A1CM5
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 | 1.53Å | |
| C02 | C16 | sing | 1.53Å | 1.53Å | |
| C02 | N01 | sing | 1.46Å | 1.47Å | |
| C03 | N02 | sing | 1.35Å | 1.35Å | |
| C03 | O04 | doub | 1.21Å | 1.20Å | |
| C03 | O05 | sing | 1.35Å | 1.35Å | |
| C04 | C18 | sing | 1.54Å | 1.52Å | |
| C04 | O06 | sing | 1.44Å | 1.42Å | |
| C05 | C06 | sing | 1.55Å | 1.55Å | |
| C05 | C18 | sing | 1.54Å | 1.54Å | |
| C05 | C19 | sing | 1.55Å | 1.54Å | |
| C06 | C20 | sing | 1.55Å | 1.53Å | |
| C07 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C07 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C28 | sing | 1.51Å | 1.55Å | |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S01 | sing | 1.76Å | 1.80Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | N01 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C30 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O03 | sing | 1.43Å | 1.40Å | |
| C17 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | N02 | sing | 1.46Å | 1.46Å | |
| C18 | O05 | sing | 1.45Å | 1.44Å | |
| C19 | O06 | sing | 1.44Å | 1.44Å | |
| C19 | O07 | sing | 1.43Å | 1.40Å | |
| C20 | O07 | sing | 1.44Å | 1.44Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | F01 | sing | 1.35Å | 1.35Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | 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 | 1.41Å | |
| N01 | S01 | sing | 1.66Å | 1.67Å | |
| O01 | S01 | doub | 1.42Å | 1.46Å | |
| O02 | S01 | doub | 1.42Å | 1.48Å | |
| 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 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | 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 | H08 | sing | 1.09Å | 1.10Å | |
| C06 | H09 | 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 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | 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 | 115.1° | 109.5° |
| C01 | C14 | C13 | 109.9° | 109.4° |
| C01 | C14 | C15 | 114.7° | 109.5° |
| C14 | C01 | H02 | 108.1° | 109.5° |
| C14 | C01 | H01 | 108.0° | 109.5° |
| C01 | C14 | H16 | 106.6° | 109.5° |
| C31 | C01 | H02 | 108.0° | 109.5° |
| C31 | C01 | H01 | 108.1° | 109.5° |
| C01 | C31 | H37 | 109.5° | 109.4° |
| C01 | C31 | H39 | 109.5° | 109.5° |
| C01 | C31 | H38 | 109.4° | 109.4° |
| C16 | C02 | N01 | 110.1° | 109.4° |
| C02 | C16 | C17 | 111.2° | 109.4° |
| C02 | C16 | O03 | 106.6° | 109.5° |
| C16 | C02 | H03 | 109.3° | 109.4° |
| C16 | C02 | H04 | 109.3° | 109.4° |
| C02 | C16 | H19 | 107.8° | 109.5° |
| C02 | N01 | C13 | 118.9° | 120.0° |
| C02 | N01 | S01 | 116.2° | 120.0° |
| N01 | C02 | H03 | 109.3° | 109.5° |
| N01 | C02 | H04 | 109.3° | 109.5° |
| N02 | C03 | O04 | 128.2° | 120.0° |
| N02 | C03 | O05 | 106.6° | 120.0° |
| C03 | N02 | C17 | 123.6° | 120.0° |
| C03 | N02 | H40 | 118.2° | 119.9° |
| O04 | C03 | O05 | 125.2° | 120.0° |
| C03 | O05 | C18 | 116.5° | 117.0° |
| C18 | C04 | O06 | 103.3° | 104.8° |
| C04 | C18 | C05 | 104.3° | 104.1° |
| C04 | C18 | O05 | 101.9° | 110.5° |
| C18 | C04 | H06 | 111.0° | 110.4° |
| C18 | C04 | H05 | 111.0° | 110.4° |
| C04 | C18 | H21 | 112.1° | 110.5° |
| C04 | O06 | C19 | 110.5° | 106.0° |
| O06 | C04 | H06 | 111.0° | 110.4° |
| O06 | C04 | H05 | 111.0° | 110.3° |
| C06 | C05 | C18 | 122.3° | 109.1° |
| C06 | C05 | C19 | 101.3° | 102.2° |
| C05 | C06 | C20 | 102.7° | 101.0° |
| C06 | C05 | H07 | 109.7° | 113.1° |
| C05 | C06 | H08 | 111.1° | 111.1° |
| C05 | C06 | H09 | 111.2° | 111.1° |
| C18 | C05 | C19 | 102.9° | 104.4° |
| C05 | C18 | O05 | 112.4° | 110.5° |
| C18 | C05 | H07 | 109.9° | 113.1° |
| C05 | C18 | H21 | 111.8° | 110.5° |
| C05 | C19 | O06 | 106.6° | 104.9° |
| C05 | C19 | O07 | 108.4° | 107.2° |
| C19 | C05 | H07 | 109.8° | 114.1° |
| C05 | C19 | H22 | 108.5° | 111.8° |
| C06 | C20 | O07 | 102.3° | 105.2° |
| C06 | C20 | H24 | 111.2° | 110.3° |
| C06 | C20 | H23 | 111.2° | 110.4° |
| C20 | C06 | H08 | 111.1° | 111.1° |
| C20 | C06 | H09 | 111.1° | 111.2° |
| C08 | C07 | C12 | 118.2° | 120.0° |
| C08 | C07 | C28 | 114.5° | 120.0° |
| C07 | C08 | C09 | 121.9° | 120.0° |
| C07 | C08 | H10 | 119.1° | 120.0° |
| C12 | C07 | C28 | 127.3° | 120.0° |
| C07 | C12 | C11 | 120.7° | 120.0° |
| C07 | C12 | H13 | 119.6° | 120.1° |
| C07 | C28 | C29 | 115.2° | 109.5° |
| C07 | C28 | O08 | 103.6° | 109.5° |
| C07 | C28 | H30 | 105.5° | 109.5° |
| C08 | C09 | C10 | 118.0° | 120.0° |
| C09 | C08 | H10 | 119.1° | 120.0° |
| C08 | C09 | H11 | 121.0° | 120.0° |
| C09 | C10 | C11 | 122.2° | 120.0° |
| C09 | C10 | S01 | 122.1° | 120.0° |
| C10 | C09 | H11 | 121.0° | 120.0° |
| C11 | C10 | S01 | 115.7° | 120.0° |
| C10 | C11 | C12 | 119.0° | 120.0° |
| C10 | C11 | H12 | 120.5° | 120.0° |
| C10 | S01 | N01 | 103.0° | 107.2° |
| C10 | S01 | O01 | 106.4° | 106.4° |
| C10 | S01 | O02 | 105.5° | 106.4° |
| C12 | C11 | H12 | 120.5° | 120.0° |
| C11 | C12 | H13 | 119.6° | 120.0° |
| C14 | C13 | N01 | 116.2° | 109.5° |
| C13 | C14 | C15 | 111.7° | 109.4° |
| C14 | C13 | H14 | 107.8° | 109.5° |
| C14 | C13 | H15 | 107.8° | 109.5° |
| C13 | C14 | H16 | 106.7° | 109.5° |
| C13 | N01 | S01 | 117.5° | 120.0° |
| N01 | C13 | H14 | 107.7° | 109.5° |
| N01 | C13 | H15 | 107.7° | 109.4° |
| C14 | C15 | C30 | 113.9° | 109.5° |
| C14 | C15 | H18 | 108.3° | 109.5° |
| C14 | C15 | H17 | 108.3° | 109.4° |
| C15 | C14 | H16 | 106.8° | 109.5° |
| C30 | C15 | H18 | 108.3° | 109.5° |
| C30 | C15 | H17 | 108.3° | 109.5° |
| C15 | C30 | H35 | 109.5° | 109.4° |
| C15 | C30 | H36 | 109.5° | 109.5° |
| C15 | C30 | H34 | 109.5° | 109.5° |
| C17 | C16 | O03 | 113.8° | 109.5° |
| C16 | C17 | C21 | 112.6° | 109.5° |
| C16 | C17 | N02 | 108.2° | 109.4° |
| C16 | C17 | H20 | 109.2° | 109.4° |
| C17 | C16 | H19 | 107.8° | 109.5° |
| O03 | C16 | H19 | 109.5° | 109.5° |
| C16 | O03 | H41 | 109.5° | 114.0° |
| C21 | C17 | N02 | 107.5° | 109.5° |
| C17 | C21 | C22 | 113.1° | 109.4° |
| C21 | C17 | H20 | 109.2° | 109.5° |
| C17 | C21 | H26 | 108.6° | 109.5° |
| C17 | C21 | H25 | 108.5° | 109.5° |
| N02 | C17 | H20 | 110.2° | 109.5° |
| C17 | N02 | H40 | 118.2° | 120.1° |
| O05 | C18 | H21 | 113.5° | 110.5° |
| O06 | C19 | O07 | 112.9° | 108.4° |
| O06 | C19 | H22 | 109.8° | 111.8° |
| C19 | O07 | C20 | 109.9° | 110.2° |
| O07 | C19 | H22 | 110.4° | 112.4° |
| O07 | C20 | H24 | 111.2° | 110.3° |
| O07 | C20 | H23 | 111.2° | 110.3° |
| C21 | C22 | C23 | 120.6° | 120.0° |
| C21 | C22 | C27 | 120.7° | 120.0° |
| C22 | C21 | H26 | 108.5° | 109.5° |
| C22 | C21 | H25 | 108.6° | 109.5° |
| C23 | C22 | C27 | 118.7° | 120.1° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C22 | C23 | H27 | 120.2° | 120.0° |
| C22 | C27 | C26 | 119.5° | 120.0° |
| C22 | C27 | H29 | 120.3° | 120.0° |
| C23 | C24 | C25 | 122.4° | 120.0° |
| C23 | C24 | F01 | 120.1° | 120.1° |
| C24 | C23 | H27 | 120.2° | 120.0° |
| C25 | C24 | F01 | 117.5° | 120.0° |
| C24 | C25 | C26 | 116.9° | 120.0° |
| C24 | C25 | H28 | 121.6° | 120.0° |
| C25 | C26 | C27 | 122.8° | 120.0° |
| C25 | C26 | F02 | 119.1° | 120.0° |
| C26 | C25 | H28 | 121.6° | 120.0° |
| C27 | C26 | F02 | 118.2° | 120.0° |
| C26 | C27 | H29 | 120.2° | 120.0° |
| C29 | C28 | O08 | 118.9° | 109.5° |
| C29 | C28 | H30 | 105.7° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C28 | C29 | H33 | 109.5° | 109.5° |
| C28 | C29 | H32 | 109.4° | 109.4° |
| O08 | C28 | H30 | 107.0° | 109.4° |
| C28 | O08 | H42 | 109.5° | 114.0° |
| N01 | S01 | O01 | 108.3° | 106.4° |
| N01 | S01 | O02 | 106.9° | 106.4° |
| O01 | S01 | O02 | 124.7° | 123.2° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H18 | C15 | H17 | 109.5° | 109.4° |
| H24 | C20 | H23 | 109.5° | 110.3° |
| H26 | C21 | H25 | 109.5° | 109.5° |
| H02 | C01 | H01 | 109.5° | 109.4° |
| H03 | C02 | H04 | 109.5° | 109.5° |
| H06 | C04 | H05 | 109.5° | 110.4° |
| H08 | C06 | H09 | 109.5° | 111.0° |
| H31 | C29 | H33 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.4° |
| H33 | C29 | H32 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H35 | C30 | H34 | 109.5° | 109.4° |
| H36 | C30 | H34 | 109.4° | 109.5° |
| H37 | C31 | H39 | 109.5° | 109.4° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H39 | C31 | H38 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C01 | C31 | H02 | 120.8° | 120.0° |
| C14 | C01 | C31 | H01 | 120.8° | 120.1° |
| C01 | C14 | C13 | C15 | 128.5° | 120.0° |
| C01 | C14 | C13 | H16 | 115.2° | 120.1° |
| C01 | C14 | C13 | N01 | 168.7° | 61.1° |
| C01 | C14 | C15 | H16 | 117.8° | 120.1° |
| C01 | C14 | C15 | C30 | 51.6° | 179.1° |
| C01 | C14 | C13 | H14 | 47.8° | 58.9° |
| C01 | C14 | C13 | H15 | 70.3° | 178.9° |
| C01 | C14 | C15 | H18 | 172.3° | 60.9° |
| C01 | C14 | C15 | H17 | 69.0° | 59.1° |
| C14 | C01 | H02 | H01 | 117.4° | 120.0° |
| C14 | C01 | C31 | H37 | 180.0° | 66.6° |
| C14 | C01 | C31 | H39 | 60.0° | 173.4° |
| C14 | C01 | C31 | H38 | 60.0° | 53.3° |
| C31 | C01 | C14 | C13 | 82.7° | 81.9° |
| C31 | C01 | C14 | C15 | 44.1° | 158.2° |
| C31 | C01 | H02 | H01 | 117.5° | 120.0° |
| C31 | C01 | C14 | H16 | 162.0° | 38.1° |
| C01 | C31 | H37 | H39 | 120.0° | 119.9° |
| C01 | C31 | H37 | H38 | 120.0° | 120.0° |
| C01 | C31 | H39 | H38 | 120.0° | 120.0° |
| C16 | C02 | N01 | H03 | 120.1° | 120.0° |
| C16 | C02 | N01 | H04 | 120.1° | 119.9° |
| C16 | C02 | N01 | C13 | 101.2° | 85.1° |
| C02 | C16 | C17 | O03 | 120.4° | 120.0° |
| C02 | C16 | C17 | H19 | 117.9° | 120.0° |
| C02 | C16 | O03 | H19 | 116.3° | 120.0° |
| C02 | C16 | C17 | C21 | 75.2° | 65.0° |
| C02 | C16 | C17 | N02 | 166.2° | 175.0° |
| C16 | C02 | N01 | S01 | 109.6° | 95.0° |
| C02 | C16 | C17 | H20 | 46.2° | 55.0° |
| C16 | C02 | H03 | H04 | 119.7° | 120.0° |
| C02 | C16 | O03 | H41 | 180.0° | 60.0° |
| C02 | N01 | S01 | C10 | 91.9° | 82.8° |
| C02 | N01 | C13 | C14 | 77.2° | 97.8° |
| C02 | N01 | C13 | S01 | 148.9° | 179.9° |
| N01 | C02 | C16 | C17 | 68.1° | 175.0° |
| N01 | C02 | C16 | O03 | 167.3° | 65.0° |
| C02 | N01 | S01 | O01 | 155.7° | 163.7° |
| C02 | N01 | S01 | O02 | 19.0° | 30.8° |
| C02 | N01 | C13 | H14 | 43.8° | 22.3° |
| C02 | N01 | C13 | H15 | 161.8° | 142.2° |
| N01 | C02 | H03 | H04 | 119.7° | 120.1° |
| N01 | C02 | C16 | H19 | 49.8° | 55.0° |
| N02 | C03 | O04 | O05 | 179.9° | 179.9° |
| C03 | N02 | C17 | C16 | 115.2° | 155.0° |
| C03 | N02 | C17 | C21 | 123.0° | 85.0° |
| C03 | N02 | C17 | H40 | 180.0° | 179.9° |
| N02 | C03 | O05 | C18 | 165.4° | 179.9° |
| C03 | N02 | C17 | H20 | 4.2° | 35.1° |
| O04 | C03 | N02 | C17 | 3.9° | 0.1° |
| O04 | C03 | O05 | C18 | 14.5° | 0.0° |
| O04 | C03 | N02 | H40 | 176.1° | 180.0° |
| C03 | O05 | C18 | C04 | 154.2° | 91.4° |
| C03 | O05 | C18 | C05 | 94.7° | 153.8° |
| O05 | C03 | N02 | C17 | 176.2° | 180.0° |
| C03 | O05 | C18 | H21 | 33.4° | 31.2° |
| O05 | C03 | N02 | H40 | 3.8° | 0.1° |
| C18 | C04 | O06 | H06 | 119.0° | 118.8° |
| C18 | C04 | O06 | H05 | 119.0° | 118.8° |
| C04 | C18 | C05 | C06 | 137.4° | 111.7° |
| C04 | C18 | C05 | O05 | 109.6° | 118.7° |
| C04 | C18 | C05 | H21 | 121.4° | 118.7° |
| C04 | C18 | C05 | C19 | 24.9° | 3.0° |
| C04 | C18 | O05 | H21 | 120.8° | 122.6° |
| C18 | C04 | O06 | C19 | 32.5° | 40.1° |
| C18 | C04 | H06 | H05 | 122.9° | 122.4° |
| C04 | C18 | C05 | H07 | 92.0° | 121.5° |
| O06 | C04 | C18 | C05 | 35.1° | 25.6° |
| C04 | O06 | C19 | C05 | 16.6° | 37.9° |
| O06 | C04 | C18 | O05 | 82.0° | 93.1° |
| C04 | O06 | C19 | O07 | 135.6° | 152.2° |
| O06 | C04 | H06 | H05 | 122.8° | 122.3° |
| O06 | C04 | C18 | H21 | 156.3° | 144.3° |
| C04 | O06 | C19 | H22 | 100.7° | 83.4° |
| C06 | C05 | C18 | C19 | 112.5° | 108.6° |
| C06 | C05 | C18 | H07 | 130.6° | 126.8° |
| C06 | C05 | C19 | H07 | 115.9° | 122.5° |
| C05 | C06 | C20 | H08 | 118.9° | 117.9° |
| C05 | C06 | C20 | H09 | 118.9° | 117.9° |
| C06 | C05 | C18 | O05 | 27.8° | 7.0° |
| C06 | C05 | C19 | O06 | 133.4° | 93.2° |
| C06 | C05 | C19 | O07 | 11.6° | 21.8° |
| C05 | C06 | C20 | O07 | 39.0° | 36.6° |
| C05 | C06 | C20 | H24 | 79.8° | 155.5° |
| C05 | C06 | C20 | H23 | 157.9° | 82.3° |
| C05 | C06 | H08 | H09 | 123.2° | 124.1° |
| C06 | C05 | C18 | H21 | 101.2° | 129.7° |
| C06 | C05 | C19 | H22 | 108.3° | 145.4° |
| C18 | C05 | C19 | H07 | 116.9° | 123.9° |
| C18 | C05 | C06 | C20 | 82.8° | 144.6° |
| C05 | C18 | O05 | H21 | 128.1° | 122.7° |
| C18 | C05 | C19 | O06 | 6.3° | 20.4° |
| C18 | C05 | C19 | O07 | 115.6° | 135.5° |
| C05 | C18 | C04 | H06 | 83.9° | 93.2° |
| C05 | C18 | C04 | H05 | 154.1° | 144.4° |
| C18 | C05 | C06 | H08 | 36.1° | 97.4° |
| C18 | C05 | C06 | H09 | 158.3° | 26.7° |
| C18 | C05 | C19 | H22 | 124.5° | 100.9° |
| C19 | C05 | C06 | C20 | 30.5° | 34.5° |
| C19 | C05 | C18 | O05 | 84.7° | 115.6° |
| C05 | C19 | O06 | O07 | 119.0° | 114.2° |
| C05 | C19 | O06 | H22 | 117.3° | 121.3° |
| C05 | C19 | O07 | H22 | 118.7° | 123.2° |
| C05 | C19 | O07 | C20 | 13.6° | 1.3° |
| C19 | C05 | C06 | H08 | 149.4° | 152.4° |
| C19 | C05 | C06 | H09 | 88.4° | 83.4° |
| C19 | C05 | C18 | H21 | 146.3° | 121.7° |
| C06 | C20 | O07 | C19 | 33.3° | 24.2° |
| C06 | C20 | O07 | H24 | 118.8° | 118.9° |
| C06 | C20 | O07 | H23 | 118.8° | 119.1° |
| C06 | C20 | H24 | H23 | 123.3° | 122.2° |
| C20 | C06 | C05 | H07 | 146.5° | 88.6° |
| C20 | C06 | H08 | H09 | 123.1° | 124.3° |
| C08 | C07 | C12 | C28 | 178.6° | 179.1° |
| C07 | C08 | C09 | H10 | 180.0° | 179.1° |
| C07 | C08 | C09 | C10 | 0.4° | 0.6° |
| C08 | C07 | C12 | C11 | 1.5° | 0.6° |
| C08 | C07 | C28 | C29 | 45.5° | 100.0° |
| C08 | C07 | C28 | O08 | 86.1° | 140.0° |
| C08 | C07 | C28 | H30 | 161.6° | 20.1° |
| C07 | C08 | C09 | H11 | 179.6° | 179.4° |
| C08 | C07 | C12 | H13 | 178.5° | 180.0° |
| C12 | C07 | C08 | C09 | 1.5° | 0.9° |
| C07 | C12 | C11 | C10 | 0.5° | 0.0° |
| C07 | C12 | C11 | H13 | 180.0° | 179.4° |
| C12 | C07 | C28 | C29 | 135.9° | 79.1° |
| C12 | C07 | C28 | O08 | 92.6° | 40.9° |
| C12 | C07 | C28 | H30 | 19.7° | 160.9° |
| C12 | C07 | C08 | H10 | 178.6° | 180.0° |
| C07 | C12 | C11 | H12 | 179.5° | 179.9° |
| C28 | C07 | C08 | C09 | 179.8° | 180.0° |
| C28 | C07 | C12 | C11 | 179.9° | 179.7° |
| C07 | C28 | C29 | O08 | 123.8° | 120.0° |
| C07 | C28 | C29 | H30 | 116.0° | 120.0° |
| C07 | C28 | O08 | H30 | 111.2° | 120.0° |
| C28 | C07 | C08 | H10 | 0.2° | 0.9° |
| C28 | C07 | C12 | H13 | 0.1° | 0.9° |
| C07 | C28 | C29 | H31 | 180.0° | 180.0° |
| C07 | C28 | C29 | H33 | 60.0° | 60.0° |
| C07 | C28 | C29 | H32 | 60.0° | 60.0° |
| C07 | C28 | O08 | H42 | 180.0° | 179.9° |
| C08 | C09 | C10 | H11 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.7° | 0.0° |
| C08 | C09 | C10 | S01 | 179.4° | 179.7° |
| C09 | C10 | C11 | S01 | 179.9° | 179.7° |
| C09 | C10 | C11 | C12 | 0.6° | 0.3° |
| C09 | C10 | S01 | N01 | 80.1° | 91.0° |
| C09 | C10 | S01 | O01 | 166.1° | 22.6° |
| C09 | C10 | S01 | O02 | 31.9° | 155.5° |
| C10 | C09 | C08 | H10 | 179.6° | 179.7° |
| C09 | C10 | C11 | H12 | 179.4° | 179.8° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C11 | C10 | S01 | N01 | 99.8° | 88.7° |
| C11 | C10 | S01 | O01 | 14.0° | 157.7° |
| C11 | C10 | S01 | O02 | 148.2° | 24.8° |
| C11 | C10 | C09 | H11 | 179.3° | 180.0° |
| C10 | C11 | C12 | H13 | 179.5° | 179.4° |
| S01 | C10 | C11 | C12 | 179.5° | 180.0° |
| C10 | S01 | N01 | C13 | 57.8° | 97.2° |
| C10 | S01 | N01 | O01 | 112.4° | 113.5° |
| C10 | S01 | N01 | O02 | 110.9° | 113.5° |
| C10 | S01 | O01 | O02 | 122.9° | 122.9° |
| S01 | C10 | C09 | H11 | 0.6° | 0.3° |
| S01 | C10 | C11 | H12 | 0.5° | 0.0° |
| C14 | C13 | N01 | H14 | 121.0° | 120.1° |
| C14 | C13 | N01 | H15 | 121.0° | 120.0° |
| C13 | C14 | C15 | H16 | 116.3° | 120.0° |
| C13 | C14 | C15 | C30 | 177.5° | 61.0° |
| C14 | C13 | N01 | S01 | 133.9° | 82.1° |
| C14 | C13 | H14 | H15 | 117.0° | 120.0° |
| C13 | C14 | C15 | H18 | 61.8° | 59.1° |
| C13 | C14 | C15 | H17 | 56.9° | 179.0° |
| C13 | C14 | C01 | H02 | 38.1° | 158.1° |
| C13 | C14 | C01 | H01 | 156.4° | 38.1° |
| N01 | C13 | C14 | C15 | 62.8° | 178.9° |
| C13 | N01 | S01 | O01 | 54.6° | 16.4° |
| C13 | N01 | S01 | O02 | 168.7° | 149.3° |
| N01 | C13 | H14 | H15 | 116.9° | 119.9° |
| C13 | N01 | C02 | H03 | 138.7° | 34.9° |
| C13 | N01 | C02 | H04 | 18.9° | 155.0° |
| N01 | C13 | C14 | H16 | 53.5° | 58.9° |
| C14 | C15 | C30 | H18 | 120.6° | 120.0° |
| C14 | C15 | C30 | H17 | 120.6° | 120.0° |
| C15 | C14 | C13 | H14 | 176.2° | 61.1° |
| C15 | C14 | C13 | H15 | 58.1° | 58.9° |
| C14 | C15 | H18 | H17 | 118.0° | 119.9° |
| C15 | C14 | C01 | H02 | 164.9° | 38.2° |
| C15 | C14 | C01 | H01 | 76.8° | 81.8° |
| C14 | C15 | C30 | H35 | 180.0° | 177.0° |
| C14 | C15 | C30 | H36 | 60.0° | 63.0° |
| C14 | C15 | C30 | H34 | 60.0° | 57.1° |
| C30 | C15 | H18 | H17 | 118.0° | 120.0° |
| C30 | C15 | C14 | H16 | 66.2° | 59.0° |
| C15 | C30 | H35 | H36 | 120.0° | 120.0° |
| C15 | C30 | H35 | H34 | 120.0° | 119.9° |
| C15 | C30 | H36 | H34 | 120.0° | 120.0° |
| C17 | C16 | O03 | H19 | 120.7° | 120.0° |
| C16 | C17 | C21 | N02 | 119.1° | 119.9° |
| C16 | C17 | C21 | H20 | 121.4° | 120.0° |
| C16 | C17 | N02 | H20 | 119.3° | 119.9° |
| C16 | C17 | C21 | C22 | 179.9° | 175.0° |
| C16 | C17 | C21 | H26 | 59.4° | 65.0° |
| C16 | C17 | C21 | H25 | 59.5° | 55.1° |
| C17 | C16 | C02 | H03 | 52.0° | 55.0° |
| C17 | C16 | C02 | H04 | 171.8° | 65.0° |
| C16 | C17 | N02 | H40 | 64.9° | 25.1° |
| C17 | C16 | O03 | H41 | 57.0° | 59.9° |
| O03 | C16 | C17 | C21 | 45.3° | 54.9° |
| O03 | C16 | C17 | N02 | 73.4° | 65.0° |
| O03 | C16 | C17 | H20 | 166.7° | 175.0° |
| O03 | C16 | C02 | H03 | 72.6° | 175.0° |
| O03 | C16 | C02 | H04 | 47.2° | 55.0° |
| C21 | C17 | N02 | H20 | 118.8° | 120.1° |
| C17 | C21 | C22 | H26 | 120.6° | 120.0° |
| C17 | C21 | C22 | H25 | 120.5° | 120.0° |
| C17 | C21 | C22 | C23 | 63.1° | 90.0° |
| C17 | C21 | C22 | C27 | 116.8° | 90.3° |
| C17 | C21 | H26 | H25 | 118.3° | 120.0° |
| C21 | C17 | C16 | H19 | 167.0° | 175.0° |
| C21 | C17 | N02 | H40 | 57.0° | 94.9° |
| N02 | C17 | C21 | C22 | 60.8° | 65.0° |
| N02 | C17 | C21 | H26 | 59.7° | 54.9° |
| N02 | C17 | C21 | H25 | 178.6° | 175.0° |
| N02 | C17 | C16 | H19 | 48.3° | 55.0° |
| O05 | C18 | C04 | H06 | 159.0° | 148.1° |
| O05 | C18 | C04 | H05 | 37.0° | 25.7° |
| O05 | C18 | C05 | H07 | 158.4° | 119.8° |
| O06 | C19 | O07 | H22 | 123.4° | 124.0° |
| O06 | C19 | O07 | C20 | 104.3° | 114.0° |
| C19 | O06 | C04 | H06 | 86.5° | 78.8° |
| C19 | O06 | C04 | H05 | 151.5° | 158.9° |
| O06 | C19 | C05 | H07 | 110.6° | 144.3° |
| C19 | O07 | C20 | H24 | 85.6° | 143.2° |
| C19 | O07 | C20 | H23 | 152.1° | 94.8° |
| O07 | C19 | C05 | H07 | 127.5° | 100.6° |
| O07 | C20 | H24 | H23 | 123.3° | 122.0° |
| O07 | C20 | C06 | H08 | 157.9° | 154.5° |
| O07 | C20 | C06 | H09 | 79.9° | 81.3° |
| C20 | O07 | C19 | H22 | 132.3° | 121.9° |
| C21 | C22 | C23 | C27 | 179.9° | 179.7° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C21 | C22 | C27 | C26 | 180.0° | 180.0° |
| C22 | C21 | C17 | H20 | 58.6° | 55.0° |
| C22 | C21 | H26 | H25 | 118.3° | 120.0° |
| C21 | C22 | C23 | H27 | 0.1° | 0.1° |
| C21 | C22 | C27 | H29 | 0.0° | 0.0° |
| C22 | C23 | C24 | H27 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C24 | F01 | 179.9° | 179.7° |
| C23 | C22 | C27 | C26 | 0.2° | 0.3° |
| C23 | C22 | C21 | H26 | 176.4° | 30.0° |
| C23 | C22 | C21 | H25 | 57.4° | 150.0° |
| C23 | C22 | C27 | H29 | 179.8° | 179.7° |
| C27 | C22 | C23 | C24 | 0.3° | 0.3° |
| C22 | C27 | C26 | C25 | 0.1° | 0.0° |
| C22 | C27 | C26 | H29 | 180.0° | 179.9° |
| C22 | C27 | C26 | F02 | 179.8° | 180.0° |
| C27 | C22 | C21 | H26 | 3.8° | 149.7° |
| C27 | C22 | C21 | H25 | 122.7° | 29.7° |
| C27 | C22 | C23 | H27 | 179.8° | 179.8° |
| C23 | C24 | C25 | F01 | 179.8° | 179.7° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C23 | C24 | C25 | H28 | 179.8° | 179.8° |
| C24 | C25 | C26 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.3° |
| C24 | C25 | C26 | F02 | 179.8° | 179.8° |
| C25 | C24 | C23 | H27 | 179.7° | 180.0° |
| F01 | C24 | C25 | C26 | 180.0° | 180.0° |
| F01 | C24 | C23 | H27 | 0.0° | 0.3° |
| F01 | C24 | C25 | H28 | 0.0° | 0.1° |
| C25 | C26 | C27 | F02 | 179.9° | 179.9° |
| C25 | C26 | C27 | H29 | 179.9° | 180.0° |
| C27 | C26 | C25 | H28 | 179.9° | 179.7° |
| F02 | C26 | C25 | H28 | 0.2° | 0.2° |
| F02 | C26 | C27 | H29 | 0.2° | 0.1° |
| C29 | C28 | O08 | H30 | 119.5° | 120.0° |
| C28 | C29 | H31 | H33 | 120.0° | 120.0° |
| C28 | C29 | H31 | H32 | 120.0° | 119.9° |
| C28 | C29 | H33 | H32 | 120.0° | 120.0° |
| C29 | C28 | O08 | H42 | 50.6° | 60.0° |
| O08 | C28 | C29 | H31 | 56.2° | 59.9° |
| O08 | C28 | C29 | H33 | 176.2° | 180.0° |
| O08 | C28 | C29 | H32 | 63.8° | 60.0° |
| N01 | S01 | O01 | O02 | 127.0° | 123.0° |
| S01 | N01 | C13 | H14 | 105.1° | 157.8° |
| S01 | N01 | C13 | H15 | 13.0° | 37.8° |
| S01 | N01 | C02 | H03 | 10.5° | 145.0° |
| S01 | N01 | C02 | H04 | 130.3° | 24.9° |
| H14 | C13 | C14 | H16 | 67.4° | 179.0° |
| H15 | C13 | C14 | H16 | 174.5° | 61.0° |
| H18 | C15 | C14 | H16 | 54.5° | 179.0° |
| H18 | C15 | C30 | H35 | 59.4° | 56.9° |
| H18 | C15 | C30 | H36 | 179.4° | 176.9° |
| H18 | C15 | C30 | H34 | 60.7° | 63.0° |
| H17 | C15 | C14 | H16 | 173.2° | 61.0° |
| H17 | C15 | C30 | H35 | 59.3° | 63.0° |
| H17 | C15 | C30 | H36 | 60.7° | 57.0° |
| H17 | C15 | C30 | H34 | 179.4° | 177.0° |
| H20 | C17 | C21 | H26 | 179.2° | 175.0° |
| H20 | C17 | C21 | H25 | 61.9° | 64.9° |
| H20 | C17 | C16 | H19 | 71.6° | 65.0° |
| H20 | C17 | N02 | H40 | 175.8° | 145.0° |
| H24 | C20 | C06 | H08 | 39.1° | 86.6° |
| H24 | C20 | C06 | H09 | 161.3° | 37.6° |
| H23 | C20 | C06 | H08 | 83.2° | 35.6° |
| H23 | C20 | C06 | H09 | 38.9° | 159.8° |
| H30 | C28 | C29 | H31 | 63.9° | 60.0° |
| H30 | C28 | C29 | H33 | 56.1° | 60.0° |
| H30 | C28 | C29 | H32 | 176.1° | 179.9° |
| H30 | C28 | O08 | H42 | 68.8° | 59.9° |
| H02 | C01 | C14 | H16 | 77.2° | 81.9° |
| H02 | C01 | C31 | H37 | 59.2° | 53.3° |
| H02 | C01 | C31 | H39 | 179.2° | 66.6° |
| H02 | C01 | C31 | H38 | 60.9° | 173.3° |
| H01 | C01 | C14 | H16 | 41.1° | 158.1° |
| H01 | C01 | C31 | H37 | 59.2° | 173.3° |
| H01 | C01 | C31 | H39 | 60.8° | 53.4° |
| H01 | C01 | C31 | H38 | 179.2° | 66.7° |
| H03 | C02 | C16 | H19 | 169.9° | 65.0° |
| H04 | C02 | C16 | H19 | 70.3° | 175.0° |
| H06 | C04 | C18 | H21 | 37.3° | 25.5° |
| H05 | C04 | C18 | H21 | 84.7° | 96.9° |
| H07 | C05 | C06 | H08 | 94.6° | 29.4° |
| H07 | C05 | C06 | H09 | 27.6° | 153.5° |
| H07 | C05 | C18 | H21 | 29.4° | 2.9° |
| H07 | C05 | C19 | H22 | 7.6° | 23.0° |
| H10 | C08 | C09 | H11 | 0.4° | 0.3° |
| H12 | C11 | C12 | H13 | 0.5° | 0.6° |
| H19 | C16 | O03 | H41 | 63.7° | 179.9° |
| H31 | C29 | H33 | H32 | 120.0° | 120.0° |
| H35 | C30 | H36 | H34 | 120.0° | 120.0° |
| H37 | C31 | H39 | H38 | 120.0° | 120.1° |
