A1CM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C14 | sing | 1.53Å | 1.56Å | |
| C01 | C31 | sing | 1.53Å | 1.54Å | |
| C02 | C16 | sing | 1.53Å | 1.53Å | |
| C02 | N01 | sing | 1.46Å | 1.48Å | |
| C03 | N02 | sing | 1.35Å | 1.37Å | |
| C03 | O04 | doub | 1.21Å | 1.21Å | |
| C03 | O05 | sing | 1.35Å | 1.37Å | |
| C04 | C18 | sing | 1.54Å | 1.51Å | |
| C04 | O06 | sing | 1.44Å | 1.44Å | |
| C05 | C06 | sing | 1.55Å | 1.53Å | |
| C05 | C18 | sing | 1.54Å | 1.54Å | |
| C05 | C19 | sing | 1.56Å | 1.55Å | |
| C06 | C20 | sing | 1.55Å | 1.52Å | |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C28 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S01 | sing | 1.76Å | 1.81Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | N01 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C30 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | O03 | sing | 1.43Å | 1.43Å | |
| C17 | C21 | sing | 1.53Å | 1.53Å | |
| C17 | N02 | sing | 1.46Å | 1.48Å | |
| C18 | O05 | sing | 1.45Å | 1.46Å | |
| C19 | O06 | sing | 1.44Å | 1.44Å | |
| C19 | O07 | sing | 1.43Å | 1.40Å | |
| C20 | O07 | sing | 1.44Å | 1.45Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | F01 | sing | 1.35Å | 1.35Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | F02 | sing | 1.35Å | 1.35Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | O08 | sing | 1.43Å | 1.43Å | |
| N01 | S01 | sing | 1.66Å | 1.69Å | |
| O01 | S01 | doub | 1.42Å | 1.46Å | |
| O02 | S01 | doub | 1.42Å | 1.46Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H06 | sing | 1.09Å | 1.10Å | |
| C04 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C06 | H09 | sing | 1.09Å | 1.10Å | |
| C06 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| N02 | H40 | sing | 0.97Å | 1.00Å | |
| O03 | H41 | sing | 0.97Å | 0.95Å | |
| O08 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C01 | C31 | 116.3° | 109.5° |
| C01 | C14 | C13 | 106.9° | 109.5° |
| C01 | C14 | C15 | 114.9° | 109.4° |
| C14 | C01 | H01 | 107.8° | 109.5° |
| C14 | C01 | H02 | 107.7° | 109.5° |
| C01 | C14 | H16 | 107.2° | 109.5° |
| C31 | C01 | H01 | 107.7° | 109.4° |
| C31 | C01 | H02 | 107.8° | 109.5° |
| C01 | C31 | H38 | 109.5° | 109.5° |
| C01 | C31 | H39 | 109.5° | 109.5° |
| C01 | C31 | H37 | 109.5° | 109.5° |
| C16 | C02 | N01 | 112.7° | 109.4° |
| C02 | C16 | C17 | 116.9° | 109.4° |
| C02 | C16 | O03 | 105.2° | 109.5° |
| C16 | C02 | H04 | 108.7° | 109.4° |
| C16 | C02 | H03 | 108.7° | 109.5° |
| C02 | C16 | H19 | 107.1° | 109.5° |
| C02 | N01 | C13 | 113.7° | 120.0° |
| C02 | N01 | S01 | 120.2° | 120.0° |
| N01 | C02 | H04 | 108.7° | 109.5° |
| N01 | C02 | H03 | 108.7° | 109.5° |
| N02 | C03 | O04 | 125.5° | 120.0° |
| N02 | C03 | O05 | 110.5° | 120.0° |
| C03 | N02 | C17 | 123.2° | 120.0° |
| C03 | N02 | H40 | 118.4° | 120.0° |
| O04 | C03 | O05 | 123.9° | 120.0° |
| C03 | O05 | C18 | 123.0° | 117.0° |
| C18 | C04 | O06 | 102.5° | 104.8° |
| C04 | C18 | C05 | 100.8° | 104.1° |
| C04 | C18 | O05 | 101.5° | 110.6° |
| C18 | C04 | H06 | 111.2° | 110.4° |
| C18 | C04 | H05 | 111.2° | 110.3° |
| C04 | C18 | H21 | 113.1° | 110.5° |
| C04 | O06 | C19 | 109.8° | 106.1° |
| O06 | C04 | H06 | 111.2° | 110.4° |
| O06 | C04 | H05 | 111.2° | 110.4° |
| C06 | C05 | C18 | 105.4° | 109.1° |
| C06 | C05 | C19 | 108.0° | 102.2° |
| C05 | C06 | C20 | 103.7° | 101.0° |
| C06 | C05 | H07 | 112.6° | 113.2° |
| C05 | C06 | H09 | 110.9° | 111.1° |
| C05 | C06 | H08 | 110.9° | 111.1° |
| C18 | C05 | C19 | 105.7° | 104.4° |
| C05 | C18 | O05 | 113.6° | 110.5° |
| C18 | C05 | H07 | 112.4° | 113.1° |
| C05 | C18 | H21 | 112.6° | 110.5° |
| C05 | C19 | O06 | 103.2° | 104.9° |
| C05 | C19 | O07 | 105.1° | 107.1° |
| C19 | C05 | H07 | 112.2° | 114.0° |
| C05 | C19 | H22 | 108.2° | 111.9° |
| C06 | C20 | O07 | 107.6° | 105.2° |
| C06 | C20 | H24 | 109.9° | 110.4° |
| C06 | C20 | H23 | 110.0° | 110.4° |
| C20 | C06 | H09 | 110.9° | 111.1° |
| C20 | C06 | H08 | 110.9° | 111.2° |
| C08 | C07 | C12 | 118.4° | 120.0° |
| C08 | C07 | C28 | 118.3° | 120.0° |
| C07 | C08 | C09 | 121.4° | 120.0° |
| C07 | C08 | H10 | 119.3° | 120.0° |
| C12 | C07 | C28 | 123.3° | 120.0° |
| C07 | C12 | C11 | 120.9° | 120.0° |
| C07 | C12 | H13 | 119.6° | 120.0° |
| C07 | C28 | C29 | 116.8° | 109.5° |
| C07 | C28 | O08 | 110.7° | 109.5° |
| C07 | C28 | H30 | 106.3° | 109.5° |
| C08 | C09 | C10 | 119.1° | 120.0° |
| C09 | C08 | H10 | 119.3° | 120.0° |
| C08 | C09 | H11 | 120.5° | 120.0° |
| C09 | C10 | C11 | 120.5° | 120.0° |
| C09 | C10 | S01 | 119.9° | 120.0° |
| C10 | C09 | H11 | 120.4° | 120.0° |
| C11 | C10 | S01 | 119.5° | 120.0° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C10 | C11 | H12 | 120.2° | 120.0° |
| C10 | S01 | N01 | 109.4° | 107.2° |
| C10 | S01 | O01 | 106.4° | 106.4° |
| C10 | S01 | O02 | 107.2° | 106.4° |
| C12 | C11 | H12 | 120.2° | 120.0° |
| C11 | C12 | H13 | 119.6° | 120.0° |
| C14 | C13 | N01 | 117.1° | 109.5° |
| C13 | C14 | C15 | 112.7° | 109.5° |
| C14 | C13 | H14 | 107.5° | 109.5° |
| C14 | C13 | H15 | 107.5° | 109.5° |
| C13 | C14 | H16 | 107.4° | 109.5° |
| C13 | N01 | S01 | 113.8° | 119.9° |
| N01 | C13 | H14 | 107.5° | 109.4° |
| N01 | C13 | H15 | 107.5° | 109.5° |
| C14 | C15 | C30 | 113.2° | 109.5° |
| C14 | C15 | H18 | 108.5° | 109.5° |
| C14 | C15 | H17 | 108.5° | 109.5° |
| C15 | C14 | H16 | 107.4° | 109.5° |
| C30 | C15 | H18 | 108.5° | 109.4° |
| C30 | C15 | H17 | 108.5° | 109.5° |
| C15 | C30 | H36 | 109.5° | 109.5° |
| C15 | C30 | H35 | 109.5° | 109.5° |
| C15 | C30 | H34 | 109.4° | 109.5° |
| C17 | C16 | O03 | 112.0° | 109.5° |
| C16 | C17 | C21 | 114.5° | 109.5° |
| C16 | C17 | N02 | 106.7° | 109.5° |
| C16 | C17 | H20 | 109.0° | 109.5° |
| C17 | C16 | H19 | 107.0° | 109.4° |
| O03 | C16 | H19 | 108.3° | 109.5° |
| C16 | O03 | H41 | 109.5° | 114.0° |
| C21 | C17 | N02 | 107.6° | 109.5° |
| C17 | C21 | C22 | 112.8° | 109.4° |
| C21 | C17 | H20 | 109.1° | 109.5° |
| C17 | C21 | H25 | 108.6° | 109.4° |
| C17 | C21 | H26 | 108.7° | 109.5° |
| N02 | C17 | H20 | 109.9° | 109.5° |
| C17 | N02 | H40 | 118.4° | 120.0° |
| O05 | C18 | H21 | 113.9° | 110.6° |
| O06 | C19 | O07 | 119.5° | 108.4° |
| O06 | C19 | H22 | 109.7° | 111.8° |
| C19 | O07 | C20 | 112.8° | 110.2° |
| O07 | C19 | H22 | 110.3° | 112.5° |
| O07 | C20 | H24 | 110.0° | 110.3° |
| O07 | C20 | H23 | 109.9° | 110.3° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C21 | C22 | C27 | 120.1° | 120.0° |
| C22 | C21 | H25 | 108.6° | 109.5° |
| C22 | C21 | H26 | 108.6° | 109.5° |
| C23 | C22 | C27 | 119.4° | 120.0° |
| C22 | C23 | C24 | 118.5° | 120.0° |
| C22 | C23 | H27 | 120.8° | 120.0° |
| C22 | C27 | C26 | 119.3° | 120.0° |
| C22 | C27 | H29 | 120.4° | 120.0° |
| C23 | C24 | C25 | 123.7° | 119.9° |
| C23 | C24 | F01 | 118.8° | 120.0° |
| C24 | C23 | H27 | 120.7° | 119.9° |
| C25 | C24 | F01 | 117.4° | 120.0° |
| C24 | C25 | C26 | 116.1° | 120.0° |
| C24 | C25 | H28 | 121.9° | 120.0° |
| C25 | C26 | C27 | 123.0° | 120.0° |
| C25 | C26 | F02 | 118.6° | 120.1° |
| C26 | C25 | H28 | 122.0° | 120.0° |
| C27 | C26 | F02 | 118.4° | 120.0° |
| C26 | C27 | H29 | 120.4° | 120.0° |
| C29 | C28 | O08 | 108.9° | 109.5° |
| C29 | C28 | H30 | 106.2° | 109.4° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C28 | C29 | H33 | 109.4° | 109.4° |
| C28 | C29 | H32 | 109.5° | 109.4° |
| O08 | C28 | H30 | 107.4° | 109.5° |
| C28 | O08 | H42 | 109.5° | 114.0° |
| N01 | S01 | O01 | 105.6° | 106.4° |
| N01 | S01 | O02 | 107.3° | 106.4° |
| O01 | S01 | O02 | 120.6° | 123.2° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H18 | C15 | H17 | 109.5° | 109.4° |
| H24 | C20 | H23 | 109.5° | 110.2° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H01 | C01 | H02 | 109.5° | 109.5° |
| H04 | C02 | H03 | 109.5° | 109.5° |
| H06 | C04 | H05 | 109.5° | 110.4° |
| H09 | C06 | H08 | 109.5° | 111.0° |
| H31 | C29 | H33 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.4° | 109.5° |
| H33 | C29 | H32 | 109.5° | 109.5° |
| H36 | C30 | H35 | 109.5° | 109.5° |
| H36 | C30 | H34 | 109.4° | 109.5° |
| H35 | C30 | H34 | 109.5° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H37 | 109.5° | 109.4° |
| H39 | C31 | H37 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C01 | C31 | H01 | 121.0° | 120.0° |
| C14 | C01 | C31 | H02 | 121.0° | 120.0° |
| C01 | C14 | C13 | C15 | 127.1° | 120.0° |
| C01 | C14 | C13 | H16 | 114.8° | 120.0° |
| C01 | C14 | C13 | N01 | 165.3° | 61.1° |
| C01 | C14 | C15 | H16 | 119.2° | 120.0° |
| C01 | C14 | C15 | C30 | 45.0° | 179.1° |
| C01 | C14 | C13 | H14 | 44.2° | 58.9° |
| C01 | C14 | C13 | H15 | 73.6° | 178.9° |
| C01 | C14 | C15 | H18 | 165.6° | 60.9° |
| C01 | C14 | C15 | H17 | 75.5° | 59.1° |
| C14 | C01 | H01 | H02 | 116.9° | 120.0° |
| C14 | C01 | C31 | H38 | 180.0° | 66.6° |
| C14 | C01 | C31 | H39 | 60.0° | 173.4° |
| C14 | C01 | C31 | H37 | 60.0° | 53.4° |
| C31 | C01 | C14 | C13 | 89.6° | 81.9° |
| C31 | C01 | C14 | C15 | 36.3° | 158.1° |
| C31 | C01 | H01 | H02 | 116.9° | 120.0° |
| C31 | C01 | C14 | H16 | 155.5° | 38.1° |
| C01 | C31 | H38 | H39 | 120.0° | 120.1° |
| C01 | C31 | H38 | H37 | 120.0° | 120.0° |
| C01 | C31 | H39 | H37 | 120.0° | 120.0° |
| C16 | C02 | N01 | H04 | 120.5° | 120.0° |
| C16 | C02 | N01 | H03 | 120.5° | 120.0° |
| C16 | C02 | N01 | C13 | 114.7° | 85.0° |
| C02 | C16 | C17 | O03 | 121.5° | 120.0° |
| C02 | C16 | C17 | H19 | 119.9° | 120.0° |
| C02 | C16 | O03 | H19 | 114.3° | 120.0° |
| C02 | C16 | C17 | C21 | 81.7° | 65.0° |
| C02 | C16 | C17 | N02 | 159.4° | 175.0° |
| C16 | C02 | N01 | S01 | 105.3° | 95.0° |
| C02 | C16 | C17 | H20 | 40.8° | 55.0° |
| C16 | C02 | H04 | H03 | 118.5° | 120.0° |
| C02 | C16 | O03 | H41 | 180.0° | 60.0° |
| C02 | N01 | S01 | C10 | 80.3° | 82.8° |
| C02 | N01 | C13 | C14 | 70.0° | 97.8° |
| C02 | N01 | C13 | S01 | 142.5° | 180.0° |
| N01 | C02 | C16 | C17 | 52.0° | 175.0° |
| N01 | C02 | C16 | O03 | 177.0° | 65.0° |
| C02 | N01 | S01 | O01 | 165.5° | 163.7° |
| C02 | N01 | S01 | O02 | 35.6° | 30.8° |
| C02 | N01 | C13 | H14 | 51.1° | 22.2° |
| C02 | N01 | C13 | H15 | 168.9° | 142.2° |
| N01 | C02 | H04 | H03 | 118.5° | 120.0° |
| N01 | C02 | C16 | H19 | 67.9° | 55.0° |
| N02 | C03 | O04 | O05 | 176.1° | 179.9° |
| C03 | N02 | C17 | C16 | 111.6° | 155.0° |
| C03 | N02 | C17 | C21 | 125.1° | 85.0° |
| C03 | N02 | C17 | H40 | 180.0° | 179.9° |
| N02 | C03 | O05 | C18 | 166.7° | 180.0° |
| C03 | N02 | C17 | H20 | 6.4° | 35.0° |
| O04 | C03 | N02 | C17 | 1.9° | 0.1° |
| O04 | C03 | O05 | C18 | 9.9° | 0.1° |
| O04 | C03 | N02 | H40 | 178.1° | 180.0° |
| C03 | O05 | C18 | C04 | 148.5° | 91.4° |
| C03 | O05 | C18 | C05 | 104.2° | 153.8° |
| O05 | C03 | N02 | C17 | 178.4° | 180.0° |
| C03 | O05 | C18 | H21 | 26.6° | 31.2° |
| O05 | C03 | N02 | H40 | 1.6° | 0.1° |
| C18 | C04 | O06 | H06 | 118.9° | 118.8° |
| C18 | C04 | O06 | H05 | 118.9° | 118.8° |
| C04 | C18 | C05 | C06 | 142.5° | 111.7° |
| C04 | C18 | C05 | O05 | 107.8° | 118.7° |
| C04 | C18 | C05 | H21 | 120.8° | 118.6° |
| C04 | C18 | C05 | C19 | 28.2° | 3.0° |
| C04 | C18 | O05 | H21 | 121.9° | 122.7° |
| C18 | C04 | O06 | C19 | 40.7° | 40.1° |
| C18 | C04 | H06 | H05 | 123.2° | 122.3° |
| C04 | C18 | C05 | H07 | 94.6° | 121.4° |
| O06 | C04 | C18 | C05 | 40.7° | 25.6° |
| C04 | O06 | C19 | C05 | 21.7° | 38.0° |
| O06 | C04 | C18 | O05 | 76.3° | 93.1° |
| C04 | O06 | C19 | O07 | 137.8° | 152.1° |
| O06 | C04 | H06 | H05 | 123.2° | 122.3° |
| O06 | C04 | C18 | H21 | 161.2° | 144.2° |
| C04 | O06 | C19 | H22 | 93.5° | 83.4° |
| C06 | C05 | C18 | C19 | 114.3° | 108.6° |
| C06 | C05 | C18 | H07 | 122.9° | 126.9° |
| C06 | C05 | C19 | H07 | 124.7° | 122.5° |
| C05 | C06 | C20 | H09 | 119.1° | 117.9° |
| C05 | C06 | C20 | H08 | 119.1° | 117.9° |
| C06 | C05 | C18 | O05 | 34.7° | 7.1° |
| C06 | C05 | C19 | O06 | 117.8° | 93.2° |
| C06 | C05 | C19 | O07 | 8.1° | 21.8° |
| C05 | C06 | C20 | O07 | 11.2° | 36.6° |
| C05 | C06 | C20 | H24 | 108.5° | 155.6° |
| C05 | C06 | C20 | H23 | 130.9° | 82.3° |
| C05 | C06 | H09 | H08 | 122.7° | 124.2° |
| C06 | C05 | C18 | H21 | 96.7° | 129.7° |
| C06 | C05 | C19 | H22 | 126.0° | 145.4° |
| C18 | C05 | C19 | H07 | 122.9° | 123.9° |
| C18 | C05 | C06 | C20 | 110.7° | 144.6° |
| C05 | C18 | O05 | H21 | 130.8° | 122.6° |
| C18 | C05 | C19 | O06 | 5.3° | 20.5° |
| C18 | C05 | C19 | O07 | 120.6° | 135.4° |
| C05 | C18 | C04 | H06 | 78.2° | 93.2° |
| C05 | C18 | C04 | H05 | 159.6° | 144.4° |
| C18 | C05 | C06 | H09 | 8.4° | 97.5° |
| C18 | C05 | C06 | H08 | 130.2° | 26.6° |
| C18 | C05 | C19 | H22 | 121.5° | 100.9° |
| C19 | C05 | C06 | C20 | 2.0° | 34.5° |
| C19 | C05 | C18 | O05 | 79.6° | 115.7° |
| C05 | C19 | O06 | O07 | 116.1° | 114.1° |
| C05 | C19 | O06 | H22 | 115.2° | 121.4° |
| C05 | C19 | O07 | H22 | 116.5° | 123.3° |
| C05 | C19 | O07 | C20 | 16.1° | 1.3° |
| C19 | C05 | C06 | H09 | 121.0° | 152.4° |
| C19 | C05 | C06 | H08 | 117.1° | 83.5° |
| C19 | C05 | C18 | H21 | 149.0° | 121.6° |
| C06 | C20 | O07 | C19 | 17.9° | 24.2° |
| C06 | C20 | O07 | H24 | 119.7° | 119.0° |
| C06 | C20 | O07 | H23 | 119.7° | 119.1° |
| C06 | C20 | H24 | H23 | 120.9° | 122.2° |
| C20 | C06 | C05 | H07 | 126.4° | 88.5° |
| C20 | C06 | H09 | H08 | 122.7° | 124.2° |
| C08 | C07 | C12 | C28 | 180.0° | 179.2° |
| C07 | C08 | C09 | H10 | 180.0° | 179.1° |
| C07 | C08 | C09 | C10 | 0.2° | 0.6° |
| C08 | C07 | C12 | C11 | 0.3° | 0.5° |
| C08 | C07 | C28 | C29 | 110.8° | 95.0° |
| C08 | C07 | C28 | O08 | 123.9° | 145.0° |
| C08 | C07 | C28 | H30 | 7.5° | 25.0° |
| C07 | C08 | C09 | H11 | 179.8° | 179.4° |
| C08 | C07 | C12 | H13 | 179.7° | 180.0° |
| C12 | C07 | C08 | C09 | 0.3° | 0.8° |
| C07 | C12 | C11 | C10 | 0.2° | 0.1° |
| C07 | C12 | C11 | H13 | 180.0° | 179.5° |
| C12 | C07 | C28 | C29 | 69.2° | 85.8° |
| C12 | C07 | C28 | O08 | 56.1° | 34.1° |
| C12 | C07 | C28 | H30 | 172.5° | 154.2° |
| C12 | C07 | C08 | H10 | 179.7° | 179.9° |
| C07 | C12 | C11 | H12 | 179.8° | 180.0° |
| C28 | C07 | C08 | C09 | 179.8° | 180.0° |
| C28 | C07 | C12 | C11 | 179.7° | 179.7° |
| C07 | C28 | C29 | O08 | 126.3° | 120.0° |
| C07 | C28 | C29 | H30 | 118.4° | 120.0° |
| C07 | C28 | O08 | H30 | 115.7° | 120.0° |
| C28 | C07 | C08 | H10 | 0.3° | 0.9° |
| C28 | C07 | C12 | H13 | 0.3° | 0.8° |
| C07 | C28 | C29 | H31 | 180.0° | 60.0° |
| C07 | C28 | C29 | H33 | 60.0° | 180.0° |
| C07 | C28 | C29 | H32 | 60.0° | 60.0° |
| C07 | C28 | O08 | H42 | 180.0° | 180.0° |
| C08 | C09 | C10 | H11 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C08 | C09 | C10 | S01 | 180.0° | 179.7° |
| C09 | C10 | C11 | S01 | 179.9° | 179.7° |
| C09 | C10 | C11 | C12 | 0.1° | 0.4° |
| C09 | C10 | S01 | N01 | 98.1° | 91.0° |
| C09 | C10 | S01 | O01 | 148.3° | 22.6° |
| C09 | C10 | S01 | O02 | 18.0° | 155.5° |
| C10 | C09 | C08 | H10 | 179.8° | 179.7° |
| C09 | C10 | C11 | H12 | 179.8° | 179.7° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | S01 | N01 | 82.0° | 88.7° |
| C11 | C10 | S01 | O01 | 31.6° | 157.8° |
| C11 | C10 | S01 | O02 | 161.9° | 24.9° |
| C11 | C10 | C09 | H11 | 179.9° | 180.0° |
| C10 | C11 | C12 | H13 | 179.8° | 179.4° |
| S01 | C10 | C11 | C12 | 180.0° | 180.0° |
| C10 | S01 | N01 | C13 | 59.6° | 97.2° |
| C10 | S01 | N01 | O01 | 114.2° | 113.5° |
| C10 | S01 | N01 | O02 | 115.9° | 113.5° |
| C10 | S01 | O01 | O02 | 122.2° | 122.9° |
| S01 | C10 | C09 | H11 | 0.0° | 0.4° |
| S01 | C10 | C11 | H12 | 0.1° | 0.1° |
| C14 | C13 | N01 | H14 | 121.1° | 120.0° |
| C14 | C13 | N01 | H15 | 121.1° | 120.0° |
| C13 | C14 | C15 | H16 | 118.1° | 120.0° |
| C13 | C14 | C15 | C30 | 167.8° | 60.9° |
| C14 | C13 | N01 | S01 | 147.5° | 82.2° |
| C14 | C13 | H14 | H15 | 116.5° | 120.0° |
| C13 | C14 | C15 | H18 | 71.7° | 59.1° |
| C13 | C14 | C15 | H17 | 47.2° | 179.1° |
| C13 | C14 | C01 | H01 | 31.4° | 158.1° |
| C13 | C14 | C01 | H02 | 149.4° | 38.1° |
| N01 | C13 | C14 | C15 | 67.6° | 179.0° |
| C13 | N01 | S01 | O01 | 54.6° | 16.3° |
| C13 | N01 | S01 | O02 | 175.5° | 149.3° |
| N01 | C13 | H14 | H15 | 116.5° | 120.0° |
| C13 | N01 | C02 | H04 | 124.8° | 34.9° |
| C13 | N01 | C02 | H03 | 5.7° | 155.0° |
| N01 | C13 | C14 | H16 | 50.5° | 59.0° |
| C14 | C15 | C30 | H18 | 120.6° | 120.0° |
| C14 | C15 | C30 | H17 | 120.6° | 120.0° |
| C15 | C14 | C13 | H14 | 171.3° | 61.1° |
| C15 | C14 | C13 | H15 | 53.6° | 58.9° |
| C14 | C15 | H18 | H17 | 118.3° | 120.0° |
| C15 | C14 | C01 | H01 | 157.3° | 38.2° |
| C15 | C14 | C01 | H02 | 84.7° | 81.9° |
| C14 | C15 | C30 | H36 | 180.0° | 177.0° |
| C14 | C15 | C30 | H35 | 60.0° | 63.0° |
| C14 | C15 | C30 | H34 | 60.0° | 57.0° |
| C30 | C15 | H18 | H17 | 118.3° | 120.0° |
| C30 | C15 | C14 | H16 | 74.2° | 59.1° |
| C15 | C30 | H36 | H35 | 120.0° | 120.0° |
| C15 | C30 | H36 | H34 | 120.0° | 120.0° |
| C15 | C30 | H35 | H34 | 120.0° | 120.0° |
| C17 | C16 | O03 | H19 | 117.8° | 120.0° |
| C16 | C17 | C21 | N02 | 118.4° | 120.0° |
| C16 | C17 | C21 | H20 | 122.4° | 120.0° |
| C16 | C17 | N02 | H20 | 118.0° | 120.0° |
| C16 | C17 | C21 | C22 | 178.3° | 175.0° |
| C16 | C17 | C21 | H25 | 61.2° | 65.0° |
| C16 | C17 | C21 | H26 | 57.8° | 55.1° |
| C17 | C16 | C02 | H04 | 68.5° | 55.0° |
| C17 | C16 | C02 | H03 | 172.5° | 65.0° |
| C16 | C17 | N02 | H40 | 68.4° | 24.9° |
| C17 | C16 | O03 | H41 | 52.0° | 60.0° |
| O03 | C16 | C17 | C21 | 39.8° | 55.0° |
| O03 | C16 | C17 | N02 | 79.1° | 65.0° |
| O03 | C16 | C17 | H20 | 162.3° | 175.0° |
| O03 | C16 | C02 | H04 | 56.5° | 175.0° |
| O03 | C16 | C02 | H03 | 62.6° | 55.0° |
| C21 | C17 | N02 | H20 | 118.7° | 120.0° |
| C17 | C21 | C22 | H25 | 120.5° | 120.0° |
| C17 | C21 | C22 | H26 | 120.5° | 120.0° |
| C17 | C21 | C22 | C23 | 62.6° | 90.0° |
| C17 | C21 | C22 | C27 | 117.3° | 90.3° |
| C17 | C21 | H25 | H26 | 118.5° | 120.0° |
| C21 | C17 | C16 | H19 | 158.4° | 175.0° |
| C21 | C17 | N02 | H40 | 54.9° | 95.0° |
| N02 | C17 | C21 | C22 | 63.3° | 65.0° |
| N02 | C17 | C21 | H25 | 57.2° | 55.0° |
| N02 | C17 | C21 | H26 | 176.2° | 175.0° |
| N02 | C17 | C16 | H19 | 39.5° | 55.1° |
| O05 | C18 | C04 | H06 | 164.8° | 148.1° |
| O05 | C18 | C04 | H05 | 42.6° | 25.8° |
| O05 | C18 | C05 | H07 | 157.6° | 119.9° |
| O06 | C19 | O07 | H22 | 128.5° | 124.1° |
| O06 | C19 | O07 | C20 | 99.0° | 114.0° |
| C19 | O06 | C04 | H06 | 78.2° | 78.7° |
| C19 | O06 | C04 | H05 | 159.6° | 158.9° |
| O06 | C19 | C05 | H07 | 117.5° | 144.3° |
| C19 | O07 | C20 | H24 | 101.8° | 143.2° |
| C19 | O07 | C20 | H23 | 137.6° | 94.8° |
| O07 | C19 | C05 | H07 | 116.5° | 100.7° |
| O07 | C20 | H24 | H23 | 120.9° | 122.0° |
| O07 | C20 | C06 | H09 | 130.2° | 154.6° |
| O07 | C20 | C06 | H08 | 107.9° | 81.3° |
| C20 | O07 | C19 | H22 | 132.5° | 121.9° |
| C21 | C22 | C23 | C27 | 179.9° | 179.7° |
| C21 | C22 | C23 | C24 | 180.0° | 179.9° |
| C21 | C22 | C27 | C26 | 179.9° | 179.9° |
| C22 | C21 | C17 | H20 | 55.9° | 55.0° |
| C22 | C21 | H25 | H26 | 118.4° | 120.0° |
| C21 | C22 | C23 | H27 | 0.0° | 0.1° |
| C21 | C22 | C27 | H29 | 0.0° | 0.0° |
| C22 | C23 | C24 | H27 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | F01 | 180.0° | 179.7° |
| C23 | C22 | C27 | C26 | 0.1° | 0.2° |
| C23 | C22 | C21 | H25 | 176.9° | 29.9° |
| C23 | C22 | C21 | H26 | 57.9° | 150.0° |
| C23 | C22 | C27 | H29 | 179.9° | 179.7° |
| C27 | C22 | C23 | C24 | 0.0° | 0.2° |
| C22 | C27 | C26 | C25 | 0.1° | 0.0° |
| C22 | C27 | C26 | H29 | 180.0° | 179.9° |
| C22 | C27 | C26 | F02 | 179.9° | 180.0° |
| C27 | C22 | C21 | H25 | 3.2° | 149.7° |
| C27 | C22 | C21 | H26 | 122.1° | 29.7° |
| C27 | C22 | C23 | H27 | 180.0° | 179.7° |
| C23 | C24 | C25 | F01 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.0° | 0.3° |
| C23 | C24 | C25 | H28 | 180.0° | 179.7° |
| C24 | C25 | C26 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.3° |
| C24 | C25 | C26 | F02 | 180.0° | 179.8° |
| C25 | C24 | C23 | H27 | 179.9° | 180.0° |
| F01 | C24 | C25 | C26 | 180.0° | 179.9° |
| F01 | C24 | C23 | H27 | 0.0° | 0.3° |
| F01 | C24 | C25 | H28 | 0.0° | 0.0° |
| C25 | C26 | C27 | F02 | 180.0° | 179.9° |
| C25 | C26 | C27 | H29 | 179.9° | 179.9° |
| C27 | C26 | C25 | H28 | 180.0° | 179.7° |
| F02 | C26 | C25 | H28 | 0.0° | 0.3° |
| F02 | C26 | C27 | H29 | 0.1° | 0.1° |
| C29 | C28 | O08 | H30 | 114.6° | 120.0° |
| C28 | C29 | H31 | H33 | 120.0° | 120.0° |
| C28 | C29 | H31 | H32 | 120.0° | 119.9° |
| C28 | C29 | H33 | H32 | 120.0° | 119.9° |
| C29 | C28 | O08 | H42 | 50.3° | 60.0° |
| O08 | C28 | C29 | H31 | 53.8° | 179.9° |
| O08 | C28 | C29 | H33 | 66.3° | 60.0° |
| O08 | C28 | C29 | H32 | 173.7° | 60.0° |
| N01 | S01 | O01 | O02 | 121.7° | 123.0° |
| S01 | N01 | C13 | H14 | 91.4° | 157.8° |
| S01 | N01 | C13 | H15 | 26.4° | 37.8° |
| S01 | N01 | C02 | H04 | 15.1° | 145.0° |
| S01 | N01 | C02 | H03 | 134.2° | 25.0° |
| H14 | C13 | C14 | H16 | 70.6° | 178.9° |
| H15 | C13 | C14 | H16 | 171.6° | 61.1° |
| H18 | C15 | C14 | H16 | 46.4° | 179.1° |
| H18 | C15 | C30 | H36 | 59.4° | 56.9° |
| H18 | C15 | C30 | H35 | 179.4° | 177.0° |
| H18 | C15 | C30 | H34 | 60.6° | 63.1° |
| H17 | C15 | C14 | H16 | 165.3° | 60.9° |
| H17 | C15 | C30 | H36 | 59.5° | 63.0° |
| H17 | C15 | C30 | H35 | 60.6° | 57.0° |
| H17 | C15 | C30 | H34 | 179.4° | 177.0° |
| H20 | C17 | C21 | H25 | 176.4° | 175.0° |
| H20 | C17 | C21 | H26 | 64.6° | 65.0° |
| H20 | C17 | C16 | H19 | 79.1° | 65.0° |
| H20 | C17 | N02 | H40 | 173.6° | 145.0° |
| H24 | C20 | C06 | H09 | 10.5° | 86.5° |
| H24 | C20 | C06 | H08 | 132.4° | 37.6° |
| H23 | C20 | C06 | H09 | 110.1° | 35.6° |
| H23 | C20 | C06 | H08 | 11.8° | 159.7° |
| H30 | C28 | C29 | H31 | 61.6° | 60.0° |
| H30 | C28 | C29 | H33 | 178.4° | 60.0° |
| H30 | C28 | C29 | H32 | 58.3° | 179.9° |
| H30 | C28 | O08 | H42 | 64.3° | 60.0° |
| H01 | C01 | C14 | H16 | 83.5° | 81.8° |
| H01 | C01 | C31 | H38 | 59.0° | 53.4° |
| H01 | C01 | C31 | H39 | 179.0° | 66.7° |
| H01 | C01 | C31 | H37 | 61.0° | 173.4° |
| H02 | C01 | C14 | H16 | 34.5° | 158.2° |
| H02 | C01 | C31 | H38 | 59.0° | 173.4° |
| H02 | C01 | C31 | H39 | 61.0° | 53.3° |
| H02 | C01 | C31 | H37 | 179.0° | 66.6° |
| H04 | C02 | C16 | H19 | 171.6° | 64.9° |
| H03 | C02 | C16 | H19 | 52.6° | 175.0° |
| H06 | C04 | C18 | H21 | 42.3° | 25.4° |
| H05 | C04 | C18 | H21 | 79.9° | 97.0° |
| H07 | C05 | C06 | H09 | 114.5° | 29.4° |
| H07 | C05 | C06 | H08 | 7.4° | 153.5° |
| H07 | C05 | C18 | H21 | 26.2° | 2.8° |
| H07 | C05 | C19 | H22 | 1.3° | 23.0° |
| H10 | C08 | C09 | H11 | 0.2° | 0.3° |
| H12 | C11 | C12 | H13 | 0.3° | 0.5° |
| H19 | C16 | O03 | H41 | 65.8° | 180.0° |
| H31 | C29 | H33 | H32 | 120.0° | 120.1° |
| H36 | C30 | H35 | H34 | 120.0° | 120.0° |
| H38 | C31 | H39 | H37 | 120.0° | 119.9° |
