XGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.50Å | 1.50Å | |
| N1 | C3 | sing | 1.49Å | 1.48Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| C2 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.49Å | 1.51Å | |
| C4 | C5 | sing | 1.58Å | 1.55Å | |
| C4 | C8 | sing | 1.50Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N7 | sing | 1.50Å | 1.51Å | |
| N7 | C8 | sing | 1.49Å | 1.48Å | |
| N7 | C22 | sing | 1.35Å | 1.38Å | |
| C11 | O12 | doub | 1.21Å | 1.22Å | |
| C11 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C18 | sing | 1.51Å | 1.48Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C17 | C18 | doub | 1.36Å | 1.42Å | Aromatic |
| C17 | N21 | sing | 1.33Å | 1.41Å | Aromatic |
| C18 | N19 | sing | 1.34Å | 1.40Å | Aromatic |
| N19 | N20 | sing | 1.29Å | 1.39Å | Aromatic |
| N20 | N21 | doub | 1.29Å | 1.30Å | Aromatic |
| C22 | O23 | sing | 1.35Å | 1.41Å | |
| C22 | O24 | doub | 1.21Å | 1.23Å | |
| O23 | C25 | sing | 1.45Å | 1.44Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | O32 | sing | 1.36Å | 1.40Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| O32 | C33 | sing | 1.43Å | 1.41Å | |
| C33 | F34 | sing | 1.40Å | 1.34Å | |
| C33 | F35 | sing | 1.40Å | 1.33Å | |
| C33 | F36 | sing | 1.40Å | 1.33Å | |
| C13 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H49 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.09Å | 1.10Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H53 | sing | 1.09Å | 1.10Å | |
| C25 | H54 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.08Å | 1.08Å | |
| C28 | H56 | sing | 1.08Å | 1.08Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| N19 | H52 | sing | 0.97Å | 1.00Å | |
| C30 | H57 | sing | 1.08Å | 1.08Å | |
| C31 | H58 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 113.2° | 107.7° |
| C2 | N1 | C11 | 122.6° | 126.1° |
| N1 | C2 | C5 | 99.2° | 102.4° |
| N1 | C2 | H37 | 112.0° | 110.8° |
| N1 | C2 | H38 | 112.0° | 110.8° |
| C3 | N1 | C11 | 124.2° | 126.2° |
| N1 | C3 | C4 | 99.3° | 104.6° |
| N1 | C3 | H40 | 112.0° | 110.4° |
| N1 | C3 | H39 | 111.9° | 110.4° |
| N1 | C11 | O12 | 117.0° | 120.0° |
| N1 | C11 | C13 | 119.2° | 120.0° |
| C2 | C5 | C4 | 100.6° | 97.8° |
| C2 | C5 | C6 | 125.9° | 124.1° |
| C5 | C2 | H37 | 112.0° | 110.8° |
| C5 | C2 | H38 | 112.0° | 110.8° |
| C2 | C5 | H9 | 108.9° | 111.2° |
| C3 | C4 | C5 | 100.6° | 100.7° |
| C3 | C4 | C8 | 123.8° | 129.2° |
| C4 | C3 | H40 | 111.9° | 110.4° |
| C4 | C3 | H39 | 112.0° | 110.4° |
| C3 | C4 | H10 | 109.8° | 108.6° |
| C5 | C4 | C8 | 102.1° | 100.6° |
| C4 | C5 | C6 | 102.3° | 97.8° |
| C5 | C4 | H10 | 109.3° | 107.6° |
| C4 | C5 | H9 | 108.6° | 111.8° |
| C4 | C8 | N7 | 99.4° | 104.6° |
| C8 | C4 | H10 | 109.8° | 107.9° |
| C4 | C8 | H44 | 112.0° | 110.4° |
| C4 | C8 | H43 | 112.0° | 110.4° |
| C5 | C6 | N7 | 99.9° | 102.4° |
| C6 | C5 | H9 | 109.0° | 111.7° |
| C5 | C6 | H41 | 111.8° | 110.8° |
| C5 | C6 | H42 | 111.8° | 110.8° |
| C6 | N7 | C8 | 113.7° | 107.8° |
| C6 | N7 | C22 | 122.2° | 126.1° |
| N7 | C6 | H41 | 111.8° | 110.8° |
| N7 | C6 | H42 | 111.8° | 110.8° |
| C8 | N7 | C22 | 122.1° | 126.1° |
| N7 | C8 | H44 | 111.9° | 110.4° |
| N7 | C8 | H43 | 112.0° | 110.4° |
| N7 | C22 | O23 | 111.0° | 120.0° |
| N7 | C22 | O24 | 123.8° | 120.0° |
| O12 | C11 | C13 | 123.8° | 120.0° |
| C11 | C13 | C14 | 108.0° | 109.5° |
| C11 | C13 | C16 | 109.0° | 109.5° |
| C11 | C13 | H45 | 109.2° | 109.5° |
| C14 | C13 | C16 | 113.0° | 109.6° |
| C13 | C14 | C15 | 110.6° | 109.5° |
| C14 | C13 | H45 | 108.7° | 109.4° |
| C13 | C14 | H46 | 109.2° | 109.5° |
| C13 | C14 | H47 | 109.2° | 109.5° |
| C13 | C16 | C17 | 107.4° | 108.3° |
| C16 | C13 | H45 | 108.8° | 109.4° |
| C13 | C16 | H50 | 110.0° | 109.7° |
| C13 | C16 | H51 | 110.0° | 109.7° |
| C14 | C15 | C18 | 106.9° | 108.3° |
| C14 | C15 | H49 | 110.2° | 109.7° |
| C14 | C15 | H48 | 110.1° | 109.7° |
| C15 | C14 | H46 | 109.2° | 109.5° |
| C15 | C14 | H47 | 109.2° | 109.4° |
| C15 | C18 | C17 | 125.7° | 124.3° |
| C15 | C18 | N19 | 129.5° | 129.2° |
| C18 | C15 | H49 | 110.1° | 109.7° |
| C18 | C15 | H48 | 110.1° | 109.6° |
| C16 | C17 | C18 | 125.2° | 124.2° |
| C16 | C17 | N21 | 126.9° | 129.2° |
| C17 | C16 | H50 | 110.0° | 109.7° |
| C17 | C16 | H51 | 110.0° | 109.7° |
| C18 | C17 | N21 | 107.9° | 106.6° |
| C17 | C18 | N19 | 104.8° | 106.5° |
| C17 | N21 | N20 | 108.5° | 108.7° |
| C18 | N19 | N20 | 108.7° | 108.0° |
| C18 | N19 | H52 | 125.6° | 126.0° |
| N19 | N20 | N21 | 110.1° | 110.2° |
| N20 | N19 | H52 | 125.7° | 126.0° |
| O23 | C22 | O24 | 125.2° | 120.0° |
| C22 | O23 | C25 | 122.0° | 117.0° |
| O23 | C25 | C26 | 108.2° | 109.4° |
| O23 | C25 | H53 | 109.8° | 109.5° |
| O23 | C25 | H54 | 109.8° | 109.5° |
| C25 | C26 | C27 | 118.7° | 120.0° |
| C25 | C26 | C31 | 121.7° | 119.9° |
| C26 | C25 | H53 | 109.8° | 109.5° |
| C26 | C25 | H54 | 109.8° | 109.5° |
| C27 | C26 | C31 | 119.6° | 120.1° |
| C26 | C27 | C28 | 121.1° | 120.1° |
| C26 | C27 | H55 | 119.5° | 119.9° |
| C26 | C31 | C30 | 120.2° | 120.0° |
| C26 | C31 | H58 | 119.9° | 120.0° |
| C27 | C28 | C29 | 118.7° | 120.0° |
| C28 | C27 | H55 | 119.5° | 120.0° |
| C27 | C28 | H56 | 120.7° | 120.0° |
| C28 | C29 | C30 | 121.9° | 119.9° |
| C28 | C29 | O32 | 113.5° | 120.1° |
| C29 | C28 | H56 | 120.6° | 120.0° |
| C30 | C29 | O32 | 124.6° | 120.0° |
| C29 | C30 | C31 | 118.6° | 119.9° |
| C29 | C30 | H57 | 120.7° | 120.0° |
| C29 | O32 | C33 | 119.3° | 117.0° |
| C31 | C30 | H57 | 120.7° | 120.1° |
| C30 | C31 | H58 | 119.9° | 120.0° |
| O32 | C33 | F34 | 112.3° | 109.4° |
| O32 | C33 | F35 | 108.5° | 109.4° |
| O32 | C33 | F36 | 112.5° | 109.5° |
| F34 | C33 | F35 | 106.4° | 109.5° |
| F34 | C33 | F36 | 108.3° | 109.5° |
| F35 | C33 | F36 | 108.7° | 109.5° |
| H49 | C15 | H48 | 109.5° | 109.7° |
| H50 | C16 | H51 | 109.5° | 109.7° |
| H53 | C25 | H54 | 109.4° | 109.5° |
| H37 | C2 | H38 | 109.5° | 110.9° |
| H40 | C3 | H39 | 109.4° | 110.5° |
| H41 | C6 | H42 | 109.5° | 110.9° |
| H44 | C8 | H43 | 109.4° | 110.5° |
| H46 | C14 | H47 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | C11 | 178.3° | 179.7° |
| N1 | C2 | C5 | H37 | 118.3° | 118.2° |
| N1 | C2 | C5 | H38 | 118.3° | 118.2° |
| C2 | N1 | C3 | C4 | 18.3° | 6.8° |
| N1 | C2 | C5 | C4 | 39.0° | 45.6° |
| N1 | C2 | C5 | C6 | 152.8° | 150.6° |
| C2 | N1 | C11 | O12 | 176.5° | 5.3° |
| C2 | N1 | C11 | C13 | 3.0° | 175.0° |
| N1 | C2 | H37 | H38 | 124.8° | 123.6° |
| C2 | N1 | C3 | H40 | 136.7° | 125.5° |
| C2 | N1 | C3 | H39 | 100.0° | 112.0° |
| N1 | C2 | C5 | H9 | 75.0° | 71.4° |
| C3 | N1 | C2 | C5 | 13.5° | 25.8° |
| N1 | C3 | C4 | H40 | 118.3° | 118.8° |
| N1 | C3 | C4 | H39 | 118.3° | 118.8° |
| N1 | C3 | C4 | C5 | 42.1° | 35.0° |
| N1 | C3 | C4 | C8 | 154.6° | 148.4° |
| C3 | N1 | C11 | O12 | 5.4° | 175.0° |
| C3 | N1 | C11 | C13 | 175.2° | 4.7° |
| C3 | N1 | C2 | H37 | 131.8° | 144.0° |
| C3 | N1 | C2 | H38 | 104.8° | 92.4° |
| N1 | C3 | H40 | H39 | 124.7° | 122.4° |
| N1 | C3 | C4 | H10 | 73.0° | 77.7° |
| C11 | N1 | C2 | C5 | 168.1° | 154.4° |
| C11 | N1 | C3 | C4 | 160.0° | 172.9° |
| N1 | C11 | O12 | C13 | 179.5° | 179.7° |
| N1 | C11 | C13 | C14 | 91.8° | 153.6° |
| N1 | C11 | C13 | C16 | 145.0° | 86.3° |
| N1 | C11 | C13 | H45 | 26.3° | 33.6° |
| C11 | N1 | C2 | H37 | 49.8° | 36.2° |
| C11 | N1 | C2 | H38 | 73.6° | 87.4° |
| C11 | N1 | C3 | H40 | 41.7° | 54.2° |
| C11 | N1 | C3 | H39 | 81.6° | 68.2° |
| C2 | C5 | C4 | C3 | 52.6° | 50.1° |
| C2 | C5 | C4 | C6 | 130.6° | 126.2° |
| C2 | C5 | C4 | H9 | 114.3° | 116.6° |
| C2 | C5 | C4 | C8 | 179.1° | 176.3° |
| C2 | C5 | C6 | H9 | 132.1° | 137.8° |
| C2 | C5 | C6 | N7 | 146.9° | 150.6° |
| C5 | C2 | H37 | H38 | 124.8° | 123.5° |
| C2 | C5 | C4 | H10 | 62.9° | 63.5° |
| C2 | C5 | C6 | H41 | 94.7° | 91.2° |
| C2 | C5 | C6 | H42 | 28.4° | 32.4° |
| C3 | C4 | C5 | C8 | 128.3° | 133.7° |
| C3 | C4 | C5 | H10 | 115.5° | 113.6° |
| C3 | C4 | C8 | H10 | 132.4° | 134.1° |
| C3 | C4 | C5 | C6 | 176.8° | 176.3° |
| C3 | C4 | C8 | N7 | 152.1° | 148.4° |
| C4 | C3 | H40 | H39 | 124.7° | 122.4° |
| C3 | C4 | C5 | H9 | 61.6° | 66.5° |
| C3 | C4 | C8 | H44 | 89.5° | 92.8° |
| C3 | C4 | C8 | H43 | 33.8° | 29.7° |
| C5 | C4 | C8 | H10 | 115.8° | 112.5° |
| C4 | C5 | C6 | H9 | 114.8° | 117.3° |
| C4 | C5 | C6 | N7 | 33.9° | 45.7° |
| C5 | C4 | C8 | N7 | 40.4° | 35.0° |
| C4 | C5 | C2 | H37 | 157.3° | 163.8° |
| C4 | C5 | C2 | H38 | 79.3° | 72.6° |
| C5 | C4 | C3 | H40 | 160.4° | 153.8° |
| C5 | C4 | C3 | H39 | 76.3° | 83.7° |
| C4 | C5 | C6 | H41 | 152.2° | 163.9° |
| C4 | C5 | C6 | H42 | 84.6° | 72.5° |
| C5 | C4 | C8 | H44 | 158.7° | 153.8° |
| C5 | C4 | C8 | H43 | 78.0° | 83.7° |
| C8 | C4 | C5 | C6 | 48.5° | 50.1° |
| C4 | C8 | N7 | C6 | 20.1° | 6.7° |
| C4 | C8 | N7 | H44 | 118.4° | 118.8° |
| C4 | C8 | N7 | H43 | 118.4° | 118.7° |
| C4 | C8 | N7 | C22 | 175.7° | 173.2° |
| C8 | C4 | C3 | H40 | 87.1° | 92.8° |
| C8 | C4 | C3 | H39 | 36.2° | 29.6° |
| C8 | C4 | C5 | H9 | 66.6° | 67.1° |
| C4 | C8 | H44 | H43 | 124.7° | 122.4° |
| C5 | C6 | N7 | H41 | 118.4° | 118.2° |
| C5 | C6 | N7 | H42 | 118.4° | 118.2° |
| C5 | C6 | N7 | C8 | 9.1° | 25.9° |
| C5 | C6 | N7 | C22 | 155.1° | 154.2° |
| C6 | C5 | C2 | H37 | 88.9° | 91.2° |
| C6 | C5 | C2 | H38 | 34.5° | 32.4° |
| C6 | C5 | C4 | H10 | 67.8° | 62.7° |
| C5 | C6 | H41 | H42 | 124.5° | 123.5° |
| C6 | N7 | C8 | C22 | 164.2° | 179.9° |
| C6 | N7 | C22 | O23 | 178.1° | 180.0° |
| C6 | N7 | C22 | O24 | 2.1° | 0.1° |
| N7 | C6 | C5 | H9 | 81.0° | 71.6° |
| N7 | C6 | H41 | H42 | 124.5° | 123.5° |
| C6 | N7 | C8 | H44 | 138.4° | 125.5° |
| C6 | N7 | C8 | H43 | 98.3° | 112.0° |
| C8 | N7 | C22 | O23 | 15.3° | 0.1° |
| C8 | N7 | C22 | O24 | 164.9° | 180.0° |
| N7 | C8 | C4 | H10 | 75.5° | 77.5° |
| C8 | N7 | C6 | H41 | 127.5° | 144.1° |
| C8 | N7 | C6 | H42 | 109.3° | 92.3° |
| N7 | C8 | H44 | H43 | 124.7° | 122.4° |
| N7 | C22 | O23 | O24 | 179.8° | 179.9° |
| N7 | C22 | O23 | C25 | 180.0° | 180.0° |
| C22 | N7 | C6 | H41 | 36.6° | 36.0° |
| C22 | N7 | C6 | H42 | 86.5° | 87.6° |
| C22 | N7 | C8 | H44 | 57.4° | 54.4° |
| C22 | N7 | C8 | H43 | 65.9° | 68.1° |
| O12 | C11 | C13 | C14 | 88.7° | 26.1° |
| O12 | C11 | C13 | C16 | 34.4° | 94.0° |
| O12 | C11 | C13 | H45 | 153.2° | 146.1° |
| C11 | C13 | C14 | C16 | 120.7° | 120.0° |
| C11 | C13 | C14 | H45 | 118.4° | 120.0° |
| C11 | C13 | C16 | H45 | 119.0° | 120.0° |
| C11 | C13 | C14 | C15 | 172.7° | 169.9° |
| C11 | C13 | C16 | C17 | 164.2° | 169.9° |
| C11 | C13 | C16 | H50 | 76.1° | 70.4° |
| C11 | C13 | C16 | H51 | 44.5° | 50.1° |
| C11 | C13 | C14 | H46 | 67.1° | 70.0° |
| C11 | C13 | C14 | H47 | 52.6° | 49.9° |
| C14 | C13 | C16 | H45 | 120.8° | 120.0° |
| C13 | C14 | C15 | H46 | 120.2° | 120.1° |
| C13 | C14 | C15 | H47 | 120.2° | 120.0° |
| C13 | C14 | C15 | C18 | 49.2° | 49.8° |
| C14 | C13 | C16 | C17 | 44.1° | 49.8° |
| C13 | C14 | C15 | H49 | 168.8° | 69.9° |
| C13 | C14 | C15 | H48 | 70.4° | 169.5° |
| C14 | C13 | C16 | H50 | 163.7° | 169.5° |
| C14 | C13 | C16 | H51 | 75.6° | 69.9° |
| C13 | C14 | H46 | H47 | 119.4° | 119.9° |
| C16 | C13 | C14 | C15 | 66.5° | 70.1° |
| C13 | C16 | C17 | H50 | 119.7° | 119.7° |
| C13 | C16 | C17 | H51 | 119.7° | 119.7° |
| C13 | C16 | C17 | C18 | 13.1° | 16.6° |
| C13 | C16 | C17 | N21 | 167.8° | 163.5° |
| C13 | C16 | H50 | H51 | 120.9° | 120.6° |
| C16 | C13 | C14 | H46 | 53.6° | 50.0° |
| C16 | C13 | C14 | H47 | 173.3° | 169.9° |
| C14 | C15 | C18 | H49 | 119.6° | 119.8° |
| C14 | C15 | C18 | H48 | 119.6° | 119.7° |
| C14 | C15 | C18 | C17 | 19.7° | 16.6° |
| C14 | C15 | C18 | N19 | 160.9° | 163.6° |
| C15 | C14 | C13 | H45 | 54.3° | 49.9° |
| C14 | C15 | H49 | H48 | 121.2° | 120.6° |
| C15 | C14 | H46 | H47 | 119.5° | 119.9° |
| C15 | C18 | C17 | C16 | 1.5° | 0.1° |
| C15 | C18 | C17 | N19 | 179.5° | 179.9° |
| C15 | C18 | C17 | N21 | 179.2° | 179.9° |
| C15 | C18 | N19 | N20 | 179.4° | 179.9° |
| C18 | C15 | H49 | H48 | 121.2° | 120.5° |
| C18 | C15 | C14 | H46 | 70.9° | 70.2° |
| C18 | C15 | C14 | H47 | 169.4° | 169.8° |
| C15 | C18 | N19 | H52 | 0.6° | 0.0° |
| C16 | C17 | C18 | N21 | 179.3° | 180.0° |
| C16 | C17 | C18 | N19 | 178.9° | 179.8° |
| C16 | C17 | N21 | N20 | 178.9° | 179.9° |
| C17 | C16 | C13 | H45 | 76.7° | 70.2° |
| C17 | C16 | H50 | H51 | 121.0° | 120.5° |
| C17 | C18 | N19 | N20 | 0.1° | 0.2° |
| C18 | C17 | N21 | N20 | 0.4° | 0.2° |
| C17 | C18 | C15 | H49 | 139.3° | 103.2° |
| C17 | C18 | C15 | H48 | 99.9° | 136.2° |
| C18 | C17 | C16 | H50 | 132.7° | 136.3° |
| C18 | C17 | C16 | H51 | 106.6° | 103.2° |
| C17 | C18 | N19 | H52 | 179.9° | 179.9° |
| N21 | C17 | C18 | N19 | 0.3° | 0.2° |
| C17 | N21 | N20 | N19 | 0.3° | 0.1° |
| N21 | C17 | C16 | H50 | 48.1° | 43.7° |
| N21 | C17 | C16 | H51 | 72.5° | 76.8° |
| C18 | N19 | N20 | H52 | 180.0° | 180.0° |
| C18 | N19 | N20 | N21 | 0.1° | 0.1° |
| N19 | C18 | C15 | H49 | 41.3° | 76.7° |
| N19 | C18 | C15 | H48 | 79.5° | 43.9° |
| N21 | N20 | N19 | H52 | 179.9° | 180.0° |
| C22 | O23 | C25 | C26 | 176.9° | 180.0° |
| C22 | O23 | C25 | H53 | 63.3° | 60.0° |
| C22 | O23 | C25 | H54 | 57.1° | 60.0° |
| O24 | C22 | O23 | C25 | 0.2° | 0.0° |
| O23 | C25 | C26 | H53 | 119.8° | 120.0° |
| O23 | C25 | C26 | H54 | 119.8° | 120.0° |
| O23 | C25 | C26 | C27 | 126.8° | 90.0° |
| O23 | C25 | C26 | C31 | 55.1° | 90.3° |
| O23 | C25 | H53 | H54 | 120.6° | 120.0° |
| C25 | C26 | C27 | C31 | 178.2° | 179.6° |
| C25 | C26 | C27 | C28 | 177.8° | 179.9° |
| C25 | C26 | C31 | C30 | 177.3° | 179.8° |
| C26 | C25 | H53 | H54 | 120.6° | 120.0° |
| C25 | C26 | C27 | H55 | 2.2° | 0.1° |
| C25 | C26 | C31 | H58 | 2.7° | 0.1° |
| C26 | C27 | C28 | H55 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.3° | 0.0° |
| C27 | C26 | C31 | C30 | 0.8° | 0.6° |
| C27 | C26 | C25 | H53 | 6.9° | 150.0° |
| C27 | C26 | C25 | H54 | 113.4° | 30.0° |
| C26 | C27 | C28 | H56 | 179.7° | 179.9° |
| C27 | C26 | C31 | H58 | 179.2° | 179.7° |
| C31 | C26 | C27 | C28 | 0.5° | 0.3° |
| C26 | C31 | C30 | C29 | 0.5° | 0.6° |
| C26 | C31 | C30 | H58 | 180.0° | 179.7° |
| C31 | C26 | C25 | H53 | 174.9° | 29.6° |
| C31 | C26 | C25 | H54 | 64.8° | 149.7° |
| C31 | C26 | C27 | H55 | 179.5° | 179.7° |
| C26 | C31 | C30 | H57 | 179.5° | 179.7° |
| C27 | C28 | C29 | H56 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.7° | 0.0° |
| C27 | C28 | C29 | O32 | 178.2° | 179.9° |
| C28 | C29 | C30 | O32 | 178.8° | 180.0° |
| C28 | C29 | C30 | C31 | 0.3° | 0.3° |
| C28 | C29 | O32 | C33 | 73.4° | 180.0° |
| C29 | C28 | C27 | H55 | 179.7° | 180.0° |
| C28 | C29 | C30 | H57 | 179.7° | 180.0° |
| C29 | C30 | C31 | H57 | 180.0° | 179.7° |
| C30 | C29 | O32 | C33 | 105.4° | 0.1° |
| C30 | C29 | C28 | H56 | 179.3° | 180.0° |
| C29 | C30 | C31 | H58 | 179.6° | 179.7° |
| O32 | C29 | C30 | C31 | 178.5° | 179.8° |
| C29 | O32 | C33 | F34 | 62.0° | 60.0° |
| C29 | O32 | C33 | F35 | 179.3° | 180.0° |
| C29 | O32 | C33 | F36 | 60.5° | 60.0° |
| O32 | C29 | C28 | H56 | 1.8° | 0.0° |
| O32 | C29 | C30 | H57 | 1.5° | 0.1° |
| O32 | C33 | F34 | F35 | 118.6° | 119.9° |
| O32 | C33 | F34 | F36 | 124.8° | 120.0° |
| O32 | C33 | F35 | F36 | 122.6° | 120.0° |
| F34 | C33 | F35 | F36 | 116.4° | 120.0° |
| H45 | C13 | C16 | H50 | 43.0° | 49.5° |
| H45 | C13 | C16 | H51 | 163.6° | 170.1° |
| H45 | C13 | C14 | H46 | 174.5° | 170.0° |
| H45 | C13 | C14 | H47 | 65.9° | 70.1° |
| H49 | C15 | C14 | H46 | 48.7° | 170.0° |
| H49 | C15 | C14 | H47 | 71.0° | 50.1° |
| H48 | C15 | C14 | H46 | 169.5° | 49.4° |
| H48 | C15 | C14 | H47 | 49.8° | 70.6° |
| H55 | C27 | C28 | H56 | 0.3° | 0.0° |
| H37 | C2 | C5 | H9 | 43.3° | 46.8° |
| H38 | C2 | C5 | H9 | 166.7° | 170.3° |
| H40 | C3 | C4 | H10 | 45.3° | 41.0° |
| H39 | C3 | C4 | H10 | 168.6° | 163.5° |
| H10 | C4 | C5 | H9 | 177.1° | 179.9° |
| H10 | C4 | C8 | H44 | 42.9° | 41.3° |
| H10 | C4 | C8 | H43 | 166.2° | 163.7° |
| H9 | C5 | C6 | H41 | 37.4° | 46.6° |
| H9 | C5 | C6 | H42 | 160.6° | 170.2° |
| H57 | C30 | C31 | H58 | 0.5° | 0.0° |
