7AI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C31 | sing | 1.36Å | 1.35Å | |
| C03 | C18 | sing | 1.53Å | 1.53Å | |
| C03 | C15 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | doub | 1.39Å | 1.35Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | C02 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.38Å | 1.35Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.34Å | Aromatic |
| C17 | N02 | sing | 1.47Å | 1.47Å | |
| C33 | C28 | doub | 1.40Å | 1.36Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.35Å | Aromatic |
| C02 | N02 | sing | 1.47Å | 1.47Å | |
| N02 | C05 | sing | 1.47Å | 1.46Å | |
| C28 | C16 | sing | 1.47Å | 1.37Å | |
| C16 | C06 | sing | 1.56Å | 1.56Å | |
| C16 | C27 | doub | 1.36Å | 1.35Å | |
| C05 | C14 | sing | 1.53Å | 1.53Å | |
| O02 | C14 | sing | 1.43Å | 1.41Å | |
| O02 | C24 | sing | 1.36Å | 1.38Å | |
| C06 | O01 | sing | 1.47Å | 1.42Å | |
| C06 | C08 | sing | 1.56Å | 1.57Å | |
| C25 | C24 | doub | 1.39Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.34Å | Aromatic |
| C13 | C01 | doub | 1.40Å | 1.35Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| C27 | C01 | sing | 1.47Å | 1.36Å | |
| C27 | C04 | sing | 1.53Å | 1.52Å | |
| C26 | C21 | doub | 1.39Å | 1.35Å | Aromatic |
| O01 | C04 | sing | 1.47Å | 1.42Å | |
| C08 | S01 | sing | 1.81Å | 1.77Å | |
| C08 | C07 | sing | 1.55Å | 1.54Å | |
| C01 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.35Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.34Å | Aromatic |
| O05 | S01 | doub | 1.42Å | 1.47Å | |
| C04 | C07 | sing | 1.56Å | 1.50Å | |
| C21 | C22 | sing | 1.39Å | 1.34Å | Aromatic |
| C21 | N01 | sing | 1.40Å | 1.29Å | |
| S01 | N01 | sing | 1.66Å | 1.73Å | |
| S01 | O04 | doub | 1.42Å | 1.47Å | |
| C10 | O03 | sing | 1.36Å | 1.35Å | |
| C10 | C09 | sing | 1.39Å | 1.33Å | Aromatic |
| C12 | C09 | doub | 1.38Å | 1.34Å | Aromatic |
| N01 | C19 | sing | 1.47Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| F03 | C20 | sing | 1.40Å | 1.29Å | |
| C20 | F02 | sing | 1.40Å | 1.29Å | |
| C20 | F01 | sing | 1.40Å | 1.30Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| O03 | H30 | sing | 0.97Å | 0.95Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H37 | sing | 1.08Å | 1.08Å | |
| O06 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C31 | C32 | 121.1° | 119.9° |
| O06 | C31 | C30 | 121.3° | 119.9° |
| C31 | O06 | H38 | 109.5° | 114.0° |
| C18 | C03 | C15 | 109.0° | 109.2° |
| C03 | C18 | C17 | 110.3° | 109.3° |
| C18 | C03 | H10 | 109.6° | 109.5° |
| C18 | C03 | H11 | 109.6° | 109.6° |
| C03 | C18 | H26 | 109.3° | 109.5° |
| C03 | C18 | H27 | 109.2° | 109.5° |
| C03 | C15 | C02 | 111.5° | 109.3° |
| C03 | C15 | H2 | 109.0° | 109.6° |
| C03 | C15 | H3 | 109.0° | 109.5° |
| C15 | C03 | H10 | 109.6° | 109.5° |
| C15 | C03 | H11 | 109.6° | 109.5° |
| C32 | C31 | C30 | 117.5° | 120.2° |
| C31 | C32 | C33 | 120.1° | 120.1° |
| C31 | C32 | H36 | 119.9° | 120.0° |
| C31 | C30 | C29 | 121.4° | 120.1° |
| C31 | C30 | H35 | 119.3° | 119.9° |
| C18 | C17 | N02 | 114.7° | 109.5° |
| C18 | C17 | H4 | 108.2° | 109.5° |
| C18 | C17 | H5 | 108.1° | 109.4° |
| C17 | C18 | H26 | 109.3° | 109.5° |
| C17 | C18 | H27 | 109.3° | 109.5° |
| C15 | C02 | N02 | 112.5° | 109.5° |
| C02 | C15 | H2 | 108.9° | 109.5° |
| C02 | C15 | H3 | 109.0° | 109.5° |
| C15 | C02 | H8 | 108.7° | 109.4° |
| C15 | C02 | H9 | 108.7° | 109.4° |
| C32 | C33 | C28 | 123.0° | 119.9° |
| C33 | C32 | H36 | 120.0° | 119.9° |
| C32 | C33 | H37 | 118.5° | 120.1° |
| C30 | C29 | C28 | 122.6° | 119.9° |
| C30 | C29 | H34 | 118.7° | 120.1° |
| C29 | C30 | H35 | 119.3° | 119.9° |
| C17 | N02 | C02 | 113.2° | 111.2° |
| C17 | N02 | C05 | 111.5° | 111.0° |
| N02 | C17 | H4 | 108.1° | 109.4° |
| N02 | C17 | H5 | 108.2° | 109.5° |
| C33 | C28 | C29 | 115.2° | 119.7° |
| C33 | C28 | C16 | 121.1° | 120.1° |
| C28 | C33 | H37 | 118.5° | 120.0° |
| C29 | C28 | C16 | 123.5° | 120.1° |
| C28 | C29 | H34 | 118.7° | 120.0° |
| C02 | N02 | C05 | 112.7° | 111.0° |
| N02 | C02 | H8 | 108.7° | 109.4° |
| N02 | C02 | H9 | 108.8° | 109.5° |
| N02 | C05 | C14 | 116.1° | 109.5° |
| N02 | C05 | H13 | 107.8° | 109.5° |
| N02 | C05 | H14 | 107.8° | 109.5° |
| C28 | C16 | C06 | 130.6° | 127.0° |
| C28 | C16 | C27 | 127.5° | 127.3° |
| C06 | C16 | C27 | 101.0° | 105.7° |
| C16 | C06 | O01 | 97.5° | 100.5° |
| C16 | C06 | C08 | 111.9° | 104.6° |
| C16 | C06 | H15 | 114.0° | 116.8° |
| C16 | C27 | C01 | 139.5° | 127.0° |
| C16 | C27 | C04 | 100.0° | 106.0° |
| C05 | C14 | O02 | 109.0° | 109.5° |
| C14 | C05 | H13 | 107.8° | 109.4° |
| C14 | C05 | H14 | 107.8° | 109.4° |
| C05 | C14 | H23 | 109.6° | 109.5° |
| C05 | C14 | H24 | 109.6° | 109.5° |
| C14 | O02 | C24 | 122.9° | 117.0° |
| O02 | C14 | H23 | 109.6° | 109.5° |
| O02 | C14 | H24 | 109.6° | 109.5° |
| O02 | C24 | C25 | 125.9° | 120.0° |
| O02 | C24 | C23 | 120.0° | 120.0° |
| O01 | C06 | C08 | 101.0° | 101.1° |
| C06 | O01 | C04 | 94.6° | 97.0° |
| O01 | C06 | H15 | 116.7° | 115.9° |
| C06 | C08 | S01 | 127.3° | 110.9° |
| C06 | C08 | C07 | 98.6° | 102.0° |
| C08 | C06 | H15 | 114.0° | 115.6° |
| C06 | C08 | H18 | 112.2° | 110.9° |
| C24 | C25 | C26 | 122.8° | 120.1° |
| C25 | C24 | C23 | 114.1° | 120.0° |
| C24 | C25 | H32 | 118.6° | 119.9° |
| C25 | C26 | C21 | 122.6° | 120.0° |
| C25 | C26 | H7 | 118.7° | 120.1° |
| C26 | C25 | H32 | 118.6° | 120.0° |
| C24 | C23 | C22 | 122.4° | 120.1° |
| C24 | C23 | H31 | 118.8° | 120.0° |
| C01 | C13 | C11 | 122.0° | 119.9° |
| C13 | C01 | C27 | 123.7° | 120.1° |
| C13 | C01 | C12 | 114.3° | 119.8° |
| C01 | C13 | H1 | 119.0° | 120.0° |
| C13 | C11 | C10 | 121.8° | 120.1° |
| C11 | C13 | H1 | 119.0° | 120.1° |
| C13 | C11 | H20 | 119.1° | 120.0° |
| C01 | C27 | C04 | 120.3° | 127.0° |
| C27 | C01 | C12 | 121.7° | 120.1° |
| C27 | C04 | O01 | 110.3° | 101.4° |
| C27 | C04 | C07 | 96.7° | 105.1° |
| C27 | C04 | H12 | 114.8° | 115.7° |
| C26 | C21 | C22 | 113.6° | 120.0° |
| C26 | C21 | N01 | 129.2° | 120.0° |
| C21 | C26 | H7 | 118.7° | 119.9° |
| O01 | C04 | C07 | 100.7° | 101.1° |
| O01 | C04 | H12 | 116.7° | 116.0° |
| S01 | C08 | C07 | 93.4° | 110.9° |
| C08 | S01 | O05 | 118.6° | 110.5° |
| C08 | S01 | N01 | 109.7° | 104.4° |
| C08 | S01 | O04 | 109.6° | 110.6° |
| S01 | C08 | H18 | 109.6° | 110.8° |
| C08 | C07 | C04 | 101.7° | 101.9° |
| C08 | C07 | H16 | 111.4° | 111.0° |
| C08 | C07 | H17 | 111.4° | 111.0° |
| C07 | C08 | H18 | 112.7° | 111.0° |
| C01 | C12 | C09 | 124.2° | 119.9° |
| C01 | C12 | H21 | 117.9° | 120.0° |
| C11 | C10 | O03 | 123.0° | 119.9° |
| C11 | C10 | C09 | 117.2° | 120.2° |
| C10 | C11 | H20 | 119.1° | 119.9° |
| C23 | C22 | C21 | 124.5° | 119.9° |
| C23 | C22 | H6 | 117.8° | 120.0° |
| C22 | C23 | H31 | 118.8° | 120.0° |
| O05 | S01 | N01 | 101.5° | 104.3° |
| O05 | S01 | O04 | 116.3° | 121.1° |
| C07 | C04 | H12 | 115.1° | 115.6° |
| C04 | C07 | H16 | 111.4° | 110.9° |
| C04 | C07 | H17 | 111.3° | 110.9° |
| C22 | C21 | N01 | 117.2° | 120.0° |
| C21 | C22 | H6 | 117.7° | 120.0° |
| C21 | N01 | S01 | 124.3° | 120.0° |
| C21 | N01 | C19 | 113.9° | 120.0° |
| N01 | S01 | O04 | 98.7° | 104.3° |
| S01 | N01 | C19 | 121.5° | 120.0° |
| O03 | C10 | C09 | 119.8° | 119.9° |
| C10 | O03 | H30 | 109.5° | 114.0° |
| C10 | C09 | C12 | 120.5° | 120.1° |
| C10 | C09 | H19 | 119.8° | 120.0° |
| C12 | C09 | H19 | 119.8° | 119.9° |
| C09 | C12 | H21 | 117.9° | 120.1° |
| N01 | C19 | C20 | 116.6° | 109.5° |
| N01 | C19 | H28 | 107.7° | 109.4° |
| N01 | C19 | H29 | 107.7° | 109.5° |
| C19 | C20 | F03 | 112.9° | 109.4° |
| C19 | C20 | F02 | 113.9° | 109.4° |
| C19 | C20 | F01 | 111.0° | 109.5° |
| C20 | C19 | H28 | 107.7° | 109.5° |
| C20 | C19 | H29 | 107.7° | 109.5° |
| F03 | C20 | F02 | 102.2° | 109.5° |
| F03 | C20 | F01 | 111.0° | 109.5° |
| F02 | C20 | F01 | 105.3° | 109.5° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.6° |
| H13 | C05 | H14 | 109.4° | 109.5° |
| H16 | C07 | H17 | 109.5° | 110.8° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C31 | C32 | C30 | 177.4° | 179.7° |
| O06 | C31 | C32 | C33 | 178.5° | 180.0° |
| O06 | C31 | C30 | C29 | 179.2° | 179.7° |
| O06 | C31 | C30 | H35 | 0.8° | 0.3° |
| O06 | C31 | C32 | H36 | 1.5° | 0.3° |
| C18 | C03 | C15 | H10 | 119.9° | 119.9° |
| C18 | C03 | C15 | H11 | 119.9° | 120.0° |
| C03 | C18 | C17 | H26 | 120.1° | 120.0° |
| C03 | C18 | C17 | H27 | 120.1° | 120.0° |
| C18 | C03 | C15 | C02 | 56.9° | 57.6° |
| C03 | C18 | C17 | N02 | 52.9° | 59.2° |
| C18 | C03 | C15 | H2 | 63.4° | 177.6° |
| C18 | C03 | C15 | H3 | 177.3° | 62.3° |
| C03 | C18 | C17 | H4 | 67.8° | 179.2° |
| C03 | C18 | C17 | H5 | 173.7° | 60.8° |
| C18 | C03 | H10 | H11 | 120.2° | 120.2° |
| C03 | C18 | H26 | H27 | 119.6° | 120.1° |
| C15 | C03 | C18 | C17 | 55.0° | 57.6° |
| C03 | C15 | C02 | H2 | 120.3° | 120.1° |
| C03 | C15 | C02 | H3 | 120.3° | 119.9° |
| C03 | C15 | C02 | N02 | 54.9° | 59.2° |
| C03 | C15 | H2 | H3 | 119.1° | 120.1° |
| C03 | C15 | C02 | H8 | 175.3° | 179.1° |
| C03 | C15 | C02 | H9 | 65.6° | 60.9° |
| C15 | C03 | H10 | H11 | 120.2° | 120.2° |
| C15 | C03 | C18 | H26 | 175.1° | 62.3° |
| C15 | C03 | C18 | H27 | 65.2° | 177.6° |
| C31 | C32 | C33 | H36 | 180.0° | 179.7° |
| C32 | C31 | C30 | C29 | 1.8° | 0.0° |
| C31 | C32 | C33 | C28 | 1.5° | 0.6° |
| C32 | C31 | C30 | H35 | 178.2° | 180.0° |
| C31 | C32 | C33 | H37 | 178.5° | 180.0° |
| C32 | C31 | O06 | H38 | 180.0° | 90.0° |
| C30 | C31 | C32 | C33 | 1.1° | 0.3° |
| C31 | C30 | C29 | H35 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.0° | 0.0° |
| C31 | C30 | C29 | H34 | 180.0° | 179.9° |
| C30 | C31 | C32 | H36 | 178.9° | 180.0° |
| C30 | C31 | O06 | H38 | 2.7° | 89.6° |
| C18 | C17 | N02 | H4 | 120.8° | 120.0° |
| C18 | C17 | N02 | H5 | 120.8° | 120.0° |
| C18 | C17 | N02 | C02 | 50.5° | 61.8° |
| C18 | C17 | N02 | C05 | 178.8° | 174.2° |
| C18 | C17 | H4 | H5 | 117.6° | 120.0° |
| C17 | C18 | C03 | H10 | 174.9° | 62.3° |
| C17 | C18 | C03 | H11 | 65.0° | 177.6° |
| C17 | C18 | H26 | H27 | 119.7° | 120.1° |
| C15 | C02 | N02 | C17 | 50.6° | 61.8° |
| C15 | C02 | N02 | H8 | 120.4° | 120.0° |
| C15 | C02 | N02 | H9 | 120.4° | 120.0° |
| C15 | C02 | N02 | C05 | 178.2° | 174.2° |
| C02 | C15 | H2 | H3 | 119.0° | 120.0° |
| C15 | C02 | H8 | H9 | 118.6° | 119.9° |
| C02 | C15 | C03 | H10 | 176.9° | 62.3° |
| C02 | C15 | C03 | H11 | 63.0° | 177.6° |
| C32 | C33 | C28 | H37 | 180.0° | 179.4° |
| C32 | C33 | C28 | C29 | 3.2° | 0.6° |
| C32 | C33 | C28 | C16 | 178.9° | 179.7° |
| C30 | C29 | C28 | C33 | 2.4° | 0.3° |
| C30 | C29 | C28 | H34 | 180.0° | 179.9° |
| C30 | C29 | C28 | C16 | 178.0° | 180.0° |
| C17 | N02 | C02 | C05 | 127.6° | 124.0° |
| C17 | N02 | C05 | C14 | 72.0° | 76.0° |
| N02 | C17 | H4 | H5 | 117.6° | 120.0° |
| C17 | N02 | C02 | H8 | 171.0° | 178.3° |
| C17 | N02 | C02 | H9 | 69.9° | 58.3° |
| C17 | N02 | C05 | H13 | 167.0° | 164.0° |
| C17 | N02 | C05 | H14 | 48.9° | 44.0° |
| N02 | C17 | C18 | H26 | 173.0° | 60.8° |
| N02 | C17 | C18 | H27 | 67.2° | 179.1° |
| C33 | C28 | C29 | C16 | 175.6° | 179.7° |
| C33 | C28 | C16 | C06 | 119.4° | 64.7° |
| C33 | C28 | C16 | C27 | 73.3° | 114.7° |
| C33 | C28 | C29 | H34 | 177.6° | 179.8° |
| C28 | C33 | C32 | H36 | 178.5° | 179.7° |
| C29 | C28 | C16 | C06 | 65.2° | 115.0° |
| C29 | C28 | C16 | C27 | 102.1° | 65.6° |
| C28 | C29 | C30 | H35 | 180.0° | 180.0° |
| C29 | C28 | C33 | H37 | 176.8° | 180.0° |
| C02 | N02 | C05 | C14 | 159.4° | 159.8° |
| N02 | C02 | C15 | H2 | 65.5° | 179.2° |
| N02 | C02 | C15 | H3 | 175.2° | 60.7° |
| C02 | N02 | C17 | H4 | 70.3° | 178.2° |
| C02 | N02 | C17 | H5 | 171.2° | 58.2° |
| N02 | C02 | H8 | H9 | 118.7° | 120.0° |
| C02 | N02 | C05 | H13 | 38.4° | 39.9° |
| C02 | N02 | C05 | H14 | 79.6° | 80.2° |
| N02 | C05 | C14 | H13 | 121.0° | 120.0° |
| N02 | C05 | C14 | H14 | 121.0° | 120.0° |
| N02 | C05 | C14 | O02 | 65.9° | 65.3° |
| C05 | N02 | C17 | H4 | 58.0° | 54.1° |
| C05 | N02 | C17 | H5 | 60.5° | 65.8° |
| C05 | N02 | C02 | H8 | 61.4° | 54.2° |
| C05 | N02 | C02 | H9 | 57.8° | 65.8° |
| N02 | C05 | H13 | H14 | 117.0° | 120.1° |
| N02 | C05 | C14 | H23 | 174.2° | 174.7° |
| N02 | C05 | C14 | H24 | 54.0° | 54.7° |
| C28 | C16 | C06 | C27 | 169.8° | 179.5° |
| C28 | C16 | C06 | O01 | 111.7° | 147.8° |
| C28 | C16 | C06 | C08 | 143.2° | 107.7° |
| C28 | C16 | C27 | C01 | 36.2° | 0.5° |
| C28 | C16 | C27 | C04 | 138.9° | 179.9° |
| C28 | C16 | C06 | H15 | 12.1° | 21.5° |
| C16 | C28 | C29 | H34 | 2.0° | 0.1° |
| C16 | C28 | C33 | H37 | 1.1° | 0.3° |
| C16 | C06 | O01 | C08 | 114.1° | 107.3° |
| C16 | C06 | O01 | H15 | 121.8° | 126.9° |
| C16 | C06 | C08 | H15 | 131.2° | 129.9° |
| C06 | C16 | C27 | C01 | 153.6° | 180.0° |
| C06 | C16 | C27 | C04 | 31.3° | 0.4° |
| C16 | C06 | O01 | C04 | 54.0° | 50.0° |
| C16 | C06 | C08 | S01 | 169.7° | 172.5° |
| C16 | C06 | C08 | C07 | 68.6° | 69.3° |
| C16 | C06 | C08 | H18 | 50.3° | 48.9° |
| C27 | C16 | C06 | O01 | 58.1° | 31.7° |
| C27 | C16 | C06 | C08 | 47.0° | 72.8° |
| C16 | C27 | C01 | C13 | 56.6° | 65.1° |
| C16 | C27 | C01 | C04 | 174.4° | 179.5° |
| C16 | C27 | C04 | O01 | 2.3° | 32.4° |
| C16 | C27 | C01 | C12 | 129.9° | 115.3° |
| C16 | C27 | C04 | C07 | 101.8° | 72.5° |
| C16 | C27 | C04 | H12 | 136.5° | 158.7° |
| C27 | C16 | C06 | H15 | 178.2° | 158.0° |
| C05 | C14 | O02 | H23 | 119.9° | 120.0° |
| C05 | C14 | O02 | H24 | 119.9° | 120.0° |
| C05 | C14 | O02 | C24 | 167.0° | 180.0° |
| C14 | C05 | H13 | H14 | 117.0° | 119.9° |
| C05 | C14 | H23 | H24 | 120.2° | 120.0° |
| C14 | O02 | C24 | C25 | 172.3° | 0.5° |
| C14 | O02 | C24 | C23 | 8.8° | 180.0° |
| O02 | C14 | C05 | H13 | 55.1° | 54.7° |
| O02 | C14 | C05 | H14 | 173.2° | 174.7° |
| O02 | C14 | H23 | H24 | 120.2° | 120.0° |
| O02 | C24 | C25 | C23 | 179.0° | 179.5° |
| O02 | C24 | C25 | C26 | 179.9° | 179.7° |
| O02 | C24 | C23 | C22 | 179.1° | 180.0° |
| C24 | O02 | C14 | H23 | 47.1° | 60.0° |
| C24 | O02 | C14 | H24 | 73.1° | 60.0° |
| O02 | C24 | C23 | H31 | 0.9° | 0.5° |
| O02 | C24 | C25 | H32 | 0.1° | 0.5° |
| O01 | C06 | C08 | H15 | 126.0° | 126.0° |
| C06 | O01 | C04 | C27 | 38.1° | 50.8° |
| O01 | C06 | C08 | S01 | 66.8° | 83.4° |
| O01 | C06 | C08 | C07 | 34.2° | 34.8° |
| C06 | O01 | C04 | C07 | 63.3° | 57.3° |
| C06 | O01 | C04 | H12 | 171.3° | 176.9° |
| O01 | C06 | C08 | H18 | 153.1° | 153.0° |
| C08 | C06 | O01 | C04 | 60.1° | 57.4° |
| C06 | C08 | S01 | C07 | 103.5° | 112.6° |
| C06 | C08 | S01 | H18 | 140.9° | 123.7° |
| C06 | C08 | C07 | H18 | 118.6° | 118.2° |
| C06 | C08 | S01 | O05 | 87.8° | 73.4° |
| C06 | C08 | C07 | C04 | 3.7° | 0.0° |
| C06 | C08 | S01 | N01 | 28.1° | 175.0° |
| C06 | C08 | S01 | O04 | 135.4° | 63.4° |
| C06 | C08 | C07 | H16 | 115.1° | 118.1° |
| C06 | C08 | C07 | H17 | 122.4° | 118.2° |
| C24 | C25 | C26 | H32 | 180.0° | 179.2° |
| C24 | C25 | C26 | C21 | 0.5° | 0.5° |
| C25 | C24 | C23 | C22 | 0.0° | 0.5° |
| C24 | C25 | C26 | H7 | 179.5° | 179.5° |
| C25 | C24 | C23 | H31 | 179.9° | 180.0° |
| C26 | C25 | C24 | C23 | 0.8° | 0.8° |
| C25 | C26 | C21 | H7 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 0.6° | 0.0° |
| C25 | C26 | C21 | N01 | 178.4° | 179.7° |
| C24 | C23 | C22 | H31 | 180.0° | 179.5° |
| C24 | C23 | C22 | C21 | 1.2° | 0.0° |
| C24 | C23 | C22 | H6 | 178.8° | 179.9° |
| C23 | C24 | C25 | H32 | 179.2° | 180.0° |
| C01 | C13 | C11 | H1 | 180.0° | 179.6° |
| C13 | C01 | C27 | C12 | 173.5° | 179.7° |
| C13 | C01 | C27 | C04 | 117.8° | 115.4° |
| C01 | C13 | C11 | C10 | 1.7° | 0.0° |
| C13 | C01 | C12 | C09 | 3.1° | 0.3° |
| C01 | C13 | C11 | H20 | 178.3° | 180.0° |
| C13 | C01 | C12 | H21 | 176.9° | 179.9° |
| C11 | C13 | C01 | C27 | 177.3° | 180.0° |
| C11 | C13 | C01 | C12 | 3.4° | 0.3° |
| C13 | C11 | C10 | H20 | 180.0° | 180.0° |
| C13 | C11 | C10 | O03 | 179.5° | 180.0° |
| C13 | C11 | C10 | C09 | 0.7° | 0.3° |
| C01 | C27 | C04 | O01 | 174.0° | 148.0° |
| C01 | C27 | C04 | C07 | 81.9° | 107.1° |
| C27 | C01 | C12 | C09 | 177.1° | 179.9° |
| C27 | C01 | C13 | H1 | 2.7° | 0.4° |
| C01 | C27 | C04 | H12 | 39.8° | 21.7° |
| C27 | C01 | C12 | H21 | 2.9° | 0.2° |
| C27 | C04 | O01 | C07 | 101.3° | 108.1° |
| C27 | C04 | O01 | H12 | 133.3° | 126.1° |
| C27 | C04 | C07 | C08 | 71.5° | 70.4° |
| C04 | C27 | C01 | C12 | 55.7° | 64.3° |
| C27 | C04 | C07 | H12 | 121.4° | 128.8° |
| C27 | C04 | C07 | H16 | 169.7° | 47.8° |
| C27 | C04 | C07 | H17 | 47.2° | 171.4° |
| C26 | C21 | C22 | C23 | 1.5° | 0.3° |
| C26 | C21 | C22 | N01 | 178.1° | 179.7° |
| C26 | C21 | N01 | S01 | 95.6° | 116.6° |
| C26 | C21 | N01 | C19 | 78.9° | 63.5° |
| C26 | C21 | C22 | H6 | 178.5° | 179.8° |
| C21 | C26 | C25 | H32 | 179.5° | 179.7° |
| O01 | C04 | C07 | C08 | 40.7° | 34.7° |
| O01 | C04 | C07 | H12 | 126.4° | 126.0° |
| C04 | O01 | C06 | H15 | 175.8° | 176.8° |
| O01 | C04 | C07 | H16 | 78.1° | 152.9° |
| O01 | C04 | C07 | H17 | 159.4° | 83.5° |
| S01 | C08 | C07 | H18 | 112.9° | 123.6° |
| C08 | S01 | O05 | N01 | 120.1° | 111.7° |
| C08 | S01 | O05 | O04 | 134.0° | 131.6° |
| S01 | C08 | C07 | C04 | 132.2° | 118.2° |
| C08 | S01 | N01 | C21 | 92.1° | 95.3° |
| C08 | S01 | N01 | O04 | 114.6° | 116.1° |
| C08 | S01 | N01 | C19 | 82.0° | 84.7° |
| S01 | C08 | C06 | H15 | 59.2° | 42.6° |
| S01 | C08 | C07 | H16 | 13.4° | 123.7° |
| S01 | C08 | C07 | H17 | 109.1° | 0.0° |
| C07 | C08 | S01 | O05 | 168.7° | 174.0° |
| C08 | C07 | C04 | H16 | 118.7° | 118.2° |
| C08 | C07 | C04 | H17 | 118.7° | 118.2° |
| C07 | C08 | S01 | N01 | 75.4° | 62.4° |
| C07 | C08 | S01 | O04 | 31.9° | 49.2° |
| C08 | C07 | C04 | H12 | 167.0° | 160.8° |
| C07 | C08 | C06 | H15 | 160.2° | 160.8° |
| C08 | C07 | H16 | H17 | 123.6° | 123.8° |
| C01 | C12 | C09 | C10 | 0.8° | 0.0° |
| C01 | C12 | C09 | H21 | 180.0° | 179.8° |
| C12 | C01 | C13 | H1 | 176.5° | 179.9° |
| C01 | C12 | C09 | H19 | 179.2° | 180.0° |
| C11 | C10 | O03 | C09 | 179.8° | 179.7° |
| C11 | C10 | C09 | C12 | 1.2° | 0.3° |
| C10 | C11 | C13 | H1 | 178.3° | 179.6° |
| C11 | C10 | C09 | H19 | 178.8° | 179.7° |
| C11 | C10 | O03 | H30 | 180.0° | 90.3° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C23 | C22 | C21 | N01 | 179.5° | 180.0° |
| O05 | S01 | N01 | C21 | 34.1° | 148.6° |
| O05 | S01 | N01 | O04 | 119.2° | 127.9° |
| O05 | S01 | N01 | C19 | 151.8° | 31.3° |
| O05 | S01 | C08 | H18 | 53.2° | 50.3° |
| C04 | C07 | H16 | H17 | 123.6° | 123.7° |
| C04 | C07 | C08 | H18 | 114.9° | 118.2° |
| C22 | C21 | N01 | S01 | 86.7° | 63.7° |
| C22 | C21 | N01 | C19 | 98.8° | 116.3° |
| C22 | C21 | C26 | H7 | 179.4° | 180.0° |
| C21 | C22 | C23 | H31 | 178.8° | 179.5° |
| C21 | N01 | S01 | C19 | 174.1° | 179.9° |
| C21 | N01 | S01 | O04 | 153.3° | 20.8° |
| C21 | N01 | C19 | C20 | 86.7° | 85.0° |
| N01 | C21 | C22 | H6 | 0.5° | 0.0° |
| N01 | C21 | C26 | H7 | 1.5° | 0.2° |
| C21 | N01 | C19 | H28 | 152.3° | 35.0° |
| C21 | N01 | C19 | H29 | 34.3° | 155.0° |
| S01 | N01 | C19 | C20 | 98.6° | 95.0° |
| N01 | S01 | C08 | H18 | 169.0° | 61.3° |
| S01 | N01 | C19 | H28 | 22.4° | 145.0° |
| S01 | N01 | C19 | H29 | 140.3° | 25.1° |
| O04 | S01 | N01 | C19 | 32.6° | 159.2° |
| O04 | S01 | C08 | H18 | 83.6° | 172.9° |
| O03 | C10 | C09 | C12 | 179.0° | 180.0° |
| O03 | C10 | C09 | H19 | 1.0° | 0.0° |
| O03 | C10 | C11 | H20 | 0.5° | 0.1° |
| C10 | C09 | C12 | H19 | 180.0° | 180.0° |
| C09 | C10 | C11 | H20 | 179.3° | 179.7° |
| C10 | C09 | C12 | H21 | 179.2° | 179.8° |
| C09 | C10 | O03 | H30 | 0.2° | 90.0° |
| N01 | C19 | C20 | H28 | 121.0° | 120.0° |
| N01 | C19 | C20 | H29 | 121.1° | 120.0° |
| N01 | C19 | C20 | F03 | 44.9° | 180.0° |
| N01 | C19 | C20 | F02 | 71.1° | 60.0° |
| N01 | C19 | C20 | F01 | 170.3° | 60.0° |
| N01 | C19 | H28 | H29 | 116.8° | 120.0° |
| C19 | C20 | F03 | F02 | 122.8° | 120.0° |
| C19 | C20 | F03 | F01 | 125.4° | 120.0° |
| C19 | C20 | F02 | F01 | 121.9° | 120.0° |
| C20 | C19 | H28 | H29 | 116.8° | 120.1° |
| F03 | C20 | F02 | F01 | 116.0° | 120.1° |
| F03 | C20 | C19 | H28 | 165.9° | 60.0° |
| F03 | C20 | C19 | H29 | 76.1° | 60.0° |
| F02 | C20 | C19 | H28 | 50.0° | 180.0° |
| F02 | C20 | C19 | H29 | 167.9° | 60.0° |
| F01 | C20 | C19 | H28 | 68.7° | 60.0° |
| F01 | C20 | C19 | H29 | 49.2° | 180.0° |
| H1 | C13 | C11 | H20 | 1.7° | 0.4° |
| H2 | C15 | C02 | H8 | 55.0° | 60.8° |
| H2 | C15 | C02 | H9 | 174.1° | 59.1° |
| H2 | C15 | C03 | H10 | 56.6° | 57.7° |
| H2 | C15 | C03 | H11 | 176.7° | 62.4° |
| H3 | C15 | C02 | H8 | 64.3° | 59.2° |
| H3 | C15 | C02 | H9 | 54.7° | 179.2° |
| H3 | C15 | C03 | H10 | 62.8° | 177.8° |
| H3 | C15 | C03 | H11 | 57.3° | 57.6° |
| H4 | C17 | C18 | H26 | 52.3° | 59.2° |
| H4 | C17 | C18 | H27 | 172.1° | 60.9° |
| H5 | C17 | C18 | H26 | 66.2° | 179.2° |
| H5 | C17 | C18 | H27 | 53.6° | 59.1° |
| H6 | C22 | C23 | H31 | 1.2° | 0.5° |
| H7 | C26 | C25 | H32 | 0.5° | 0.3° |
| H10 | C03 | C18 | H26 | 65.0° | 177.8° |
| H10 | C03 | C18 | H27 | 54.8° | 57.7° |
| H11 | C03 | C18 | H26 | 55.1° | 57.6° |
| H11 | C03 | C18 | H27 | 174.9° | 62.5° |
| H12 | C04 | C07 | H16 | 48.3° | 81.1° |
| H12 | C04 | C07 | H17 | 74.2° | 42.6° |
| H13 | C05 | C14 | H23 | 64.8° | 65.3° |
| H13 | C05 | C14 | H24 | 175.0° | 174.7° |
| H14 | C05 | C14 | H23 | 53.3° | 54.7° |
| H14 | C05 | C14 | H24 | 66.9° | 65.4° |
| H15 | C06 | C08 | H18 | 80.9° | 81.0° |
| H16 | C07 | C08 | H18 | 126.3° | 0.1° |
| H17 | C07 | C08 | H18 | 3.8° | 123.6° |
| H19 | C09 | C12 | H21 | 0.8° | 0.2° |
| H34 | C29 | C30 | H35 | 0.0° | 0.1° |
| H36 | C32 | C33 | H37 | 1.5° | 0.3° |
