A1CNO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C14 | sing | 1.53Å | 1.54Å | |
| C01 | N01 | sing | 1.46Å | 1.47Å | |
| C02 | C07 | sing | 1.53Å | 1.55Å | |
| C02 | C14 | sing | 1.53Å | 1.54Å | |
| C02 | N02 | sing | 1.46Å | 1.45Å | |
| C03 | N02 | sing | 1.35Å | 1.35Å | |
| C03 | O04 | doub | 1.22Å | 1.21Å | |
| C03 | O05 | sing | 1.35Å | 1.35Å | |
| C04 | C05 | sing | 1.56Å | 1.57Å | |
| C04 | C15 | sing | 1.54Å | 1.54Å | |
| C04 | C17 | sing | 1.55Å | 1.54Å | |
| C05 | O06 | sing | 1.44Å | 1.44Å | |
| C05 | O07 | sing | 1.43Å | 1.41Å | |
| C06 | C17 | sing | 1.54Å | 1.52Å | |
| C06 | O07 | sing | 1.43Å | 1.45Å | |
| C07 | C18 | sing | 1.51Å | 1.51Å | |
| C08 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | S01 | sing | 1.76Å | 1.81Å | |
| C12 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C23 | sing | 1.53Å | 1.55Å | |
| C13 | N01 | sing | 1.46Å | 1.48Å | |
| C14 | O03 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C15 | O05 | sing | 1.45Å | 1.43Å | |
| C16 | O06 | sing | 1.43Å | 1.43Å | |
| C18 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | F01 | sing | 1.35Å | 1.35Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | F02 | sing | 1.35Å | 1.36Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C32 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.54Å | 1.54Å | |
| C27 | C31 | sing | 1.54Å | 1.55Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C31 | O08 | sing | 1.43Å | 1.44Å | |
| N01 | S01 | sing | 1.66Å | 1.70Å | |
| O01 | S01 | doub | 1.42Å | 1.46Å | |
| O02 | S01 | doub | 1.42Å | 1.45Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H08 | sing | 1.09Å | 1.10Å | |
| C07 | H09 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | 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 | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | 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 | N01 | 112.0° | 109.5° |
| C01 | C14 | C02 | 111.8° | 109.5° |
| C01 | C14 | O03 | 112.1° | 109.5° |
| C14 | C01 | H01 | 108.9° | 109.5° |
| C14 | C01 | H02 | 108.8° | 109.5° |
| C01 | C14 | H16 | 108.0° | 109.5° |
| C01 | N01 | C13 | 116.8° | 120.0° |
| C01 | N01 | S01 | 113.8° | 120.0° |
| N01 | C01 | H01 | 108.8° | 109.5° |
| N01 | C01 | H02 | 108.8° | 109.5° |
| C07 | C02 | C14 | 112.6° | 109.5° |
| C07 | C02 | N02 | 109.3° | 109.5° |
| C02 | C07 | C18 | 112.8° | 109.5° |
| C07 | C02 | H03 | 107.6° | 109.5° |
| C02 | C07 | H08 | 108.6° | 109.4° |
| C02 | C07 | H09 | 108.6° | 109.5° |
| C14 | C02 | N02 | 110.5° | 109.5° |
| C02 | C14 | O03 | 107.3° | 109.5° |
| C14 | C02 | H03 | 107.7° | 109.4° |
| C02 | C14 | H16 | 108.0° | 109.5° |
| C02 | N02 | C03 | 123.6° | 120.1° |
| N02 | C02 | H03 | 109.0° | 109.4° |
| C02 | N02 | H40 | 118.2° | 119.9° |
| N02 | C03 | O04 | 128.0° | 120.0° |
| N02 | C03 | O05 | 107.1° | 120.0° |
| C03 | N02 | H40 | 118.2° | 120.0° |
| O04 | C03 | O05 | 124.9° | 120.0° |
| C03 | O05 | C15 | 118.6° | 117.0° |
| C05 | C04 | C15 | 100.7° | 102.8° |
| C05 | C04 | C17 | 98.7° | 101.2° |
| C04 | C05 | O06 | 108.0° | 104.0° |
| C04 | C05 | O07 | 105.9° | 105.1° |
| C05 | C04 | H04 | 110.0° | 114.2° |
| C04 | C05 | H05 | 109.4° | 112.7° |
| C15 | C04 | C17 | 124.7° | 108.8° |
| C04 | C15 | C16 | 103.3° | 104.7° |
| C04 | C15 | O05 | 116.0° | 110.4° |
| C04 | C15 | H17 | 110.9° | 110.5° |
| C15 | C04 | H04 | 110.4° | 113.8° |
| C04 | C17 | C06 | 98.9° | 102.6° |
| C04 | C17 | H20 | 112.0° | 110.8° |
| C04 | C17 | H21 | 112.1° | 110.8° |
| C17 | C04 | H04 | 110.4° | 114.7° |
| O06 | C05 | O07 | 110.4° | 108.8° |
| C05 | O06 | C16 | 108.8° | 107.9° |
| O06 | C05 | H05 | 111.2° | 112.6° |
| C05 | O07 | C06 | 108.8° | 110.4° |
| O07 | C05 | H05 | 111.7° | 113.0° |
| C17 | C06 | O07 | 99.3° | 107.7° |
| C06 | C17 | H20 | 112.0° | 110.8° |
| C06 | C17 | H21 | 112.0° | 111.0° |
| C17 | C06 | H06 | 112.0° | 109.8° |
| C17 | C06 | H07 | 112.0° | 109.8° |
| O07 | C06 | H06 | 112.0° | 109.8° |
| O07 | C06 | H07 | 111.9° | 109.8° |
| C07 | C18 | C08 | 120.6° | 120.0° |
| C07 | C18 | C22 | 120.0° | 120.0° |
| C18 | C07 | H08 | 108.6° | 109.5° |
| C18 | C07 | H09 | 108.6° | 109.5° |
| C18 | C08 | C19 | 118.8° | 120.0° |
| C08 | C18 | C22 | 119.4° | 120.1° |
| C18 | C08 | H10 | 120.6° | 120.0° |
| C08 | C19 | C20 | 123.3° | 120.0° |
| C08 | C19 | F01 | 118.8° | 120.0° |
| C19 | C08 | H10 | 120.6° | 120.0° |
| C10 | C09 | C30 | 119.4° | 120.3° |
| C09 | C10 | C11 | 119.6° | 119.9° |
| C09 | C10 | H12 | 120.2° | 120.1° |
| C10 | C09 | H11 | 120.3° | 119.8° |
| C09 | C30 | C29 | 120.5° | 119.8° |
| C09 | C30 | C31 | 129.7° | 130.4° |
| C30 | C09 | H11 | 120.3° | 119.9° |
| C10 | C11 | C12 | 121.6° | 120.0° |
| C10 | C11 | S01 | 119.1° | 120.0° |
| C11 | C10 | H12 | 120.2° | 120.0° |
| C12 | C11 | S01 | 119.3° | 120.0° |
| C11 | C12 | C29 | 118.2° | 120.2° |
| C11 | C12 | H13 | 121.0° | 119.9° |
| C11 | S01 | N01 | 107.4° | 107.2° |
| C11 | S01 | O01 | 107.2° | 106.4° |
| C11 | S01 | O02 | 107.9° | 106.4° |
| C12 | C29 | C28 | 129.2° | 130.4° |
| C12 | C29 | C30 | 120.7° | 119.9° |
| C29 | C12 | H13 | 120.9° | 119.9° |
| C23 | C13 | N01 | 118.5° | 109.5° |
| C13 | C23 | C24 | 110.8° | 109.5° |
| C13 | C23 | C25 | 111.3° | 109.5° |
| C23 | C13 | H15 | 107.1° | 109.5° |
| C23 | C13 | H14 | 107.2° | 109.5° |
| C13 | C23 | H24 | 107.4° | 109.5° |
| C13 | N01 | S01 | 116.0° | 120.0° |
| N01 | C13 | H15 | 107.2° | 109.5° |
| N01 | C13 | H14 | 107.2° | 109.5° |
| O03 | C14 | H16 | 109.5° | 109.5° |
| C14 | O03 | H41 | 109.5° | 114.0° |
| C16 | C15 | O05 | 102.3° | 110.4° |
| C15 | C16 | O06 | 103.7° | 107.4° |
| C16 | C15 | H17 | 111.0° | 110.4° |
| C15 | C16 | H19 | 110.9° | 109.9° |
| C15 | C16 | H18 | 110.9° | 109.9° |
| O05 | C15 | H17 | 112.5° | 110.3° |
| O06 | C16 | H19 | 110.9° | 109.9° |
| O06 | C16 | H18 | 110.9° | 109.9° |
| C18 | C22 | C21 | 119.2° | 120.0° |
| C18 | C22 | H23 | 120.4° | 120.0° |
| C20 | C19 | F01 | 117.9° | 120.0° |
| C19 | C20 | C21 | 116.1° | 119.9° |
| C19 | C20 | H22 | 121.9° | 120.1° |
| C20 | C21 | C22 | 123.2° | 120.0° |
| C20 | C21 | F02 | 118.6° | 120.0° |
| C21 | C20 | H22 | 121.9° | 120.0° |
| C22 | C21 | F02 | 118.3° | 120.0° |
| C21 | C22 | H23 | 120.4° | 120.0° |
| C24 | C23 | C25 | 112.3° | 109.5° |
| C23 | C24 | C32 | 115.6° | 109.5° |
| C23 | C24 | H25 | 107.9° | 109.5° |
| C23 | C24 | H26 | 107.9° | 109.5° |
| C24 | C23 | H24 | 107.4° | 109.4° |
| C23 | C25 | C26 | 117.9° | 109.4° |
| C25 | C23 | H24 | 107.3° | 109.5° |
| C23 | C25 | H28 | 107.3° | 109.4° |
| C23 | C25 | H27 | 107.3° | 109.5° |
| C32 | C24 | H25 | 107.9° | 109.5° |
| C32 | C24 | H26 | 107.9° | 109.5° |
| C24 | C32 | H37 | 109.5° | 109.5° |
| C24 | C32 | H38 | 109.4° | 109.5° |
| C24 | C32 | H39 | 109.5° | 109.5° |
| C25 | C26 | H31 | 109.5° | 109.5° |
| C25 | C26 | H29 | 109.5° | 109.5° |
| C25 | C26 | H30 | 109.5° | 109.4° |
| C26 | C25 | H28 | 107.3° | 109.5° |
| C26 | C25 | H27 | 107.3° | 109.5° |
| C28 | C27 | C31 | 103.9° | 102.6° |
| C27 | C28 | C29 | 99.1° | 105.3° |
| C27 | C28 | H35 | 112.0° | 110.9° |
| C27 | C28 | H34 | 112.0° | 109.7° |
| C28 | C27 | H33 | 110.8° | 110.8° |
| C28 | C27 | H32 | 110.9° | 110.8° |
| C27 | C31 | C30 | 98.7° | 105.2° |
| C27 | C31 | O08 | 116.8° | 110.3° |
| C31 | C27 | H33 | 110.9° | 111.2° |
| C31 | C27 | H32 | 110.9° | 110.3° |
| C27 | C31 | H36 | 110.8° | 110.3° |
| C28 | C29 | C30 | 110.1° | 109.7° |
| C29 | C28 | H35 | 112.0° | 110.3° |
| C29 | C28 | H34 | 112.0° | 110.3° |
| C29 | C30 | C31 | 109.7° | 109.8° |
| C30 | C31 | O08 | 105.7° | 109.8° |
| C30 | C31 | H36 | 111.3° | 110.8° |
| O08 | C31 | H36 | 112.5° | 110.3° |
| C31 | O08 | H42 | 109.5° | 114.0° |
| N01 | S01 | O01 | 105.1° | 106.4° |
| N01 | S01 | O02 | 107.1° | 106.4° |
| O01 | S01 | O02 | 121.3° | 123.2° |
| H15 | C13 | H14 | 109.5° | 109.4° |
| H20 | C17 | H21 | 109.5° | 110.7° |
| H25 | C24 | H26 | 109.4° | 109.5° |
| H31 | C26 | H29 | 109.5° | 109.5° |
| H31 | C26 | H30 | 109.5° | 109.4° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| H35 | C28 | H34 | 109.5° | 110.3° |
| H01 | C01 | H02 | 109.5° | 109.4° |
| H06 | C06 | H07 | 109.5° | 109.8° |
| H08 | C07 | H09 | 109.5° | 109.5° |
| H19 | C16 | H18 | 109.4° | 109.9° |
| H28 | C25 | H27 | 109.5° | 109.5° |
| H33 | C27 | H32 | 109.5° | 110.9° |
| H37 | C32 | H38 | 109.5° | 109.5° |
| H37 | C32 | H39 | 109.5° | 109.4° |
| H38 | C32 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C01 | N01 | H01 | 120.4° | 120.0° |
| C14 | C01 | N01 | H02 | 120.3° | 120.0° |
| C01 | C14 | C02 | C07 | 74.2° | 65.0° |
| C01 | C14 | C02 | O03 | 123.3° | 120.0° |
| C01 | C14 | C02 | H16 | 118.7° | 120.0° |
| C01 | C14 | C02 | N02 | 163.3° | 175.0° |
| C14 | C01 | N01 | C13 | 103.9° | 85.0° |
| C01 | C14 | O03 | H16 | 119.9° | 120.0° |
| C14 | C01 | N01 | S01 | 116.8° | 95.0° |
| C14 | C01 | H01 | H02 | 118.9° | 120.0° |
| C01 | C14 | C02 | H03 | 44.3° | 55.0° |
| C01 | C14 | O03 | H41 | 180.0° | 60.0° |
| N01 | C01 | C14 | C02 | 72.5° | 175.0° |
| C01 | N01 | S01 | C11 | 86.0° | 83.5° |
| C01 | N01 | C13 | C23 | 95.1° | 95.7° |
| C01 | N01 | C13 | S01 | 138.4° | 180.0° |
| N01 | C01 | C14 | O03 | 167.0° | 65.0° |
| C01 | N01 | S01 | O01 | 28.0° | 163.0° |
| C01 | N01 | S01 | O02 | 158.3° | 30.0° |
| C01 | N01 | C13 | H15 | 26.1° | 24.3° |
| C01 | N01 | C13 | H14 | 143.6° | 144.3° |
| N01 | C01 | H01 | H02 | 118.9° | 120.0° |
| N01 | C01 | C14 | H16 | 46.3° | 55.0° |
| C07 | C02 | C14 | N02 | 122.6° | 120.1° |
| C07 | C02 | C14 | H03 | 118.5° | 120.0° |
| C07 | C02 | N02 | H03 | 117.4° | 120.0° |
| C07 | C02 | N02 | C03 | 109.8° | 84.9° |
| C02 | C07 | C18 | H08 | 120.5° | 119.9° |
| C02 | C07 | C18 | H09 | 120.5° | 120.0° |
| C02 | C07 | C18 | C08 | 122.8° | 89.9° |
| C07 | C02 | C14 | O03 | 49.1° | 55.0° |
| C02 | C07 | C18 | C22 | 56.9° | 90.0° |
| C02 | C07 | H08 | H09 | 118.5° | 120.0° |
| C07 | C02 | C14 | H16 | 167.1° | 175.0° |
| C07 | C02 | N02 | H40 | 70.2° | 95.0° |
| C14 | C02 | N02 | H03 | 118.2° | 120.0° |
| C14 | C02 | N02 | C03 | 125.8° | 155.0° |
| C14 | C02 | C07 | C18 | 173.5° | 175.0° |
| C02 | C14 | O03 | H16 | 117.0° | 120.0° |
| C02 | C14 | C01 | H01 | 47.9° | 55.0° |
| C02 | C14 | C01 | H02 | 167.2° | 65.0° |
| C14 | C02 | C07 | H08 | 66.0° | 65.0° |
| C14 | C02 | C07 | H09 | 53.1° | 55.0° |
| C14 | C02 | N02 | H40 | 54.2° | 25.0° |
| C02 | C14 | O03 | H41 | 56.9° | 60.1° |
| C02 | N02 | C03 | H40 | 180.0° | 179.9° |
| C02 | N02 | C03 | O04 | 14.1° | 0.1° |
| C02 | N02 | C03 | O05 | 166.4° | 180.0° |
| N02 | C02 | C07 | C18 | 63.2° | 65.0° |
| N02 | C02 | C14 | O03 | 73.4° | 65.0° |
| N02 | C02 | C07 | H08 | 57.2° | 55.0° |
| N02 | C02 | C07 | H09 | 176.3° | 175.0° |
| N02 | C02 | C14 | H16 | 44.6° | 55.0° |
| N02 | C03 | O04 | O05 | 179.4° | 179.9° |
| N02 | C03 | O05 | C15 | 176.9° | 180.0° |
| C03 | N02 | C02 | H03 | 7.6° | 35.1° |
| O04 | C03 | O05 | C15 | 3.5° | 0.0° |
| O04 | C03 | N02 | H40 | 165.9° | 180.0° |
| C03 | O05 | C15 | C04 | 115.2° | 153.2° |
| C03 | O05 | C15 | C16 | 133.1° | 91.5° |
| C03 | O05 | C15 | H17 | 13.9° | 30.8° |
| O05 | C03 | N02 | H40 | 13.6° | 0.1° |
| C05 | C04 | C15 | C17 | 108.5° | 106.7° |
| C05 | C04 | C15 | H04 | 116.2° | 124.1° |
| C05 | C04 | C17 | H04 | 115.3° | 123.4° |
| C04 | C05 | O06 | O07 | 115.4° | 111.7° |
| C04 | C05 | O06 | H05 | 120.0° | 122.3° |
| C04 | C05 | O07 | H05 | 119.0° | 123.3° |
| C05 | C04 | C17 | C06 | 44.9° | 33.1° |
| C04 | C05 | O07 | C06 | 10.3° | 22.9° |
| C05 | C04 | C15 | C16 | 31.3° | 17.7° |
| C05 | C04 | C15 | O05 | 79.8° | 136.5° |
| C04 | C05 | O06 | C16 | 12.3° | 36.9° |
| C05 | C04 | C15 | H17 | 150.3° | 101.2° |
| C05 | C04 | C17 | H20 | 163.2° | 85.1° |
| C05 | C04 | C17 | H21 | 73.3° | 151.6° |
| C15 | C04 | C17 | H04 | 135.2° | 128.8° |
| C15 | C04 | C05 | O06 | 12.8° | 33.0° |
| C15 | C04 | C05 | O07 | 105.4° | 147.3° |
| C15 | C04 | C17 | C06 | 64.6° | 140.9° |
| C04 | C15 | C16 | O05 | 120.9° | 118.8° |
| C04 | C15 | C16 | H17 | 118.9° | 118.9° |
| C04 | C15 | O05 | H17 | 129.1° | 122.4° |
| C04 | C15 | C16 | O06 | 40.2° | 3.5° |
| C15 | C04 | C17 | H20 | 53.6° | 22.6° |
| C15 | C04 | C17 | H21 | 177.2° | 100.6° |
| C15 | C04 | C05 | H05 | 134.0° | 89.2° |
| C04 | C15 | C16 | H19 | 78.9° | 116.0° |
| C04 | C15 | C16 | H18 | 159.2° | 123.0° |
| C17 | C04 | C05 | O06 | 140.8° | 79.5° |
| C17 | C04 | C05 | O07 | 22.5° | 34.8° |
| C04 | C17 | C06 | H20 | 118.2° | 118.3° |
| C04 | C17 | C06 | H21 | 118.3° | 118.4° |
| C04 | C17 | C06 | O07 | 52.1° | 21.3° |
| C17 | C04 | C15 | C16 | 139.8° | 89.0° |
| C17 | C04 | C15 | O05 | 28.7° | 29.8° |
| C17 | C04 | C15 | H17 | 101.2° | 152.1° |
| C04 | C17 | H20 | H21 | 125.0° | 123.3° |
| C17 | C04 | C05 | H05 | 98.0° | 158.4° |
| C04 | C17 | C06 | H06 | 66.2° | 140.8° |
| C04 | C17 | C06 | H07 | 170.4° | 98.3° |
| O06 | C05 | O07 | H05 | 124.3° | 125.8° |
| O06 | C05 | O07 | C06 | 106.4° | 88.0° |
| C05 | O06 | C16 | C15 | 32.6° | 25.7° |
| O06 | C05 | C04 | H04 | 103.6° | 156.8° |
| C05 | O06 | C16 | H19 | 86.5° | 93.8° |
| C05 | O06 | C16 | H18 | 151.7° | 145.1° |
| C05 | O07 | C06 | C17 | 39.4° | 0.9° |
| O07 | C05 | O06 | C16 | 127.6° | 148.6° |
| O07 | C05 | C04 | H04 | 138.1° | 88.9° |
| C05 | O07 | C06 | H06 | 78.9° | 118.6° |
| C05 | O07 | C06 | H07 | 157.7° | 120.5° |
| C17 | C06 | O07 | H06 | 118.3° | 119.6° |
| C17 | C06 | O07 | H07 | 118.3° | 119.5° |
| C06 | C17 | H20 | H21 | 124.9° | 123.5° |
| C06 | C17 | C04 | H04 | 160.2° | 90.3° |
| C17 | C06 | H06 | H07 | 124.8° | 120.9° |
| O07 | C06 | C17 | H20 | 170.3° | 97.0° |
| O07 | C06 | C17 | H21 | 66.1° | 139.6° |
| C06 | O07 | C05 | H05 | 129.3° | 146.2° |
| O07 | C06 | H06 | H07 | 124.8° | 120.9° |
| C07 | C18 | C08 | C22 | 179.6° | 180.0° |
| C07 | C18 | C08 | C19 | 179.8° | 179.7° |
| C07 | C18 | C22 | C21 | 179.8° | 180.0° |
| C07 | C18 | C22 | H23 | 0.2° | 0.0° |
| C18 | C07 | C02 | H03 | 55.0° | 55.0° |
| C18 | C07 | H08 | H09 | 118.5° | 120.1° |
| C07 | C18 | C08 | H10 | 0.2° | 0.0° |
| C18 | C08 | C19 | H10 | 180.0° | 179.7° |
| C18 | C08 | C19 | C20 | 0.1° | 0.5° |
| C18 | C08 | C19 | F01 | 179.9° | 179.9° |
| C08 | C18 | C22 | C21 | 0.2° | 0.0° |
| C08 | C18 | C22 | H23 | 179.8° | 180.0° |
| C08 | C18 | C07 | H08 | 2.3° | 30.0° |
| C08 | C18 | C07 | H09 | 116.8° | 150.0° |
| C19 | C08 | C18 | C22 | 0.1° | 0.3° |
| C08 | C19 | C20 | F01 | 180.0° | 179.6° |
| C08 | C19 | C20 | C21 | 0.0° | 0.5° |
| C08 | C19 | C20 | H22 | 180.0° | 179.7° |
| C10 | C09 | C30 | H11 | 180.0° | 180.0° |
| C09 | C10 | C11 | H12 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | S01 | 179.8° | 179.7° |
| C10 | C09 | C30 | C29 | 0.5° | 0.6° |
| C10 | C09 | C30 | C31 | 179.7° | 180.0° |
| C30 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C30 | C29 | C12 | 0.8° | 0.8° |
| C09 | C30 | C31 | C27 | 154.7° | 162.8° |
| C09 | C30 | C29 | C28 | 179.6° | 179.6° |
| C09 | C30 | C29 | C31 | 179.3° | 179.5° |
| C09 | C30 | C31 | O08 | 84.2° | 78.6° |
| C30 | C09 | C10 | H12 | 179.9° | 179.7° |
| C09 | C30 | C31 | H36 | 38.2° | 43.5° |
| C10 | C11 | C12 | S01 | 179.7° | 180.0° |
| C10 | C11 | C12 | C29 | 0.2° | 0.0° |
| C10 | C11 | S01 | N01 | 83.5° | 86.6° |
| C10 | C11 | S01 | O01 | 29.1° | 159.9° |
| C10 | C11 | S01 | O02 | 161.3° | 26.9° |
| C11 | C10 | C09 | H11 | 179.9° | 180.0° |
| C10 | C11 | C12 | H13 | 179.8° | 180.0° |
| C11 | C12 | C29 | H13 | 180.0° | 180.0° |
| C11 | C12 | C29 | C28 | 179.2° | 180.0° |
| C11 | C12 | C29 | C30 | 0.6° | 0.5° |
| C12 | C11 | S01 | N01 | 96.2° | 93.4° |
| C12 | C11 | S01 | O01 | 151.2° | 20.1° |
| C12 | C11 | S01 | O02 | 19.0° | 153.1° |
| C12 | C11 | C10 | H12 | 179.9° | 180.0° |
| S01 | C11 | C12 | C29 | 179.5° | 180.0° |
| C11 | S01 | N01 | C13 | 53.7° | 96.5° |
| C11 | S01 | N01 | O01 | 114.0° | 113.5° |
| C11 | S01 | N01 | O02 | 115.8° | 113.5° |
| C11 | S01 | O01 | O02 | 124.5° | 123.0° |
| S01 | C11 | C10 | H12 | 0.2° | 0.1° |
| S01 | C11 | C12 | H13 | 0.5° | 0.0° |
| C12 | C29 | C28 | C27 | 154.2° | 163.6° |
| C12 | C29 | C28 | C30 | 178.7° | 179.5° |
| C12 | C29 | C30 | C31 | 179.9° | 179.7° |
| C12 | C29 | C28 | H35 | 36.0° | 43.9° |
| C12 | C29 | C28 | H34 | 87.5° | 78.1° |
| C23 | C13 | N01 | H15 | 121.3° | 120.0° |
| C23 | C13 | N01 | H14 | 121.3° | 120.1° |
| C13 | C23 | C24 | C25 | 125.1° | 120.0° |
| C13 | C23 | C24 | H24 | 117.1° | 120.0° |
| C13 | C23 | C25 | H24 | 117.3° | 120.1° |
| C13 | C23 | C24 | C32 | 68.8° | 68.6° |
| C13 | C23 | C25 | C26 | 167.9° | 80.9° |
| C23 | C13 | N01 | S01 | 126.4° | 84.3° |
| C23 | C13 | H15 | H14 | 115.9° | 120.0° |
| C13 | C23 | C24 | H25 | 52.1° | 51.4° |
| C13 | C23 | C24 | H26 | 170.3° | 171.4° |
| C13 | C23 | C25 | H28 | 70.9° | 39.1° |
| C13 | C23 | C25 | H27 | 46.6° | 159.1° |
| N01 | C13 | C23 | C24 | 162.0° | 177.8° |
| N01 | C13 | C23 | C25 | 72.3° | 57.8° |
| C13 | N01 | S01 | O01 | 167.7° | 17.0° |
| C13 | N01 | S01 | O02 | 62.0° | 150.0° |
| N01 | C13 | H15 | H14 | 116.0° | 120.0° |
| C13 | N01 | C01 | H01 | 135.7° | 35.0° |
| C13 | N01 | C01 | H02 | 16.4° | 155.0° |
| N01 | C13 | C23 | H24 | 44.9° | 62.2° |
| O03 | C14 | C01 | H01 | 72.6° | 175.0° |
| O03 | C14 | C01 | H02 | 46.6° | 55.0° |
| O03 | C14 | C02 | H03 | 167.6° | 175.0° |
| C16 | C15 | O05 | H17 | 119.2° | 122.2° |
| C15 | C16 | O06 | H19 | 119.1° | 119.5° |
| C15 | C16 | O06 | H18 | 119.1° | 119.5° |
| C16 | C15 | C04 | H04 | 85.0° | 141.7° |
| C15 | C16 | H19 | H18 | 122.7° | 121.0° |
| O05 | C15 | C16 | O06 | 80.7° | 115.4° |
| O05 | C15 | C04 | H04 | 164.0° | 99.5° |
| O05 | C15 | C16 | H19 | 160.2° | 125.2° |
| O05 | C15 | C16 | H18 | 38.3° | 4.1° |
| O06 | C16 | C15 | H17 | 159.0° | 122.4° |
| C16 | O06 | C05 | H05 | 107.8° | 85.3° |
| O06 | C16 | H19 | H18 | 122.7° | 121.0° |
| C18 | C22 | C21 | C20 | 0.1° | 0.0° |
| C18 | C22 | C21 | H23 | 180.0° | 180.0° |
| C18 | C22 | C21 | F02 | 179.8° | 180.0° |
| C22 | C18 | C07 | H08 | 177.4° | 150.0° |
| C22 | C18 | C07 | H09 | 63.6° | 30.0° |
| C22 | C18 | C08 | H10 | 179.9° | 180.0° |
| C19 | C20 | C21 | H22 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.1° | 0.2° |
| C19 | C20 | C21 | F02 | 179.8° | 179.8° |
| C20 | C19 | C08 | H10 | 179.9° | 179.8° |
| F01 | C19 | C20 | C21 | 180.0° | 180.0° |
| F01 | C19 | C20 | H22 | 0.0° | 0.2° |
| F01 | C19 | C08 | H10 | 0.1° | 0.2° |
| C20 | C21 | C22 | F02 | 179.7° | 180.0° |
| C20 | C21 | C22 | H23 | 179.8° | 180.0° |
| C22 | C21 | C20 | H22 | 179.9° | 180.0° |
| F02 | C21 | C20 | H22 | 0.3° | 0.0° |
| F02 | C21 | C22 | H23 | 0.1° | 0.0° |
| C24 | C23 | C25 | H24 | 117.8° | 119.9° |
| C23 | C24 | C32 | H25 | 120.9° | 120.0° |
| C23 | C24 | C32 | H26 | 120.9° | 120.0° |
| C24 | C23 | C25 | C26 | 43.0° | 159.1° |
| C24 | C23 | C13 | H15 | 40.7° | 57.8° |
| C24 | C23 | C13 | H14 | 76.8° | 62.1° |
| C23 | C24 | H25 | H26 | 117.2° | 120.0° |
| C24 | C23 | C25 | H28 | 164.2° | 81.0° |
| C24 | C23 | C25 | H27 | 78.3° | 39.1° |
| C23 | C24 | C32 | H37 | 180.0° | 173.6° |
| C23 | C24 | C32 | H38 | 60.0° | 53.6° |
| C23 | C24 | C32 | H39 | 60.0° | 66.5° |
| C25 | C23 | C24 | C32 | 56.3° | 171.4° |
| C23 | C25 | C26 | H28 | 121.2° | 120.0° |
| C23 | C25 | C26 | H27 | 121.2° | 120.0° |
| C25 | C23 | C13 | H15 | 166.4° | 62.2° |
| C25 | C23 | C13 | H14 | 49.0° | 177.9° |
| C25 | C23 | C24 | H25 | 177.2° | 68.6° |
| C25 | C23 | C24 | H26 | 64.6° | 51.4° |
| C23 | C25 | C26 | H31 | 180.0° | 51.6° |
| C23 | C25 | C26 | H29 | 60.0° | 68.5° |
| C23 | C25 | C26 | H30 | 60.0° | 171.6° |
| C23 | C25 | H28 | H27 | 116.2° | 120.0° |
| C32 | C24 | H25 | H26 | 117.2° | 120.0° |
| C32 | C24 | C23 | H24 | 174.1° | 51.4° |
| C24 | C32 | H37 | H38 | 120.0° | 120.0° |
| C24 | C32 | H37 | H39 | 120.0° | 120.0° |
| C24 | C32 | H38 | H39 | 120.0° | 120.0° |
| C25 | C26 | H31 | H29 | 120.0° | 120.1° |
| C25 | C26 | H31 | H30 | 120.0° | 120.0° |
| C25 | C26 | H29 | H30 | 120.0° | 120.0° |
| C26 | C25 | C23 | H24 | 74.9° | 39.2° |
| C26 | C25 | H28 | H27 | 116.2° | 120.0° |
| C28 | C27 | C31 | H33 | 119.1° | 118.4° |
| C28 | C27 | C31 | H32 | 119.1° | 118.1° |
| C27 | C28 | C29 | H35 | 118.2° | 119.7° |
| C27 | C28 | C29 | H34 | 118.3° | 118.3° |
| C27 | C28 | C29 | C30 | 24.5° | 16.9° |
| C28 | C27 | C31 | C30 | 40.9° | 25.8° |
| C28 | C27 | C31 | O08 | 71.7° | 92.6° |
| C27 | C28 | H35 | H34 | 124.9° | 121.8° |
| C28 | C27 | H33 | H32 | 122.6° | 123.5° |
| C28 | C27 | C31 | H36 | 157.7° | 145.3° |
| C31 | C27 | C28 | C29 | 40.4° | 25.8° |
| C27 | C31 | C30 | C29 | 26.1° | 16.7° |
| C27 | C31 | C30 | O08 | 121.1° | 118.7° |
| C27 | C31 | C30 | H36 | 116.5° | 119.2° |
| C27 | C31 | O08 | H36 | 129.8° | 122.1° |
| C31 | C27 | C28 | H35 | 158.7° | 145.1° |
| C31 | C27 | C28 | H34 | 77.9° | 92.8° |
| C31 | C27 | H33 | H32 | 122.6° | 123.1° |
| C27 | C31 | O08 | H42 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 1.1° | 0.1° |
| C29 | C28 | H35 | H34 | 124.9° | 122.0° |
| C28 | C29 | C12 | H13 | 0.8° | 0.0° |
| C29 | C28 | C27 | H33 | 159.5° | 144.6° |
| C29 | C28 | C27 | H32 | 78.7° | 91.9° |
| C29 | C30 | C31 | O08 | 95.0° | 102.0° |
| C30 | C29 | C28 | H35 | 142.8° | 136.6° |
| C30 | C29 | C28 | H34 | 93.7° | 101.4° |
| C29 | C30 | C09 | H11 | 179.5° | 179.5° |
| C30 | C29 | C12 | H13 | 179.4° | 179.5° |
| C29 | C30 | C31 | H36 | 142.5° | 135.9° |
| C30 | C31 | O08 | H36 | 121.6° | 122.4° |
| C31 | C30 | C09 | H11 | 0.4° | 0.1° |
| C30 | C31 | C27 | H33 | 160.0° | 144.2° |
| C30 | C31 | C27 | H32 | 78.2° | 92.4° |
| C30 | C31 | O08 | H42 | 71.4° | 64.5° |
| O08 | C31 | C27 | H33 | 47.4° | 25.8° |
| O08 | C31 | C27 | H32 | 169.1° | 149.3° |
| N01 | S01 | O01 | O02 | 121.4° | 122.9° |
| S01 | N01 | C13 | H15 | 112.3° | 155.7° |
| S01 | N01 | C13 | H14 | 5.2° | 35.7° |
| S01 | N01 | C01 | H01 | 3.6° | 145.0° |
| S01 | N01 | C01 | H02 | 122.9° | 25.0° |
| H12 | C10 | C09 | H11 | 0.1° | 0.2° |
| H15 | C13 | C23 | H24 | 76.4° | 177.7° |
| H14 | C13 | C23 | H24 | 166.2° | 57.8° |
| H17 | C15 | C04 | H04 | 34.0° | 22.9° |
| H17 | C15 | C16 | H19 | 39.9° | 2.9° |
| H17 | C15 | C16 | H18 | 81.9° | 118.1° |
| H20 | C17 | C04 | H04 | 81.6° | 151.4° |
| H20 | C17 | C06 | H06 | 52.0° | 22.5° |
| H20 | C17 | C06 | H07 | 71.4° | 143.4° |
| H21 | C17 | C04 | H04 | 42.0° | 28.2° |
| H21 | C17 | C06 | H06 | 175.6° | 100.8° |
| H21 | C17 | C06 | H07 | 52.2° | 20.1° |
| H25 | C24 | C23 | H24 | 65.0° | 171.4° |
| H25 | C24 | C32 | H37 | 59.1° | 66.4° |
| H25 | C24 | C32 | H38 | 179.1° | 173.6° |
| H25 | C24 | C32 | H39 | 60.9° | 53.5° |
| H26 | C24 | C23 | H24 | 53.2° | 68.6° |
| H26 | C24 | C32 | H37 | 59.1° | 53.6° |
| H26 | C24 | C32 | H38 | 60.9° | 66.4° |
| H26 | C24 | C32 | H39 | 179.1° | 173.5° |
| H31 | C26 | H29 | H30 | 120.0° | 120.0° |
| H31 | C26 | C25 | H28 | 58.8° | 68.3° |
| H31 | C26 | C25 | H27 | 58.8° | 171.6° |
| H29 | C26 | C25 | H28 | 178.8° | 171.6° |
| H29 | C26 | C25 | H27 | 61.2° | 51.5° |
| H30 | C26 | C25 | H28 | 61.2° | 51.6° |
| H30 | C26 | C25 | H27 | 178.8° | 68.4° |
| H35 | C28 | C27 | H33 | 82.2° | 96.2° |
| H35 | C28 | C27 | H32 | 39.5° | 27.3° |
| H34 | C28 | C27 | H33 | 41.3° | 25.9° |
| H34 | C28 | C27 | H32 | 163.0° | 149.4° |
| H01 | C01 | C14 | H16 | 166.6° | 65.0° |
| H02 | C01 | C14 | H16 | 74.1° | 175.0° |
| H03 | C02 | C07 | H08 | 175.4° | 175.0° |
| H03 | C02 | C07 | H09 | 65.5° | 65.0° |
| H03 | C02 | C14 | H16 | 74.4° | 65.0° |
| H03 | C02 | N02 | H40 | 172.4° | 145.0° |
| H04 | C04 | C05 | H05 | 17.5° | 34.6° |
| H16 | C14 | O03 | H41 | 60.1° | 180.0° |
| H24 | C23 | C25 | H28 | 46.3° | 159.2° |
| H24 | C23 | C25 | H27 | 163.9° | 80.8° |
| H33 | C27 | C31 | H36 | 83.2° | 96.2° |
| H32 | C27 | C31 | H36 | 38.6° | 27.2° |
| H36 | C31 | O08 | H42 | 50.2° | 57.9° |
| H37 | C32 | H38 | H39 | 120.0° | 120.0° |
