C17 | 110.2° | 111.2° |
| C15 | N16 | C19 | 110.9° | 111.0° |
| N16 | C15 | H15A | 109.2° | 109.4° |
| N16 | C15 | H15B | 109.2° | 109.5° |
| N16 | C17 | C18 | 109.9° | 109.6° |
| C17 | N16 | C19 | 111.5° | 111.0° |
| N16 | C17 | H17A | 109.4° | 109.5° |
| N16 | C17 | H17B | 109.4° | 109.5° |
| C17 | C18 | C13 | 110.1° | 109.2° |
| C18 | C17 | H17A | 109.4° | 109.4° |
| C18 | C17 | H17B | 109.4° | 109.5° |
| C17 | C18 | H18A | 109.3° | 109.5° |
| C17 | C18 | H18B | 109.3° | 109.5° |
| N16 | C19 | H19A | 109.5° | 109.5° |
| N16 | C19 | H19B | 109.5° | 109.5° |
| N16 | C19 | H19C | 109.5° | 109.4° |
| F20 | C14 | H14 | 110.5° | 109.5° |
| C11 | C21 | C22 | 134.3° | 133.8° |
| C11 | C21 | C7 | 119.1° | 119.9° |
| C21 | C22 | C23 | 107.3° | 106.9° |
| C22 | C21 | C7 | 106.6° | 106.4° |
| C21 | C22 | H22 | 126.3° | 126.5° |
| C22 | C23 | C24 | 124.1° | 125.2° |
| C22 | C23 | N6 | 109.4° | 109.5° |
| C23 | C22 | H22 | 126.4° | 126.5° |
| C23 | C24 | N25 | 122.3° | 126.4° |
| C24 | C23 | N6 | 126.5° | 125.3° |
| C23 | C24 | N41 | 122.4° | 126.5° |
| C24 | N25 | O26 | 102.4° | 110.1° |
| N25 | C24 | N41 | 115.2° | 107.1° |
| N25 | O26 | C27 | 106.3° | 110.0° |
| O26 | C27 | C28 | 116.9° | 126.4° |
| O26 | C27 | N41 | 113.5° | 107.2° |
| C27 | C28 | N29 | 112.7° | 109.5° |
| C28 | C27 | N41 | 129.6° | 126.4° |
| C27 | C28 | H28A | 108.7° | 109.5° |
| C27 | C28 | H28B | 108.7° | 109.5° |
| C28 | N29 | C30 | 120.2° | 120.0° |
| N29 | C28 | H28A | 108.6° | 109.5° |
| N29 | C28 | H28B | 108.6° | 109.5° |
| C28 | N29 | H29 | 119.9° | 120.0° |
| N29 | C30 | C31 | 116.6° | 120.0° |
| N29 | C30 | O40 | 122.8° | 120.0° |
| C30 | N29 | H29 | 119.9° | 120.1° |
| C30 | C31 | C32 | 124.8° | 126.4° |
| C31 | C30 | O40 | 120.6° | 120.0° |
| C30 | C31 | C35 | 130.7° | 126.4° |
| C31 | C32 | N33 | 107.0° | 107.4° |
| C32 | C31 | C35 | 104.2° | 107.2° |
| C31 | C32 | H32 | 126.5° | 126.3° |
| C32 | N33 | N34 | 112.4° | 108.5° |
| C32 | N33 | C36 | 126.8° | 125.7° |
| N33 | C32 | H32 | 126.5° | 126.3° |
| N33 | N34 | C35 | 104.1° | 108.9° |
| N34 | N33 | C36 | 120.8° | 125.8° |
| N34 | C35 | C31 | 112.3° | 108.0° |
| N34 | C35 | H35 | 123.9° | 125.9° |
| N33 | C36 | C37 | 108.3° | 109.5° |
| N33 | C36 | C38 | 108.3° | 109.4° |
| N33 | C36 | C39 | 108.3° | 109.4° |
| C37 | C36 | C38 | 110.5° | 109.5° |
| C37 | C36 | C39 | 110.6° | 109.5° |
| C36 | C37 | H37A | 109.5° | 109.5° |
| C36 | C37 | H37B | 109.5° | 109.5° |
| C36 | C37 | H37C | 109.5° | 109.5° |
| C38 | C36 | C39 | 110.7° | 109.5° |
| C36 | C38 | H38A | 109.5° | 109.4° |
| C36 | C38 | H38B | 109.5° | 109.5° |
| C36 | C38 | H38C | 109.5° | 109.5° |
| C36 | C39 | H39A | 109.5° | 109.5° |
| C36 | C39 | H39B | 109.5° | 109.5° |
| C36 | C39 | H39C | 109.5° | 109.5° |
| C27 | N41 | C24 | 102.6° | 105.6° |
| C18 | C13 | H13 | 108.7° | 109.5° |
| C13 | C18 | H18A | 109.3° | 109.5° |
| C13 | C18 | H18B | 109.3° | 109.5° |
| C31 | C35 | H35 | 123.9° | 126.0° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H18A | C18 | H18B | 109.4° | 109.6° |
| H19A | C19 | H19B | 109.4° | 109.5° |
| H19A | C19 | H19C | 109.5° | 109.5° |
| H19B | C19 | H19C | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37C | 109.4° | 109.5° |
| H37B | C37 | H37C | 109.5° | 109.4° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H38A | C38 | H38C | 109.5° | 109.5° |
| H38B | C38 | H38C | 109.4° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.5° |
| H39A | C39 | H39C | 109.4° | 109.5° |
| H39B | C39 | H39C | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | F3 | F4 | 112.7° | 120.0° |
| F1 | C2 | F3 | C5 | 124.4° | 120.0° |
| F1 | C2 | F4 | C5 | 123.5° | 120.0° |
| F1 | C2 | C5 | N6 | 73.1° | 60.0° |
| F1 | C2 | C5 | H5A | 166.6° | 60.0° |
| F1 | C2 | C5 | H5B | 47.3° | 180.0° |
| F3 | C2 | F4 | C5 | 123.5° | 120.0° |
| F3 | C2 | C5 | N6 | 47.3° | 60.0° |
| F3 | C2 | C5 | H5A | 73.0° | 179.9° |
| F3 | C2 | C5 | H5B | 167.7° | 60.0° |
| F4 | C2 | C5 | N6 | 167.8° | 180.0° |
| F4 | C2 | C5 | H5A | 47.5° | 60.0° |
| F4 | C2 | C5 | H5B | 71.8° | 60.0° |
| C2 | C5 | N6 | H5A | 120.3° | 120.0° |
| C2 | C5 | N6 | H5B | 120.4° | 120.0° |
| C2 | C5 | N6 | C7 | 82.3° | 90.0° |
| C2 | C5 | N6 | C23 | 94.9° | 90.0° |
| C2 | C5 | H5A | H5B | 118.9° | 120.0° |
| C5 | N6 | C7 | C23 | 177.8° | 180.0° |
| C5 | N6 | C7 | C8 | 2.1° | 0.1° |
| C5 | N6 | C23 | C22 | 177.5° | 180.0° |
| C5 | N6 | C23 | C24 | 3.8° | 0.1° |
| C5 | N6 | C7 | C21 | 177.6° | 180.0° |
| N6 | C5 | H5A | H5B | 118.8° | 120.0° |
| N6 | C7 | C8 | C21 | 179.6° | 180.0° |
| N6 | C7 | C8 | C9 | 179.5° | 179.7° |
| N6 | C7 | C21 | C11 | 179.6° | 180.0° |
| N6 | C7 | C21 | C22 | 0.1° | 0.0° |
| C7 | N6 | C23 | C22 | 0.2° | 0.0° |
| C7 | N6 | C23 | C24 | 178.6° | 179.9° |
| C7 | N6 | C5 | H5A | 157.3° | 150.0° |
| C7 | N6 | C5 | H5B | 38.0° | 30.0° |
| N6 | C7 | C8 | H8 | 0.5° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.1° | 0.6° |
| C8 | C7 | C21 | C11 | 0.1° | 0.0° |
| C8 | C7 | C21 | C22 | 179.8° | 179.9° |
| C8 | C7 | N6 | C23 | 179.8° | 179.9° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 0.2° | 0.5° |
| C9 | C8 | C7 | C21 | 0.1° | 0.3° |
| C8 | C9 | C10 | H10 | 179.8° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | N12 | 179.7° | 179.8° |
| C9 | C10 | C11 | C21 | 0.2° | 0.2° |
| C10 | C9 | C8 | H8 | 179.9° | 179.8° |
| C10 | C11 | N12 | C21 | 179.8° | 180.0° |
| C10 | C11 | N12 | C13 | 8.0° | 0.0° |
| C10 | C11 | C21 | C22 | 179.7° | 180.0° |
| C10 | C11 | C21 | C7 | 0.1° | 0.1° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C11 | N12 | H12 | 130.1° | 180.0° |
| C11 | N12 | C13 | H12 | 122.1° | 180.0° |
| C11 | N12 | C13 | C14 | 70.5° | 155.0° |
| N12 | C11 | C21 | C22 | 0.1° | 0.1° |
| N12 | C11 | C21 | C7 | 179.7° | 180.0° |
| C11 | N12 | C13 | C18 | 168.5° | 85.3° |
| N12 | C11 | C10 | H10 | 0.4° | 0.1° |
| C11 | N12 | C13 | H13 | 48.7° | 34.8° |
| N12 | C13 | C14 | C18 | 121.4° | 119.9° |
| N12 | C13 | C14 | H13 | 119.7° | 120.1° |
| N12 | C13 | C14 | C15 | 176.0° | 177.6° |
| N12 | C13 | C18 | C17 | 176.6° | 177.6° |
| N12 | C13 | C14 | F20 | 56.8° | 57.6° |
| C13 | N12 | C11 | C21 | 171.8° | 180.0° |
| N12 | C13 | C18 | H13 | 120.4° | 120.1° |
| N12 | C13 | C14 | H14 | 63.5° | 62.5° |
| N12 | C13 | C18 | H18A | 63.3° | 57.6° |
| N12 | C13 | C18 | H18B | 56.5° | 62.5° |
| C13 | C14 | C15 | F20 | 119.3° | 120.0° |
| C13 | C14 | C15 | H14 | 120.4° | 119.9° |
| C13 | C14 | C15 | N16 | 56.1° | 59.2° |
| C14 | C13 | C18 | C17 | 56.0° | 57.7° |
| C13 | C14 | F20 | H14 | 119.4° | 120.1° |
| C14 | C13 | C18 | H13 | 118.9° | 120.0° |
| C13 | C14 | C15 | H15A | 64.0° | 60.8° |
| C13 | C14 | C15 | H15B | 176.3° | 179.2° |
| C14 | C13 | C18 | H18A | 176.1° | 62.2° |
| C14 | C13 | C18 | H18B | 64.1° | 177.6° |
| C14 | C13 | N12 | H12 | 51.6° | 25.0° |
| C14 | C15 | N16 | H15A | 120.2° | 120.1° |
| C14 | C15 | N16 | H15B | 120.2° | 120.0° |
| C14 | C15 | N16 | C17 | 58.8° | 61.7° |
| C14 | C15 | N16 | C19 | 177.1° | 174.1° |
| C15 | C14 | F20 | H14 | 119.4° | 120.2° |
| C15 | C14 | C13 | C18 | 54.6° | 57.7° |
| C15 | C14 | C13 | H13 | 64.2° | 62.2° |
| C14 | C15 | H15A | H15B | 119.4° | 119.9° |
| C15 | N16 | C17 | C19 | 123.7° | 124.2° |
| C15 | N16 | C17 | C18 | 60.6° | 61.7° |
| N16 | C15 | C14 | F20 | 63.1° | 60.8° |
| N16 | C15 | C14 | H14 | 176.5° | 179.1° |
| N16 | C15 | H15A | H15B | 119.5° | 120.0° |
| C15 | N16 | C17 | H17A | 59.5° | 178.3° |
| C15 | N16 | C17 | H17B | 179.4° | 58.3° |
| C15 | N16 | C19 | H19A | 180.0° | 60.0° |
| C15 | N16 | C19 | H19B | 60.0° | 180.0° |
| C15 | N16 | C19 | H19C | 60.0° | 60.1° |
| N16 | C17 | C18 | H17A | 120.1° | 120.1° |
| N16 | C17 | C18 | H17B | 120.0° | 120.1° |
| N16 | C17 | C18 | C13 | 59.4° | 59.2° |
| C17 | N16 | C15 | H15A | 61.3° | 58.3° |
| C17 | N16 | C15 | H15B | 179.0° | 178.3° |
| N16 | C17 | H17A | H17B | 119.8° | 120.0° |
| N16 | C17 | C18 | H18A | 179.5° | 60.8° |
| N16 | C17 | C18 | H18B | 60.7° | 179.1° |
| C17 | N16 | C19 | H19A | 56.7° | 175.8° |
| C17 | N16 | C19 | H19B | 63.3° | 55.8° |
| C17 | N16 | C19 | H19C | 176.7° | 64.2° |
| C18 | C17 | N16 | C19 | 175.7° | 174.1° |
| C17 | C18 | C13 | H18A | 120.1° | 119.9° |
| C17 | C18 | C13 | H18B | 120.1° | 119.9° |
| C17 | C18 | C13 | H13 | 62.9° | 62.3° |
| C18 | C17 | H17A | H17B | 119.8° | 119.9° |
| C17 | C18 | H18A | H18B | 119.7° | 120.1° |
| C19 | N16 | C15 | H15A | 62.7° | 65.8° |
| C19 | N16 | C15 | H15B | 56.9° | 54.1° |
| C19 | N16 | C17 | H17A | 64.2° | 54.1° |
| C19 | N16 | C17 | H17B | 55.7° | 65.8° |
| N16 | C19 | H19A | H19B | 120.0° | 120.0° |
| N16 | C19 | H19A | H19C | 120.0° | 120.0° |
| N16 | C19 | H19B | H19C | 120.0° | 120.0° |
| F20 | C14 | C13 | C18 | 64.6° | 62.3° |
| F20 | C14 | C13 | H13 | 176.6° | 177.8° |
| F20 | C14 | C15 | H15A | 176.7° | 179.2° |
| F20 | C14 | C15 | H15B | 57.1° | 59.3° |
| C11 | C21 | C22 | C7 | 179.7° | 179.9° |
| C11 | C21 | C22 | C23 | 179.7° | 179.9° |
| C21 | C11 | C10 | H10 | 179.8° | 179.9° |
| C11 | C21 | C22 | H22 | 0.3° | 0.1° |
| C21 | C11 | N12 | H12 | 49.7° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 178.7° | 179.9° |
| C21 | C22 | C23 | N6 | 0.1° | 0.0° |
| C22 | C23 | C24 | N6 | 178.5° | 179.9° |
| C22 | C23 | C24 | N25 | 156.3° | 180.0° |
| C23 | C22 | C21 | C7 | 0.0° | 0.0° |
| C22 | C23 | C24 | N41 | 20.6° | 0.4° |
| C23 | C24 | N25 | N41 | 177.1° | 179.7° |
| C23 | C24 | N25 | O26 | 177.1° | 179.9° |
| C23 | C24 | N41 | C27 | 177.1° | 179.9° |
| C24 | C23 | C22 | H22 | 1.3° | 0.1° |
| C24 | N25 | O26 | C27 | 0.1° | 0.1° |
| N25 | C24 | N41 | C27 | 0.0° | 0.2° |
| N25 | C24 | C23 | N6 | 25.2° | 0.1° |
| N25 | O26 | C27 | C28 | 178.3° | 179.9° |
| N25 | O26 | C27 | N41 | 0.1° | 0.0° |
| O26 | N25 | C24 | N41 | 0.0° | 0.2° |
| O26 | C27 | C28 | N41 | 178.1° | 179.8° |
| O26 | C27 | C28 | N29 | 151.5° | 90.2° |
| O26 | C27 | N41 | C24 | 0.0° | 0.2° |
| O26 | C27 | C28 | H28A | 31.1° | 29.8° |
| O26 | C27 | C28 | H28B | 88.0° | 149.7° |
| C27 | C28 | N29 | H28A | 120.5° | 120.0° |
| C27 | C28 | N29 | H28B | 120.5° | 120.0° |
| C27 | C28 | N29 | C30 | 118.7° | 180.0° |
| C28 | C27 | N41 | C24 | 178.1° | 180.0° |
| C27 | C28 | H28A | H28B | 118.6° | 120.0° |
| C27 | C28 | N29 | H29 | 61.3° | 0.0° |
| C28 | N29 | C30 | H29 | 180.0° | 179.9° |
| C28 | N29 | C30 | C31 | 172.7° | 180.0° |
| C28 | N29 | C30 | O40 | 6.1° | 0.0° |
| N29 | C28 | C27 | N41 | 30.4° | 90.0° |
| N29 | C28 | H28A | H28B | 118.5° | 120.0° |
| N29 | C30 | C31 | O40 | 178.9° | 180.0° |
| N29 | C30 | C31 | C32 | 172.4° | 180.0° |
| N29 | C30 | C31 | C35 | 1.0° | 0.3° |
| C30 | N29 | C28 | H28A | 120.8° | 60.0° |
| C30 | N29 | C28 | H28B | 1.8° | 60.0° |
| C30 | C31 | C32 | C35 | 174.9° | 179.7° |
| C30 | C31 | C32 | N33 | 174.7° | 180.0° |
| C30 | C31 | C35 | N34 | 174.3° | 180.0° |
| C30 | C31 | C32 | H32 | 5.3° | 0.1° |
| C30 | C31 | C35 | H35 | 5.6° | 0.0° |
| C31 | C30 | N29 | H29 | 7.3° | 0.1° |
| C31 | C32 | N33 | H32 | 180.0° | 179.9° |
| C31 | C32 | N33 | N34 | 0.2° | 0.2° |
| C32 | C31 | C35 | N34 | 0.1° | 0.2° |
| C31 | C32 | N33 | C36 | 177.8° | 180.0° |
| C32 | C31 | C30 | O40 | 6.4° | 0.0° |
| C32 | C31 | C35 | H35 | 179.9° | 179.7° |
| C32 | N33 | N34 | C36 | 178.2° | 179.8° |
| C32 | N33 | N34 | C35 | 0.2° | 0.0° |
| C32 | N33 | C36 | C37 | 2.5° | 75.0° |
| C32 | N33 | C36 | C38 | 122.3° | 45.0° |
| C32 | N33 | C36 | C39 | 117.5° | 165.0° |
| N33 | C32 | C31 | C35 | 0.2° | 0.3° |
| N34 | N33 | C36 | C37 | 175.5° | 104.8° |
| N34 | N33 | C36 | C38 | 55.6° | 135.2° |
| N34 | N33 | C36 | C39 | 64.6° | 15.2° |
| N33 | N34 | C35 | C31 | 0.0° | 0.1° |
| N34 | N33 | C32 | H32 | 179.8° | 179.9° |
| N33 | N34 | C35 | H35 | 179.9° | 179.9° |
| C35 | N34 | N33 | C36 | 178.0° | 179.9° |
| N34 | C35 | C31 | H35 | 180.0° | 180.0° |
| N33 | C36 | C37 | C38 | 118.5° | 120.0° |
| N33 | C36 | C37 | C39 | 118.5° | 119.9° |
| N33 | C36 | C38 | C39 | 118.6° | 120.0° |
| C36 | N33 | C32 | H32 | 2.2° | 0.1° |
| N33 | C36 | C37 | H37A | 180.0° | 60.0° |
| N33 | C36 | C37 | H37B | 60.0° | 60.0° |
| N33 | C36 | C37 | H37C | 60.0° | 180.0° |
| N33 | C36 | C38 | H38A | 180.0° | 180.0° |
| N33 | C36 | C38 | H38B | 60.0° | 60.0° |
| N33 | C36 | C38 | H38C | 60.0° | 60.0° |
| N33 | C36 | C39 | H39A | 180.0° | 60.0° |
| N33 | C36 | C39 | H39B | 60.0° | 60.0° |
| N33 | C36 | C39 | H39C | 60.0° | 180.0° |
| C37 | C36 | C38 | C39 | 122.9° | 120.0° |
| C36 | C37 | H37A | H37B | 120.0° | 120.0° |
| C36 | C37 | H37A | H37C | 120.0° | 120.0° |
| C36 | C37 | H37B | H37C | 120.0° | 120.0° |
| C37 | C36 | C38 | H38A | 61.5° | 60.0° |
| C37 | C36 | C38 | H38B | 178.5° | 180.0° |
| C37 | C36 | C38 | H38C | 58.5° | 60.0° |
| C37 | C36 | C39 | H39A | 61.5° | 59.9° |
| C37 | C36 | C39 | H39B | 58.5° | 180.0° |
| C37 | C36 | C39 | H39C | 178.5° | 60.1° |
| C38 | C36 | C37 | H37A | 61.5° | 60.0° |
| C38 | C36 | C37 | H37B | 58.5° | 180.0° |
| C38 | C36 | C37 | H37C | 178.5° | 60.0° |
| C36 | C38 | H38A | H38B | 120.0° | 120.0° |
| C36 | C38 | H38A | H38C | 120.0° | 120.0° |
| C36 | C38 | H38B | H38C | 120.0° | 120.0° |
| C38 | C36 | C39 | H39A | 61.3° | 180.0° |
| C38 | C36 | C39 | H39B | 178.6° | 59.9° |
| C38 | C36 | C39 | H39C | 58.6° | 60.0° |
| C39 | C36 | C37 | H37A | 61.4° | 179.9° |
| C39 | C36 | C37 | H37B | 178.6° | 59.9° |
| C39 | C36 | C37 | H37C | 58.5° | 60.0° |
| C39 | C36 | C38 | H38A | 61.4° | 60.0° |
| C39 | C36 | C38 | H38B | 58.6° | 59.9° |
| C39 | C36 | C38 | H38C | 178.6° | 180.0° |
| C36 | C39 | H39A | H39B | 120.0° | 120.1° |
| C36 | C39 | H39A | H39C | 120.0° | 120.0° |
| C36 | C39 | H39B | H39C | 120.0° | 119.9° |
| O40 | C30 | C31 | C35 | 179.9° | 179.7° |
| O40 | C30 | N29 | H29 | 173.9° | 180.0° |
| N41 | C27 | C28 | H28A | 150.9° | 150.0° |
| N41 | C27 | C28 | H28B | 90.1° | 30.1° |
| C23 | N6 | C7 | C21 | 0.2° | 0.0° |
| N6 | C23 | C24 | N41 | 157.9° | 179.7° |
| N6 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | N6 | C5 | H5A | 25.4° | 30.0° |
| C23 | N6 | C5 | H5B | 144.7° | 150.0° |
| C7 | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | C7 | C8 | H8 | 179.9° | 179.9° |
| C18 | C13 | C14 | H14 | 175.1° | 177.6° |
| C13 | C18 | C17 | H17A | 60.7° | 179.2° |
| C13 | C18 | C17 | H17B | 179.4° | 60.9° |
| C13 | C18 | H18A | H18B | 119.7° | 120.1° |
| C18 | C13 | N12 | H12 | 69.4° | 94.7° |
| C35 | C31 | C32 | H32 | 179.8° | 179.8° |
| H10 | C10 | C9 | H9 | 0.2° | 0.3° |
| H13 | C13 | C14 | H14 | 56.2° | 57.7° |
| H13 | C13 | C18 | H18A | 57.2° | 177.8° |
| H13 | C13 | C18 | H18B | 177.0° | 57.6° |
| H13 | C13 | N12 | H12 | 170.8° | 145.1° |
| H14 | C14 | C15 | H15A | 56.3° | 59.1° |
| H14 | C14 | C15 | H15B | 63.3° | 60.9° |
| H17A | C17 | C18 | H18A | 59.5° | 59.3° |
| H17A | C17 | C18 | H18B | 179.2° | 60.9° |
| H17B | C17 | C18 | H18A | 60.4° | 179.2° |
| H17B | C17 | C18 | H18B | 59.3° | 59.0° |
| H19A | C19 | H19B | H19C | 120.0° | 120.0° |
| H28A | C28 | N29 | H29 | 59.2° | 120.0° |
| H28B | C28 | N29 | H29 | 178.2° | 120.1° |
| H37A | C37 | H37B | H37C | 120.0° | 120.0° |
| H38A | C38 | H38B | H38C | 120.0° | 120.0° |
| H39A | C39 | H39B | H39C | 120.0° | 120.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.3° |
