AS0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.42Å | 1.47Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | sing | 1.41Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | H31A | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.56Å | |
| C4 | O32 | sing | 1.43Å | 1.49Å | |
| C4 | C21 | sing | 1.56Å | 1.59Å | |
| C5 | C6 | sing | 1.54Å | 1.58Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | C21 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.59Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.54Å | 1.56Å | |
| C8 | C18 | sing | 1.54Å | 1.56Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| C9 | C10 | sing | 1.52Å | 1.55Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.50Å | 1.51Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | doub | 1.34Å | 1.36Å | Aromatic |
| C11 | C17 | sing | 1.47Å | 1.50Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.51Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | O14 | doub | 1.23Å | 1.23Å | |
| C13 | C15 | sing | 1.51Å | 1.54Å | Aromatic |
| C15 | C16 | sing | 1.52Å | 1.56Å | Aromatic |
| C15 | H151 | sing | 1.10Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.52Å | 1.52Å | Aromatic |
| C16 | H161 | sing | 1.10Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.36Å | 1.38Å | |
| C18 | C19 | sing | 1.54Å | 1.56Å | |
| C19 | C20 | sing | 1.56Å | 1.58Å | |
| C19 | C23 | sing | 1.53Å | 1.57Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C20 | C21 | sing | 1.54Å | 1.59Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C21 | C22 | sing | 1.55Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | doub | 1.39Å | 1.45Å | Aromatic |
| C23 | C31 | sing | 1.39Å | 1.44Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C30 | sing | 1.39Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.45Å | 1.47Å | |
| C27 | N28 | doub | 1.30Å | 1.31Å | |
| C27 | H27 | sing | 1.11Å | 1.08Å | |
| N28 | O29 | sing | 1.40Å | 1.39Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C30 | C31 | doub | 1.39Å | 1.44Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C31 | H31 | sing | 1.09Å | 1.08Å | |
| O32 | C33 | sing | 1.42Å | 1.49Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H11 | 109.5° | 109.5° |
| O2 | C1 | H12A | 109.5° | 109.5° |
| O2 | C1 | H13 | 109.5° | 109.0° |
| C1 | O2 | C3 | 108.5° | 111.9° |
| H11 | C1 | H12A | 109.4° | 110.1° |
| H11 | C1 | H13 | 109.4° | 109.3° |
| H12A | C1 | H13 | 109.5° | 109.4° |
| O2 | C3 | C4 | 114.8° | 108.3° |
| O2 | C3 | H31A | 107.7° | 109.7° |
| O2 | C3 | H32 | 106.5° | 109.7° |
| C4 | C3 | H31A | 107.7° | 109.5° |
| C4 | C3 | H32 | 106.5° | 109.5° |
| C3 | C4 | C5 | 110.7° | 110.6° |
| C3 | C4 | O32 | 106.6° | 106.5° |
| C3 | C4 | C21 | 116.6° | 115.7° |
| H31A | C3 | H32 | 113.7° | 110.1° |
| C5 | C4 | O32 | 114.1° | 109.9° |
| C5 | C4 | C21 | 102.1° | 103.2° |
| C4 | C5 | C6 | 107.2° | 106.9° |
| C4 | C5 | H51 | 110.2° | 111.7° |
| C4 | C5 | H52 | 110.8° | 111.2° |
| O32 | C4 | C21 | 107.0° | 110.9° |
| C4 | O32 | C33 | 117.9° | 111.3° |
| C4 | C21 | C7 | 107.8° | 100.6° |
| C4 | C21 | C20 | 120.0° | 116.6° |
| C4 | C21 | C22 | 104.0° | 108.9° |
| C6 | C5 | H51 | 110.3° | 110.0° |
| C6 | C5 | H52 | 110.8° | 110.3° |
| C5 | C6 | C7 | 108.1° | 104.7° |
| C5 | C6 | H61 | 109.9° | 111.3° |
| C5 | C6 | H62 | 110.2° | 109.9° |
| H51 | C5 | H52 | 107.7° | 106.8° |
| C7 | C6 | H61 | 109.9° | 112.1° |
| C7 | C6 | H62 | 110.2° | 111.1° |
| C6 | C7 | C21 | 103.4° | 103.4° |
| C6 | C7 | C8 | 125.0° | 118.1° |
| C6 | C7 | H7 | 103.5° | 106.3° |
| H61 | C6 | H62 | 108.5° | 107.7° |
| C21 | C7 | C8 | 110.6° | 113.3° |
| C21 | C7 | H7 | 120.3° | 108.4° |
| C7 | C21 | C20 | 110.0° | 107.2° |
| C7 | C21 | C22 | 110.6° | 113.9° |
| C8 | C7 | H7 | 95.2° | 106.8° |
| C7 | C8 | C9 | 99.4° | 110.1° |
| C7 | C8 | C18 | 114.4° | 110.1° |
| C7 | C8 | H8 | 112.8° | 109.1° |
| C9 | C8 | C18 | 109.0° | 113.5° |
| C9 | C8 | H8 | 117.8° | 107.3° |
| C8 | C9 | C10 | 109.9° | 110.7° |
| C8 | C9 | H91 | 109.3° | 109.8° |
| C8 | C9 | H92 | 109.2° | 110.5° |
| C18 | C8 | H8 | 103.8° | 106.5° |
| C8 | C18 | C17 | 119.9° | 121.1° |
| C8 | C18 | C19 | 116.1° | 116.2° |
| C10 | C9 | H91 | 109.3° | 109.3° |
| C10 | C9 | H92 | 109.2° | 109.6° |
| C9 | C10 | C11 | 111.0° | 109.2° |
| C9 | C10 | H101 | 109.0° | 110.4° |
| C9 | C10 | H102 | 108.6° | 109.2° |
| H91 | C9 | H92 | 109.8° | 106.8° |
| C11 | C10 | H101 | 108.9° | 109.7° |
| C11 | C10 | H102 | 108.6° | 111.5° |
| C10 | C11 | C12 | 119.4° | 120.6° |
| C10 | C11 | C17 | 116.1° | 116.5° |
| H101 | C10 | H102 | 110.7° | 107.0° |
| C12 | C11 | C17 | 124.6° | 123.0° |
| C11 | C12 | C13 | 122.5° | 121.0° |
| C11 | C12 | H12 | 118.8° | 122.0° |
| C11 | C17 | C16 | 117.5° | 112.7° |
| C11 | C17 | C18 | 123.9° | 121.6° |
| C13 | C12 | H12 | 118.7° | 117.0° |
| C12 | C13 | O14 | 121.0° | 120.1° |
| C12 | C13 | C15 | 118.2° | 117.8° |
| O14 | C13 | C15 | 120.8° | 122.0° |
| C13 | C15 | C16 | 117.8° | 110.7° |
| C13 | C15 | H151 | 121.1° | 108.4° |
| C13 | C15 | H152 | 121.4° | 108.5° |
| C16 | C15 | H151 | 121.1° | 111.2° |
| C16 | C15 | H152 | 120.9° | 109.4° |
| C15 | C16 | C17 | 119.2° | 111.5° |
| C15 | C16 | H161 | 120.4° | 109.2° |
| C15 | C16 | H162 | 118.3° | 108.1° |
| H151 | C15 | H152 | 0.3° | 108.6° |
| C17 | C16 | H161 | 120.4° | 108.1° |
| C17 | C16 | H162 | 122.5° | 113.7° |
| C16 | C17 | C18 | 118.5° | 125.6° |
| H161 | C16 | H162 | 2.4° | 105.9° |
| C17 | C18 | C19 | 124.0° | 122.7° |
| C18 | C19 | C20 | 114.4° | 113.8° |
| C18 | C19 | C23 | 112.9° | 115.1° |
| C18 | C19 | H19 | 104.0° | 107.9° |
| C20 | C19 | C23 | 111.5° | 113.6° |
| C20 | C19 | H19 | 105.7° | 102.3° |
| C19 | C20 | C21 | 116.2° | 114.7° |
| C19 | C20 | H201 | 107.3° | 106.7° |
| C19 | C20 | H202 | 105.7° | 110.3° |
| C23 | C19 | H19 | 107.5° | 102.4° |
| C19 | C23 | C24 | 121.9° | 119.8° |
| C19 | C23 | C31 | 119.9° | 119.8° |
| C21 | C20 | H201 | 107.2° | 108.9° |
| C21 | C20 | H202 | 105.7° | 110.0° |
| C20 | C21 | C22 | 104.0° | 109.6° |
| H201 | C20 | H202 | 115.0° | 105.9° |
| C21 | C22 | H221 | 109.5° | 110.6° |
| C21 | C22 | H222 | 109.4° | 110.6° |
| C21 | C22 | H223 | 109.4° | 110.6° |
| H221 | C22 | H222 | 109.5° | 108.3° |
| H221 | C22 | H223 | 109.5° | 108.4° |
| H222 | C22 | H223 | 109.5° | 108.4° |
| C24 | C23 | C31 | 118.2° | 120.5° |
| C23 | C24 | C25 | 120.7° | 119.8° |
| C23 | C24 | H24 | 119.6° | 120.7° |
| C23 | C31 | C30 | 120.6° | 119.8° |
| C23 | C31 | H31 | 119.7° | 120.7° |
| C25 | C24 | H24 | 119.6° | 119.5° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C24 | C25 | H25 | 119.6° | 119.4° |
| C26 | C25 | H25 | 119.6° | 120.6° |
| C25 | C26 | C30 | 120.1° | 120.0° |
| C25 | C26 | C27 | 118.3° | 120.0° |
| C30 | C26 | C27 | 121.6° | 120.0° |
| C26 | C30 | C31 | 119.6° | 120.0° |
| C26 | C30 | H30 | 120.2° | 120.6° |
| C26 | C27 | N28 | 121.6° | 122.9° |
| C26 | C27 | H27 | 119.2° | 117.7° |
| N28 | C27 | H27 | 119.2° | 119.4° |
| C27 | N28 | O29 | 119.0° | 109.3° |
| N28 | O29 | HO29 | 109.5° | 101.6° |
| C31 | C30 | H30 | 120.2° | 119.3° |
| C30 | C31 | H31 | 119.7° | 119.5° |
| O32 | C33 | H331 | 109.5° | 109.5° |
| O32 | C33 | H332 | 109.5° | 109.5° |
| O32 | C33 | H333 | 109.5° | 109.0° |
| H331 | C33 | H332 | 109.5° | 110.1° |
| H331 | C33 | H333 | 109.4° | 109.4° |
| H332 | C33 | H333 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H11 | H12A | 120.0° | 120.5° |
| O2 | C1 | H11 | H13 | 120.0° | 119.4° |
| O2 | C1 | H12A | H13 | 120.0° | 119.4° |
| C1 | O2 | C3 | C4 | 176.8° | 180.0° |
| C1 | O2 | C3 | H31A | 56.8° | 60.6° |
| C1 | O2 | C3 | H32 | 65.6° | 60.5° |
| H11 | C1 | H12A | H13 | 119.9° | 120.2° |
| H11 | C1 | O2 | C3 | 104.0° | 109.6° |
| H12A | C1 | O2 | C3 | 136.0° | 11.2° |
| H13 | C1 | O2 | C3 | 15.9° | 130.8° |
| O2 | C3 | C4 | H31A | 120.0° | 119.5° |
| O2 | C3 | C4 | H32 | 117.6° | 119.7° |
| O2 | C3 | H31A | H32 | 117.8° | 120.8° |
| O2 | C3 | C4 | C5 | 51.4° | 179.5° |
| O2 | C3 | C4 | O32 | 176.0° | 61.1° |
| O2 | C3 | C4 | C21 | 64.6° | 62.7° |
| C4 | C3 | H31A | H32 | 117.8° | 120.5° |
| C3 | C4 | C5 | O32 | 120.2° | 117.3° |
| C3 | C4 | C5 | C21 | 124.7° | 124.3° |
| C3 | C4 | O32 | C21 | 125.4° | 126.7° |
| C3 | C4 | C5 | C6 | 106.0° | 105.3° |
| C3 | C4 | C5 | H51 | 134.0° | 134.4° |
| C3 | C4 | C5 | H52 | 15.0° | 15.2° |
| C3 | C4 | C21 | C7 | 88.1° | 81.4° |
| C3 | C4 | C21 | C20 | 38.9° | 34.1° |
| C3 | C4 | C21 | C22 | 154.5° | 158.7° |
| C3 | C4 | O32 | C33 | 1.9° | 59.8° |
| H31A | C3 | C4 | C5 | 68.5° | 60.0° |
| H31A | C3 | C4 | O32 | 56.0° | 179.3° |
| H31A | C3 | C4 | C21 | 175.4° | 56.8° |
| H32 | C3 | C4 | C5 | 169.1° | 60.8° |
| H32 | C3 | C4 | O32 | 66.4° | 58.5° |
| H32 | C3 | C4 | C21 | 53.0° | 177.7° |
| C5 | C4 | O32 | C21 | 112.2° | 113.5° |
| C4 | C5 | C6 | H51 | 120.0° | 121.4° |
| C4 | C5 | C6 | H52 | 120.9° | 121.0° |
| C4 | C5 | H51 | H52 | 120.9° | 121.8° |
| C4 | C5 | C6 | C7 | 0.6° | 9.2° |
| C4 | C5 | C6 | H61 | 120.7° | 130.5° |
| C4 | C5 | C6 | H62 | 119.9° | 110.2° |
| C5 | C4 | C21 | C7 | 32.7° | 39.5° |
| C5 | C4 | C21 | C20 | 159.6° | 155.0° |
| C5 | C4 | C21 | C22 | 84.8° | 80.4° |
| C5 | C4 | O32 | C33 | 124.4° | 60.0° |
| O32 | C4 | C5 | C6 | 133.8° | 137.4° |
| O32 | C4 | C5 | H51 | 13.8° | 17.1° |
| O32 | C4 | C5 | H52 | 105.2° | 102.1° |
| O32 | C4 | C21 | C7 | 152.8° | 157.2° |
| O32 | C4 | C21 | C20 | 80.2° | 87.3° |
| O32 | C4 | C21 | C22 | 35.4° | 37.2° |
| C4 | O32 | C33 | H331 | 80.3° | 110.2° |
| C4 | O32 | C33 | H332 | 39.7° | 10.7° |
| C4 | O32 | C33 | H333 | 159.7° | 130.2° |
| C21 | C4 | C5 | C6 | 18.8° | 19.1° |
| C21 | C4 | C5 | H51 | 101.2° | 101.3° |
| C21 | C4 | C5 | H52 | 139.7° | 139.5° |
| C4 | C21 | C7 | C6 | 33.3° | 46.1° |
| C4 | C21 | C7 | C20 | 132.6° | 122.3° |
| C4 | C21 | C7 | C22 | 113.1° | 116.3° |
| C4 | C21 | C7 | C8 | 169.4° | 175.2° |
| C4 | C21 | C7 | H7 | 81.4° | 66.4° |
| C4 | C21 | C20 | C19 | 177.5° | 165.8° |
| C4 | C21 | C20 | C22 | 115.6° | 124.2° |
| C4 | C21 | C20 | H201 | 62.6° | 46.4° |
| C4 | C21 | C20 | H202 | 60.6° | 69.2° |
| C4 | C21 | C22 | H221 | 134.2° | 71.1° |
| C4 | C21 | C22 | H222 | 105.8° | 168.9° |
| C4 | C21 | C22 | H223 | 14.2° | 48.9° |
| C21 | C4 | O32 | C33 | 123.4° | 173.5° |
| C6 | C5 | H51 | H52 | 121.0° | 119.7° |
| C5 | C6 | C7 | H61 | 120.0° | 120.8° |
| C5 | C6 | C7 | H62 | 120.5° | 118.6° |
| C5 | C6 | H61 | H62 | 120.6° | 120.6° |
| C5 | C6 | C7 | C21 | 20.6° | 34.6° |
| C5 | C6 | C7 | C8 | 148.0° | 160.7° |
| C5 | C6 | C7 | H7 | 105.6° | 79.4° |
| H51 | C5 | C6 | C7 | 120.6° | 130.7° |
| H51 | C5 | C6 | H61 | 119.4° | 108.1° |
| H51 | C5 | C6 | H62 | 0.1° | 11.3° |
| H52 | C5 | C6 | C7 | 120.3° | 111.8° |
| H52 | C5 | C6 | H61 | 0.3° | 9.5° |
| H52 | C5 | C6 | H62 | 119.2° | 128.8° |
| C7 | C6 | H61 | H62 | 120.5° | 122.5° |
| C6 | C7 | C21 | C8 | 136.0° | 129.1° |
| C6 | C7 | C21 | H7 | 114.7° | 112.5° |
| C6 | C7 | C8 | H7 | 110.5° | 119.6° |
| C6 | C7 | C8 | C9 | 64.3° | 55.0° |
| C6 | C7 | C8 | C18 | 179.6° | 179.1° |
| C6 | C7 | C8 | H8 | 61.3° | 62.5° |
| C6 | C7 | C21 | C20 | 165.9° | 168.4° |
| C6 | C7 | C21 | C22 | 79.8° | 70.2° |
| H61 | C6 | C7 | C21 | 140.6° | 155.4° |
| H61 | C6 | C7 | C8 | 92.0° | 78.5° |
| H61 | C6 | C7 | H7 | 14.4° | 41.4° |
| H62 | C6 | C7 | C21 | 100.0° | 84.0° |
| H62 | C6 | C7 | C8 | 27.5° | 42.1° |
| H62 | C6 | C7 | H7 | 133.9° | 162.0° |
| C21 | C7 | C8 | H7 | 125.0° | 119.3° |
| C21 | C7 | C8 | C9 | 171.2° | 176.1° |
| C21 | C7 | C8 | C18 | 55.2° | 58.0° |
| C21 | C7 | C8 | H8 | 63.1° | 58.6° |
| C7 | C21 | C20 | C19 | 51.5° | 54.1° |
| C7 | C21 | C20 | C22 | 118.5° | 124.1° |
| C7 | C21 | C20 | H201 | 171.5° | 65.3° |
| C7 | C21 | C20 | H202 | 65.4° | 179.1° |
| C7 | C21 | C22 | H221 | 110.3° | 177.5° |
| C7 | C21 | C22 | H222 | 9.7° | 57.6° |
| C7 | C21 | C22 | H223 | 129.7° | 62.4° |
| C7 | C8 | C9 | C18 | 120.1° | 123.9° |
| C7 | C8 | C9 | H8 | 122.1° | 118.7° |
| C7 | C8 | C18 | H8 | 123.3° | 118.2° |
| C7 | C8 | C9 | C10 | 176.8° | 166.7° |
| C7 | C8 | C9 | H91 | 63.3° | 72.5° |
| C7 | C8 | C9 | H92 | 56.9° | 45.1° |
| C7 | C8 | C18 | C17 | 136.7° | 136.2° |
| C7 | C8 | C18 | C19 | 42.1° | 44.7° |
| C8 | C7 | C21 | C20 | 58.0° | 62.5° |
| C8 | C7 | C21 | C22 | 56.3° | 58.9° |
| H7 | C7 | C8 | C9 | 46.2° | 64.6° |
| H7 | C7 | C8 | C18 | 69.9° | 61.2° |
| H7 | C7 | C8 | H8 | 171.8° | 177.8° |
| H7 | C7 | C21 | C20 | 51.2° | 55.9° |
| H7 | C7 | C21 | C22 | 165.5° | 177.3° |
| C9 | C8 | C18 | H8 | 126.4° | 117.9° |
| C8 | C9 | C10 | H91 | 120.0° | 121.2° |
| C8 | C9 | C10 | H92 | 119.8° | 122.1° |
| C8 | C9 | H91 | H92 | 119.8° | 119.8° |
| C8 | C9 | C10 | C11 | 60.8° | 59.8° |
| C8 | C9 | C10 | H101 | 179.2° | 60.8° |
| C8 | C9 | C10 | H102 | 58.6° | 178.1° |
| C9 | C8 | C18 | C17 | 26.4° | 12.3° |
| C9 | C8 | C18 | C19 | 152.4° | 168.6° |
| C18 | C8 | C9 | C10 | 56.7° | 42.7° |
| C18 | C8 | C9 | H91 | 176.7° | 163.6° |
| C18 | C8 | C9 | H92 | 63.1° | 78.9° |
| C8 | C18 | C17 | C11 | 1.6° | 1.0° |
| C8 | C18 | C17 | C16 | 177.6° | 177.1° |
| C8 | C18 | C17 | C19 | 178.7° | 179.0° |
| C8 | C18 | C19 | C20 | 33.2° | 38.3° |
| C8 | C18 | C19 | C23 | 95.7° | 95.4° |
| C8 | C18 | C19 | H19 | 148.0° | 151.0° |
| H8 | C8 | C9 | C10 | 61.2° | 74.7° |
| H8 | C8 | C9 | H91 | 58.8° | 46.2° |
| H8 | C8 | C9 | H92 | 179.0° | 163.7° |
| H8 | C8 | C18 | C17 | 100.0° | 105.5° |
| H8 | C8 | C18 | C19 | 81.2° | 73.5° |
| C10 | C9 | H91 | H92 | 119.8° | 118.5° |
| C9 | C10 | C11 | H101 | 120.0° | 121.0° |
| C9 | C10 | C11 | H102 | 119.3° | 120.7° |
| C9 | C10 | H101 | H102 | 119.3° | 118.7° |
| C9 | C10 | C11 | C12 | 147.3° | 131.8° |
| C9 | C10 | C11 | C17 | 32.1° | 47.7° |
| H91 | C9 | C10 | C11 | 179.3° | 179.1° |
| H91 | C9 | C10 | H101 | 59.3° | 60.3° |
| H91 | C9 | C10 | H102 | 61.4° | 57.0° |
| H92 | C9 | C10 | C11 | 59.1° | 62.4° |
| H92 | C9 | C10 | H101 | 60.9° | 177.0° |
| H92 | C9 | C10 | H102 | 178.4° | 59.7° |
| C11 | C10 | H101 | H102 | 119.4° | 121.0° |
| C10 | C11 | C12 | C17 | 179.3° | 179.5° |
| C10 | C11 | C12 | C13 | 179.2° | 176.8° |
| C10 | C11 | C12 | H12 | 0.7° | 1.0° |
| C10 | C11 | C17 | C16 | 179.8° | 159.1° |
| C10 | C11 | C17 | C18 | 1.0° | 17.5° |
| H101 | C10 | C11 | C12 | 27.3° | 107.2° |
| H101 | C10 | C11 | C17 | 152.1° | 73.3° |
| H102 | C10 | C11 | C12 | 93.4° | 11.1° |
| H102 | C10 | C11 | C17 | 87.2° | 168.4° |
| C11 | C12 | C13 | H12 | 180.0° | 177.9° |
| C11 | C12 | C13 | O14 | 179.2° | 179.3° |
| C11 | C12 | C13 | C15 | 1.1° | 2.4° |
| C12 | C11 | C17 | C16 | 0.9° | 21.4° |
| C12 | C11 | C17 | C18 | 178.3° | 162.0° |
| C17 | C11 | C12 | C13 | 0.1° | 2.7° |
| C17 | C11 | C12 | H12 | 179.9° | 179.5° |
| C11 | C17 | C16 | C15 | 3.0° | 49.7° |
| C11 | C17 | C16 | C18 | 179.2° | 176.4° |
| C11 | C17 | C16 | H161 | 177.0° | 70.4° |
| C11 | C17 | C16 | H162 | 175.7° | 172.3° |
| C11 | C17 | C18 | C19 | 179.7° | 178.0° |
| C12 | C13 | O14 | C15 | 179.7° | 176.7° |
| C12 | C13 | C15 | C16 | 3.2° | 30.7° |
| C12 | C13 | C15 | H151 | 176.8° | 91.6° |
| C12 | C13 | C15 | H152 | 176.9° | 150.7° |
| H12 | C12 | C13 | O14 | 0.9° | 1.3° |
| H12 | C12 | C13 | C15 | 178.9° | 175.5° |
| O14 | C13 | C15 | C16 | 177.1° | 152.6° |
| O14 | C13 | C15 | H151 | 2.9° | 85.1° |
| O14 | C13 | C15 | H152 | 2.8° | 32.6° |
| C13 | C15 | C16 | H151 | 180.0° | 120.6° |
| C13 | C15 | C16 | H152 | 179.9° | 119.5° |
| C13 | C15 | H151 | H152 | 156.0° | 117.7° |
| C13 | C15 | C16 | C17 | 4.2° | 53.8° |
| C13 | C15 | C16 | H161 | 175.9° | 65.6° |
| C13 | C15 | C16 | H162 | 174.6° | 179.6° |
| C16 | C15 | H151 | H152 | 24.0° | 120.4° |
| C15 | C16 | C17 | H161 | 180.0° | 120.1° |
| C15 | C16 | C17 | H162 | 178.7° | 122.6° |
| C15 | C16 | H161 | H162 | 27.8° | 116.2° |
| C15 | C16 | C17 | C18 | 176.2° | 133.9° |
| H151 | C15 | C16 | C17 | 175.8° | 66.8° |
| H151 | C15 | C16 | H161 | 4.2° | 173.8° |
| H151 | C15 | C16 | H162 | 5.4° | 59.0° |
| H152 | C15 | C16 | C17 | 176.0° | 173.3° |
| H152 | C15 | C16 | H161 | 4.0° | 53.9° |
| H152 | C15 | C16 | H162 | 5.3° | 61.0° |
| C17 | C16 | H161 | H162 | 152.2° | 122.3° |
| C16 | C17 | C18 | C19 | 1.1° | 1.9° |
| H161 | C16 | C17 | C18 | 3.8° | 106.0° |
| H162 | C16 | C17 | C18 | 5.1° | 11.3° |
| C17 | C18 | C19 | C20 | 145.6° | 142.7° |
| C17 | C18 | C19 | C23 | 85.5° | 83.6° |
| C17 | C18 | C19 | H19 | 30.7° | 30.0° |
| C18 | C19 | C20 | C23 | 129.6° | 134.4° |
| C18 | C19 | C20 | H19 | 113.9° | 116.1° |
| C18 | C19 | C23 | H19 | 114.2° | 116.8° |
| C18 | C19 | C20 | C21 | 38.3° | 43.6° |
| C18 | C19 | C20 | H201 | 158.2° | 77.1° |
| C18 | C19 | C20 | H202 | 78.6° | 168.4° |
| C18 | C19 | C23 | C24 | 1.2° | 176.7° |
| C18 | C19 | C23 | C31 | 177.6° | 3.2° |
| C20 | C19 | C23 | H19 | 115.4° | 109.5° |
| C19 | C20 | C21 | H201 | 120.0° | 119.5° |
| C19 | C20 | C21 | H202 | 116.9° | 125.0° |
| C19 | C20 | H201 | H202 | 117.2° | 117.5° |
| C19 | C20 | C21 | C22 | 67.0° | 70.0° |
| C20 | C19 | C23 | C24 | 129.2° | 49.5° |
| C20 | C19 | C23 | C31 | 52.0° | 130.6° |
| C23 | C19 | C20 | C21 | 91.3° | 90.8° |
| C23 | C19 | C20 | H201 | 28.6° | 148.5° |
| C23 | C19 | C20 | H202 | 151.8° | 34.0° |
| C19 | C23 | C24 | C31 | 178.8° | 179.9° |
| C19 | C23 | C24 | C25 | 178.2° | 180.0° |
| C19 | C23 | C24 | H24 | 1.8° | 0.1° |
| C19 | C23 | C31 | C30 | 178.1° | 180.0° |
| C19 | C23 | C31 | H31 | 1.9° | 0.1° |
| H19 | C19 | C20 | C21 | 152.1° | 159.7° |
| H19 | C19 | C20 | H201 | 87.9° | 39.0° |
| H19 | C19 | C20 | H202 | 35.2° | 75.5° |
| H19 | C19 | C23 | C24 | 115.4° | 59.9° |
| H19 | C19 | C23 | C31 | 63.4° | 120.0° |
| C21 | C20 | H201 | H202 | 117.2° | 118.2° |
| C20 | C21 | C22 | H221 | 7.8° | 57.4° |
| C20 | C21 | C22 | H222 | 127.8° | 62.5° |
| C20 | C21 | C22 | H223 | 112.2° | 177.5° |
| H201 | C20 | C21 | C22 | 53.0° | 170.6° |
| H202 | C20 | C21 | C22 | 176.1° | 55.0° |
| C21 | C22 | H221 | H222 | 120.0° | 121.3° |
| C21 | C22 | H221 | H223 | 120.0° | 121.3° |
| C21 | C22 | H222 | H223 | 120.0° | 121.3° |
| H221 | C22 | H222 | H223 | 120.0° | 117.4° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | H25 | 179.8° | 180.0° |
| C24 | C23 | C31 | C30 | 0.8° | 0.1° |
| C24 | C23 | C31 | H31 | 179.3° | 180.0° |
| C31 | C23 | C24 | C25 | 0.7° | 0.1° |
| C31 | C23 | C24 | H24 | 179.3° | 180.0° |
| C23 | C31 | C30 | C26 | 0.4° | 0.1° |
| C23 | C31 | C30 | H31 | 180.0° | 179.9° |
| C23 | C31 | C30 | H30 | 179.7° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C30 | 0.3° | 0.0° |
| C24 | C25 | C26 | C27 | 179.7° | 180.0° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.1° |
| C25 | C26 | C30 | C27 | 179.9° | 180.0° |
| C25 | C26 | C27 | N28 | 179.3° | 179.9° |
| C25 | C26 | C27 | H27 | 0.7° | 0.0° |
| C25 | C26 | C30 | C31 | 0.2° | 0.0° |
| C25 | C26 | C30 | H30 | 179.8° | 180.0° |
| H25 | C25 | C26 | C30 | 179.8° | 179.9° |
| H25 | C25 | C26 | C27 | 0.3° | 0.1° |
| C30 | C26 | C27 | N28 | 0.8° | 0.1° |
| C30 | C26 | C27 | H27 | 179.2° | 180.0° |
| C26 | C30 | C31 | H30 | 180.0° | 179.9° |
| C26 | C30 | C31 | H31 | 179.7° | 180.0° |
| C26 | C27 | N28 | H27 | 180.0° | 179.9° |
| C26 | C27 | N28 | O29 | 179.1° | 180.0° |
| C27 | C26 | C30 | C31 | 179.8° | 180.0° |
| C27 | C26 | C30 | H30 | 0.3° | 0.1° |
| C27 | N28 | O29 | HO29 | 91.9° | 179.7° |
| H27 | C27 | N28 | O29 | 0.9° | 0.0° |
| H30 | C30 | C31 | H31 | 0.3° | 0.1° |
| O32 | C33 | H331 | H332 | 120.0° | 120.5° |
| O32 | C33 | H331 | H333 | 120.0° | 119.3° |
| O32 | C33 | H332 | H333 | 120.0° | 119.3° |
| H331 | C33 | H332 | H333 | 120.0° | 120.2° |
