A1CNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C14 | sing | 1.53Å | 1.53Å | |
| C01 | N01 | sing | 1.46Å | 1.47Å | |
| C02 | C07 | sing | 1.53Å | 1.53Å | |
| C02 | C14 | sing | 1.53Å | 1.53Å | |
| C02 | N02 | sing | 1.47Å | 1.46Å | |
| C03 | N02 | sing | 1.35Å | 1.35Å | |
| C03 | O04 | doub | 1.22Å | 1.20Å | |
| C03 | O05 | sing | 1.35Å | 1.37Å | |
| C04 | C05 | sing | 1.56Å | 1.55Å | |
| C04 | C15 | sing | 1.54Å | 1.54Å | |
| C04 | C17 | sing | 1.55Å | 1.51Å | |
| C05 | O06 | sing | 1.44Å | 1.42Å | |
| C05 | O07 | sing | 1.43Å | 1.40Å | |
| C06 | C17 | sing | 1.54Å | 1.51Å | |
| C06 | O07 | sing | 1.43Å | 1.43Å | |
| C07 | C18 | sing | 1.51Å | 1.51Å | |
| C08 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | S01 | sing | 1.76Å | 1.79Å | |
| C12 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C23 | sing | 1.53Å | 1.54Å | |
| C13 | N01 | sing | 1.46Å | 1.48Å | |
| C14 | O03 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C15 | O05 | sing | 1.45Å | 1.43Å | |
| C16 | O06 | sing | 1.43Å | 1.40Å | |
| C18 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.54Å | 1.55Å | |
| C26 | C30 | sing | 1.54Å | 1.56Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C28 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | O08 | sing | 1.43Å | 1.41Å | |
| N01 | S01 | sing | 1.66Å | 1.70Å | |
| O01 | S01 | doub | 1.42Å | 1.46Å | |
| O02 | S01 | doub | 1.42Å | 1.46Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | 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 | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C06 | H07 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C07 | H09 | sing | 1.09Å | 1.10Å | |
| C07 | H08 | 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 | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| N02 | H38 | sing | 0.97Å | 1.00Å | |
| O03 | H39 | sing | 0.97Å | 0.95Å | |
| O08 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C01 | N01 | 114.9° | 109.5° |
| C01 | C14 | C02 | 111.6° | 109.5° |
| C01 | C14 | O03 | 108.3° | 109.5° |
| C14 | C01 | H02 | 108.1° | 109.5° |
| C14 | C01 | H01 | 108.1° | 109.5° |
| C01 | C14 | H16 | 108.8° | 109.5° |
| C01 | N01 | C13 | 119.5° | 120.0° |
| C01 | N01 | S01 | 116.4° | 120.0° |
| N01 | C01 | H02 | 108.1° | 109.5° |
| N01 | C01 | H01 | 108.1° | 109.5° |
| C07 | C02 | C14 | 116.2° | 109.5° |
| C07 | C02 | N02 | 107.9° | 109.5° |
| C02 | C07 | C18 | 111.8° | 109.5° |
| C07 | C02 | H03 | 107.9° | 109.4° |
| C02 | C07 | H09 | 108.9° | 109.4° |
| C02 | C07 | H08 | 108.9° | 109.5° |
| C14 | C02 | N02 | 107.9° | 109.5° |
| C02 | C14 | O03 | 108.8° | 109.5° |
| C14 | C02 | H03 | 107.9° | 109.5° |
| C02 | C14 | H16 | 108.8° | 109.5° |
| C02 | N02 | C03 | 126.2° | 120.0° |
| N02 | C02 | H03 | 108.8° | 109.5° |
| C02 | N02 | H38 | 116.9° | 120.0° |
| N02 | C03 | O04 | 126.2° | 120.0° |
| N02 | C03 | O05 | 107.9° | 120.0° |
| C03 | N02 | H38 | 116.9° | 120.0° |
| O04 | C03 | O05 | 125.9° | 120.0° |
| C03 | O05 | C15 | 118.3° | 117.0° |
| C05 | C04 | C15 | 104.7° | 102.7° |
| C05 | C04 | C17 | 103.1° | 101.2° |
| C04 | C05 | O06 | 105.1° | 104.0° |
| C04 | C05 | O07 | 109.3° | 105.1° |
| C05 | C04 | H04 | 111.3° | 114.2° |
| C04 | C05 | H05 | 109.0° | 112.7° |
| C15 | C04 | C17 | 113.9° | 108.9° |
| C04 | C15 | C16 | 98.3° | 104.8° |
| C04 | C15 | O05 | 112.9° | 110.4° |
| C04 | C15 | H17 | 110.9° | 110.5° |
| C15 | C04 | H04 | 111.5° | 113.9° |
| C04 | C17 | C06 | 105.4° | 102.6° |
| C04 | C17 | H21 | 110.5° | 110.8° |
| C04 | C17 | H20 | 110.5° | 110.8° |
| C17 | C04 | H04 | 111.9° | 114.7° |
| O06 | C05 | O07 | 111.1° | 108.8° |
| C05 | O06 | C16 | 107.0° | 107.9° |
| O06 | C05 | H05 | 110.9° | 112.6° |
| C05 | O07 | C06 | 109.5° | 110.4° |
| O07 | C05 | H05 | 111.3° | 113.0° |
| C17 | C06 | O07 | 106.4° | 107.6° |
| C06 | C17 | H21 | 110.5° | 110.8° |
| C06 | C17 | H20 | 110.5° | 110.9° |
| C17 | C06 | H07 | 110.2° | 109.8° |
| C17 | C06 | H06 | 110.2° | 109.8° |
| O07 | C06 | H07 | 110.2° | 109.8° |
| O07 | C06 | H06 | 110.2° | 109.8° |
| C07 | C18 | C08 | 120.3° | 120.0° |
| C07 | C18 | C22 | 121.6° | 120.0° |
| C18 | C07 | H09 | 108.9° | 109.5° |
| C18 | C07 | H08 | 108.9° | 109.5° |
| C18 | C08 | C19 | 121.0° | 120.0° |
| C08 | C18 | C22 | 118.1° | 120.0° |
| C18 | C08 | H10 | 119.5° | 120.0° |
| C08 | C19 | C20 | 120.2° | 120.0° |
| C19 | C08 | H10 | 119.5° | 120.0° |
| C08 | C19 | H22 | 119.9° | 120.0° |
| C10 | C09 | C29 | 118.8° | 120.2° |
| C09 | C10 | C11 | 119.8° | 119.9° |
| C09 | C10 | H12 | 120.1° | 120.0° |
| C10 | C09 | H11 | 120.6° | 119.9° |
| C09 | C29 | C28 | 120.8° | 119.9° |
| C09 | C29 | C30 | 131.6° | 130.4° |
| C29 | C09 | H11 | 120.6° | 119.9° |
| C10 | C11 | C12 | 122.8° | 120.0° |
| C10 | C11 | S01 | 118.0° | 120.0° |
| C11 | C10 | H12 | 120.1° | 120.1° |
| C12 | C11 | S01 | 119.1° | 120.0° |
| C11 | C12 | C28 | 117.9° | 120.2° |
| C11 | C12 | H13 | 121.1° | 119.9° |
| C11 | S01 | N01 | 107.3° | 107.2° |
| C11 | S01 | O01 | 107.2° | 106.4° |
| C11 | S01 | O02 | 107.5° | 106.4° |
| C12 | C28 | C27 | 131.6° | 130.4° |
| C12 | C28 | C29 | 119.8° | 119.9° |
| C28 | C12 | H13 | 121.0° | 120.0° |
| C23 | C13 | N01 | 113.2° | 109.5° |
| C13 | C23 | C24 | 107.4° | 109.5° |
| C13 | C23 | C25 | 109.9° | 109.5° |
| C23 | C13 | H14 | 108.5° | 109.5° |
| C23 | C13 | H15 | 108.5° | 109.5° |
| C13 | C23 | H26 | 109.8° | 109.5° |
| C13 | N01 | S01 | 117.2° | 120.0° |
| N01 | C13 | H14 | 108.5° | 109.5° |
| N01 | C13 | H15 | 108.5° | 109.5° |
| O03 | C14 | H16 | 110.4° | 109.5° |
| C14 | O03 | H39 | 109.5° | 114.0° |
| C16 | C15 | O05 | 110.2° | 110.4° |
| C15 | C16 | O06 | 104.2° | 107.4° |
| C16 | C15 | H17 | 111.1° | 110.4° |
| C15 | C16 | H19 | 110.8° | 109.9° |
| C15 | C16 | H18 | 110.8° | 109.9° |
| O05 | C15 | H17 | 112.7° | 110.3° |
| O06 | C16 | H19 | 110.8° | 109.8° |
| O06 | C16 | H18 | 110.8° | 109.9° |
| C18 | C22 | C21 | 120.8° | 120.0° |
| C18 | C22 | H25 | 119.6° | 120.0° |
| C19 | C20 | C21 | 119.2° | 120.0° |
| C19 | C20 | H23 | 120.4° | 120.0° |
| C20 | C19 | H22 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C21 | C20 | H23 | 120.4° | 120.0° |
| C20 | C21 | H24 | 119.7° | 119.9° |
| C22 | C21 | H24 | 119.6° | 120.0° |
| C21 | C22 | H25 | 119.6° | 120.0° |
| C24 | C23 | C25 | 109.9° | 109.5° |
| C23 | C24 | H28 | 109.5° | 109.5° |
| C23 | C24 | H27 | 109.5° | 109.5° |
| C23 | C24 | H29 | 109.5° | 109.5° |
| C24 | C23 | H26 | 109.9° | 109.5° |
| C25 | C23 | H26 | 110.0° | 109.5° |
| C23 | C25 | H32 | 109.5° | 109.5° |
| C23 | C25 | H30 | 109.5° | 109.5° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C27 | C26 | C30 | 99.8° | 102.4° |
| C26 | C27 | C28 | 95.3° | 105.2° |
| C27 | C26 | H34 | 111.8° | 110.8° |
| C27 | C26 | H33 | 111.8° | 110.8° |
| C26 | C27 | H36 | 112.9° | 110.4° |
| C26 | C27 | H35 | 112.9° | 110.3° |
| C26 | C30 | C29 | 95.9° | 105.2° |
| C26 | C30 | O08 | 111.4° | 110.3° |
| C30 | C26 | H34 | 111.8° | 110.9° |
| C30 | C26 | H33 | 111.9° | 110.9° |
| C26 | C30 | H37 | 110.1° | 110.3° |
| C27 | C28 | C29 | 108.6° | 109.7° |
| C28 | C27 | H36 | 112.9° | 110.3° |
| C28 | C27 | H35 | 112.9° | 110.3° |
| C28 | C29 | C30 | 107.6° | 109.8° |
| C29 | C30 | O08 | 115.4° | 110.3° |
| C29 | C30 | H37 | 110.4° | 110.3° |
| O08 | C30 | H37 | 112.4° | 110.3° |
| C30 | O08 | H40 | 109.5° | 114.0° |
| N01 | S01 | O01 | 107.9° | 106.4° |
| N01 | S01 | O02 | 107.7° | 106.4° |
| O01 | S01 | O02 | 118.8° | 123.2° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H21 | C17 | H20 | 109.4° | 110.7° |
| H28 | C24 | H27 | 109.5° | 109.5° |
| H28 | C24 | H29 | 109.4° | 109.5° |
| H27 | C24 | H29 | 109.5° | 109.5° |
| H34 | C26 | H33 | 109.5° | 110.8° |
| H02 | C01 | H01 | 109.5° | 109.4° |
| H07 | C06 | H06 | 109.4° | 109.9° |
| H09 | C07 | H08 | 109.5° | 109.4° |
| H19 | C16 | H18 | 109.5° | 109.9° |
| H32 | C25 | H30 | 109.4° | 109.4° |
| H32 | C25 | H31 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.4° |
| H36 | C27 | H35 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C01 | N01 | H02 | 120.8° | 120.0° |
| C14 | C01 | N01 | H01 | 120.8° | 120.0° |
| C01 | C14 | C02 | C07 | 74.2° | 65.0° |
| C01 | C14 | C02 | O03 | 119.5° | 120.0° |
| C01 | C14 | C02 | H16 | 120.2° | 120.0° |
| C01 | C14 | C02 | N02 | 164.5° | 175.0° |
| C14 | C01 | N01 | C13 | 101.9° | 83.8° |
| C01 | C14 | O03 | H16 | 119.1° | 120.0° |
| C14 | C01 | N01 | S01 | 107.9° | 96.1° |
| C14 | C01 | H02 | H01 | 117.5° | 120.0° |
| C01 | C14 | C02 | H03 | 47.1° | 55.0° |
| C01 | C14 | O03 | H39 | 180.0° | 60.0° |
| N01 | C01 | C14 | C02 | 71.9° | 175.0° |
| C01 | N01 | S01 | C11 | 98.2° | 90.0° |
| C01 | N01 | C13 | C23 | 74.7° | 86.9° |
| C01 | N01 | C13 | S01 | 149.9° | 179.9° |
| N01 | C01 | C14 | O03 | 168.3° | 65.0° |
| C01 | N01 | S01 | O01 | 17.1° | 156.4° |
| C01 | N01 | S01 | O02 | 146.4° | 23.5° |
| C01 | N01 | C13 | H14 | 45.9° | 33.2° |
| C01 | N01 | C13 | H15 | 164.8° | 153.1° |
| N01 | C01 | H02 | H01 | 117.6° | 120.0° |
| N01 | C01 | C14 | H16 | 48.3° | 55.0° |
| C07 | C02 | C14 | N02 | 121.3° | 120.0° |
| C07 | C02 | C14 | H03 | 121.3° | 120.0° |
| C07 | C02 | N02 | H03 | 116.9° | 119.9° |
| C07 | C02 | N02 | C03 | 129.2° | 84.9° |
| C02 | C07 | C18 | H09 | 120.3° | 120.0° |
| C02 | C07 | C18 | H08 | 120.3° | 120.0° |
| C02 | C07 | C18 | C08 | 69.5° | 90.0° |
| C07 | C02 | C14 | O03 | 45.3° | 55.0° |
| C02 | C07 | C18 | C22 | 111.5° | 90.0° |
| C02 | C07 | H09 | H08 | 118.9° | 119.9° |
| C07 | C02 | C14 | H16 | 165.6° | 175.0° |
| C07 | C02 | N02 | H38 | 50.8° | 95.0° |
| C14 | C02 | N02 | H03 | 116.8° | 120.1° |
| C14 | C02 | N02 | C03 | 104.5° | 155.0° |
| C14 | C02 | C07 | C18 | 177.7° | 175.0° |
| C02 | C14 | O03 | H16 | 119.4° | 120.0° |
| C02 | C14 | C01 | H02 | 48.9° | 55.0° |
| C02 | C14 | C01 | H01 | 167.3° | 65.0° |
| C14 | C02 | C07 | H09 | 57.4° | 65.0° |
| C14 | C02 | C07 | H08 | 61.9° | 55.0° |
| C14 | C02 | N02 | H38 | 75.5° | 25.0° |
| C02 | C14 | O03 | H39 | 58.4° | 60.1° |
| C02 | N02 | C03 | H38 | 180.0° | 180.0° |
| C02 | N02 | C03 | O04 | 11.0° | 0.0° |
| C02 | N02 | C03 | O05 | 168.6° | 180.0° |
| N02 | C02 | C07 | C18 | 56.5° | 65.0° |
| N02 | C02 | C14 | O03 | 75.9° | 65.0° |
| N02 | C02 | C07 | H09 | 63.9° | 55.0° |
| N02 | C02 | C07 | H08 | 176.8° | 175.0° |
| N02 | C02 | C14 | H16 | 44.4° | 55.0° |
| N02 | C03 | O04 | O05 | 179.5° | 180.0° |
| N02 | C03 | O05 | C15 | 161.8° | 180.0° |
| C03 | N02 | C02 | H03 | 12.3° | 35.0° |
| O04 | C03 | O05 | C15 | 18.7° | 0.0° |
| O04 | C03 | N02 | H38 | 169.0° | 180.0° |
| C03 | O05 | C15 | C04 | 93.9° | 153.2° |
| C03 | O05 | C15 | C16 | 157.4° | 91.4° |
| C03 | O05 | C15 | H17 | 32.7° | 30.8° |
| O05 | C03 | N02 | H38 | 11.4° | 0.0° |
| C05 | C04 | C15 | C17 | 111.8° | 106.7° |
| C05 | C04 | C15 | H04 | 120.4° | 124.0° |
| C05 | C04 | C17 | H04 | 119.7° | 123.4° |
| C04 | C05 | O06 | O07 | 118.1° | 111.7° |
| C04 | C05 | O06 | H05 | 117.7° | 122.3° |
| C04 | C05 | O07 | H05 | 120.5° | 123.3° |
| C05 | C04 | C17 | C06 | 17.4° | 33.1° |
| C04 | C05 | O07 | C06 | 12.2° | 22.9° |
| C05 | C04 | C15 | C16 | 27.6° | 17.7° |
| C05 | C04 | C15 | O05 | 88.5° | 136.5° |
| C04 | C05 | O06 | C16 | 24.8° | 36.9° |
| C05 | C04 | C15 | H17 | 144.0° | 101.2° |
| C05 | C04 | C17 | H21 | 136.8° | 85.1° |
| C05 | C04 | C17 | H20 | 102.0° | 151.6° |
| C15 | C04 | C17 | H04 | 127.5° | 128.8° |
| C15 | C04 | C05 | O06 | 3.8° | 33.0° |
| C15 | C04 | C05 | O07 | 115.5° | 147.3° |
| C15 | C04 | C17 | C06 | 95.4° | 140.9° |
| C04 | C15 | C16 | O05 | 118.1° | 118.8° |
| C04 | C15 | C16 | H17 | 116.3° | 118.9° |
| C04 | C15 | O05 | H17 | 126.6° | 122.4° |
| C04 | C15 | C16 | O06 | 43.7° | 3.5° |
| C15 | C04 | C17 | H21 | 24.0° | 22.6° |
| C15 | C04 | C17 | H20 | 145.2° | 100.7° |
| C15 | C04 | C05 | H05 | 122.7° | 89.2° |
| C04 | C15 | C16 | H19 | 75.4° | 116.0° |
| C04 | C15 | C16 | H18 | 162.9° | 123.0° |
| C17 | C04 | C05 | O06 | 123.2° | 79.4° |
| C17 | C04 | C05 | O07 | 3.9° | 34.9° |
| C04 | C17 | C06 | H21 | 119.4° | 118.3° |
| C04 | C17 | C06 | H20 | 119.4° | 118.4° |
| C04 | C17 | C06 | O07 | 25.3° | 21.3° |
| C17 | C04 | C15 | C16 | 139.4° | 89.0° |
| C17 | C04 | C15 | O05 | 23.4° | 29.8° |
| C17 | C04 | C15 | H17 | 104.2° | 152.1° |
| C04 | C17 | H21 | H20 | 121.8° | 123.3° |
| C17 | C04 | C05 | H05 | 117.9° | 158.3° |
| C04 | C17 | C06 | H07 | 94.2° | 140.8° |
| C04 | C17 | C06 | H06 | 144.9° | 98.2° |
| O06 | C05 | O07 | H05 | 124.0° | 125.8° |
| O06 | C05 | O07 | C06 | 103.3° | 88.1° |
| C05 | O06 | C16 | C15 | 44.5° | 25.6° |
| O06 | C05 | C04 | H04 | 116.7° | 156.8° |
| C05 | O06 | C16 | H19 | 74.7° | 93.8° |
| C05 | O06 | C16 | H18 | 163.7° | 145.1° |
| C05 | O07 | C06 | C17 | 23.5° | 1.0° |
| O07 | C05 | O06 | C16 | 142.9° | 148.6° |
| O07 | C05 | C04 | H04 | 124.0° | 88.9° |
| C05 | O07 | C06 | H07 | 96.1° | 118.6° |
| C05 | O07 | C06 | H06 | 143.0° | 120.5° |
| C17 | C06 | O07 | H07 | 119.5° | 119.5° |
| C17 | C06 | O07 | H06 | 119.5° | 119.5° |
| C06 | C17 | H21 | H20 | 121.9° | 123.5° |
| C06 | C17 | C04 | H04 | 137.1° | 90.3° |
| C17 | C06 | H07 | H06 | 121.4° | 120.9° |
| O07 | C06 | C17 | H21 | 144.7° | 97.0° |
| O07 | C06 | C17 | H20 | 94.0° | 139.7° |
| C06 | O07 | C05 | H05 | 132.7° | 146.2° |
| O07 | C06 | H07 | H06 | 121.4° | 120.9° |
| C07 | C18 | C08 | C22 | 179.1° | 180.0° |
| C07 | C18 | C08 | C19 | 179.8° | 179.7° |
| C07 | C18 | C22 | C21 | 179.6° | 180.0° |
| C07 | C18 | C22 | H25 | 0.4° | 0.0° |
| C18 | C07 | C02 | H03 | 61.0° | 55.0° |
| C18 | C07 | H09 | H08 | 119.0° | 120.0° |
| C07 | C18 | C08 | H10 | 0.2° | 0.0° |
| C18 | C08 | C19 | H10 | 180.0° | 179.7° |
| C18 | C08 | C19 | C20 | 0.2° | 0.5° |
| C08 | C18 | C22 | C21 | 1.3° | 0.0° |
| C08 | C18 | C22 | H25 | 178.7° | 180.0° |
| C08 | C18 | C07 | H09 | 170.2° | 30.0° |
| C08 | C18 | C07 | H08 | 50.9° | 150.0° |
| C18 | C08 | C19 | H22 | 179.8° | 180.0° |
| C19 | C08 | C18 | C22 | 0.7° | 0.2° |
| C08 | C19 | C20 | H22 | 180.0° | 179.4° |
| C08 | C19 | C20 | C21 | 0.5° | 0.6° |
| C08 | C19 | C20 | H23 | 179.5° | 179.8° |
| C10 | C09 | C29 | H11 | 180.0° | 180.0° |
| C09 | C10 | C11 | H12 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 1.5° | 0.2° |
| C09 | C10 | C11 | S01 | 179.5° | 179.7° |
| C10 | C09 | C29 | C28 | 0.4° | 0.5° |
| C10 | C09 | C29 | C30 | 179.3° | 179.6° |
| C29 | C09 | C10 | C11 | 1.3° | 0.0° |
| C09 | C29 | C28 | C12 | 0.4° | 0.8° |
| C09 | C29 | C30 | C26 | 147.2° | 162.0° |
| C09 | C29 | C28 | C27 | 180.0° | 179.2° |
| C09 | C29 | C28 | C30 | 179.8° | 179.2° |
| C09 | C29 | C30 | O08 | 95.7° | 43.0° |
| C29 | C09 | C10 | H12 | 178.7° | 179.8° |
| C09 | C29 | C30 | H37 | 33.1° | 79.1° |
| C10 | C11 | C12 | S01 | 179.0° | 179.9° |
| C10 | C11 | C12 | C28 | 0.7° | 0.1° |
| C10 | C11 | S01 | N01 | 83.1° | 90.1° |
| C10 | C11 | S01 | O01 | 161.2° | 156.4° |
| C10 | C11 | S01 | O02 | 32.5° | 23.5° |
| C11 | C10 | C09 | H11 | 178.7° | 180.0° |
| C10 | C11 | C12 | H13 | 179.3° | 180.0° |
| C11 | C12 | C28 | H13 | 180.0° | 180.0° |
| C11 | C12 | C28 | C27 | 179.7° | 179.4° |
| C11 | C12 | C28 | C29 | 0.3° | 0.5° |
| C12 | C11 | S01 | N01 | 97.8° | 90.1° |
| C12 | C11 | S01 | O01 | 17.8° | 23.4° |
| C12 | C11 | S01 | O02 | 146.6° | 156.4° |
| C12 | C11 | C10 | H12 | 178.5° | 180.0° |
| S01 | C11 | C12 | C28 | 179.7° | 180.0° |
| C11 | S01 | N01 | C13 | 52.7° | 90.0° |
| C11 | S01 | N01 | O01 | 115.2° | 113.5° |
| C11 | S01 | N01 | O02 | 115.5° | 113.5° |
| C11 | S01 | O01 | O02 | 121.9° | 123.0° |
| S01 | C11 | C10 | H12 | 0.5° | 0.1° |
| S01 | C11 | C12 | H13 | 0.4° | 0.1° |
| C12 | C28 | C27 | C26 | 147.4° | 162.8° |
| C12 | C28 | C27 | C29 | 179.5° | 180.0° |
| C12 | C28 | C29 | C30 | 179.8° | 180.0° |
| C12 | C28 | C27 | H36 | 95.0° | 43.9° |
| C12 | C28 | C27 | H35 | 29.8° | 78.2° |
| C23 | C13 | N01 | H14 | 120.5° | 120.1° |
| C23 | C13 | N01 | H15 | 120.6° | 120.0° |
| C13 | C23 | C24 | C25 | 119.5° | 120.0° |
| C13 | C23 | C24 | H26 | 119.3° | 120.0° |
| C13 | C23 | C25 | H26 | 121.0° | 120.0° |
| C23 | C13 | N01 | S01 | 135.4° | 93.2° |
| C23 | C13 | H14 | H15 | 118.3° | 120.0° |
| C13 | C23 | C24 | H28 | 180.0° | 60.0° |
| C13 | C23 | C24 | H27 | 60.0° | 180.0° |
| C13 | C23 | C24 | H29 | 60.0° | 60.0° |
| C13 | C23 | C25 | H32 | 180.0° | 67.6° |
| C13 | C23 | C25 | H30 | 60.0° | 172.4° |
| C13 | C23 | C25 | H31 | 60.0° | 52.5° |
| N01 | C13 | C23 | C24 | 174.4° | 173.9° |
| N01 | C13 | C23 | C25 | 66.1° | 66.1° |
| C13 | N01 | S01 | O01 | 167.9° | 23.5° |
| C13 | N01 | S01 | O02 | 62.8° | 156.4° |
| N01 | C13 | H14 | H15 | 118.3° | 120.0° |
| C13 | N01 | C01 | H02 | 137.3° | 36.2° |
| C13 | N01 | C01 | H01 | 18.9° | 156.1° |
| N01 | C13 | C23 | H26 | 54.9° | 53.9° |
| O03 | C14 | C01 | H02 | 70.9° | 175.0° |
| O03 | C14 | C01 | H01 | 47.5° | 55.0° |
| O03 | C14 | C02 | H03 | 166.6° | 175.0° |
| C16 | C15 | O05 | H17 | 124.6° | 122.3° |
| C15 | C16 | O06 | H19 | 119.2° | 119.5° |
| C15 | C16 | O06 | H18 | 119.2° | 119.5° |
| C16 | C15 | C04 | H04 | 92.8° | 141.7° |
| C15 | C16 | H19 | H18 | 122.5° | 121.0° |
| O05 | C15 | C16 | O06 | 74.4° | 115.4° |
| O05 | C15 | C04 | H04 | 151.1° | 99.5° |
| O05 | C15 | C16 | H19 | 166.4° | 125.2° |
| O05 | C15 | C16 | H18 | 44.7° | 4.1° |
| O06 | C16 | C15 | H17 | 160.0° | 122.4° |
| C16 | O06 | C05 | H05 | 92.8° | 85.4° |
| O06 | C16 | H19 | H18 | 122.4° | 121.0° |
| C18 | C22 | C21 | C20 | 1.0° | 0.0° |
| C18 | C22 | C21 | H25 | 180.0° | 180.0° |
| C18 | C22 | C21 | H24 | 179.1° | 179.9° |
| C22 | C18 | C07 | H09 | 8.9° | 150.0° |
| C22 | C18 | C07 | H08 | 128.2° | 30.0° |
| C22 | C18 | C08 | H10 | 179.3° | 180.0° |
| C19 | C20 | C21 | H23 | 180.0° | 179.6° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H24 | 180.0° | 179.8° |
| C20 | C19 | C08 | H10 | 179.8° | 179.7° |
| C20 | C21 | C22 | H24 | 180.0° | 179.9° |
| C20 | C21 | C22 | H25 | 179.0° | 180.0° |
| C21 | C20 | C19 | H22 | 179.5° | 180.0° |
| C22 | C21 | C20 | H23 | 180.0° | 180.0° |
| C24 | C23 | C25 | H26 | 121.1° | 120.0° |
| C24 | C23 | C13 | H14 | 53.8° | 66.0° |
| C24 | C23 | C13 | H15 | 65.0° | 53.9° |
| C23 | C24 | H28 | H27 | 120.0° | 120.0° |
| C23 | C24 | H28 | H29 | 120.0° | 120.0° |
| C23 | C24 | H27 | H29 | 120.0° | 120.0° |
| C24 | C23 | C25 | H32 | 62.1° | 172.4° |
| C24 | C23 | C25 | H30 | 177.9° | 52.4° |
| C24 | C23 | C25 | H31 | 57.9° | 67.5° |
| C25 | C23 | C13 | H14 | 173.3° | 54.0° |
| C25 | C23 | C13 | H15 | 54.4° | 173.9° |
| C25 | C23 | C24 | H28 | 60.5° | 60.0° |
| C25 | C23 | C24 | H27 | 59.5° | 60.0° |
| C25 | C23 | C24 | H29 | 179.5° | 180.0° |
| C23 | C25 | H32 | H30 | 120.0° | 120.0° |
| C23 | C25 | H32 | H31 | 120.0° | 120.1° |
| C23 | C25 | H30 | H31 | 120.0° | 120.0° |
| C27 | C26 | C30 | H34 | 118.4° | 118.2° |
| C27 | C26 | C30 | H33 | 118.4° | 118.2° |
| C26 | C27 | C28 | H36 | 117.6° | 119.0° |
| C26 | C27 | C28 | H35 | 117.6° | 118.9° |
| C26 | C27 | C28 | C29 | 33.1° | 17.2° |
| C27 | C26 | C30 | C29 | 53.3° | 26.3° |
| C27 | C26 | C30 | O08 | 66.9° | 145.3° |
| C27 | C26 | H34 | H33 | 124.5° | 123.4° |
| C26 | C27 | H36 | H35 | 126.7° | 122.2° |
| C27 | C26 | C30 | H37 | 167.6° | 92.6° |
| C30 | C26 | C27 | C28 | 52.9° | 26.3° |
| C26 | C30 | C29 | C28 | 32.6° | 17.2° |
| C26 | C30 | C29 | O08 | 117.1° | 119.0° |
| C26 | C30 | C29 | H37 | 114.1° | 118.9° |
| C26 | C30 | O08 | H37 | 124.2° | 122.1° |
| C30 | C26 | H34 | H33 | 124.5° | 123.6° |
| C30 | C26 | C27 | H36 | 64.6° | 145.2° |
| C30 | C26 | C27 | H35 | 170.5° | 92.6° |
| C26 | C30 | O08 | H40 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C28 | C27 | C26 | H34 | 65.5° | 144.6° |
| C28 | C27 | C26 | H33 | 171.4° | 91.9° |
| C27 | C28 | C12 | H13 | 0.2° | 0.5° |
| C28 | C27 | H36 | H35 | 126.7° | 122.0° |
| C28 | C29 | C30 | O08 | 84.6° | 136.1° |
| C28 | C29 | C09 | H11 | 179.6° | 179.5° |
| C29 | C28 | C12 | H13 | 179.7° | 179.5° |
| C29 | C28 | C27 | H36 | 84.5° | 136.1° |
| C29 | C28 | C27 | H35 | 150.7° | 101.8° |
| C28 | C29 | C30 | H37 | 146.6° | 101.7° |
| C29 | C30 | O08 | H37 | 127.8° | 122.1° |
| C29 | C30 | C26 | H34 | 65.1° | 144.6° |
| C29 | C30 | C26 | H33 | 171.7° | 91.9° |
| C30 | C29 | C09 | H11 | 0.7° | 0.4° |
| C29 | C30 | O08 | H40 | 72.1° | 64.2° |
| O08 | C30 | C26 | H34 | 174.7° | 96.5° |
| O08 | C30 | C26 | H33 | 51.5° | 27.1° |
| N01 | S01 | O01 | O02 | 122.8° | 123.0° |
| S01 | N01 | C13 | H14 | 104.1° | 146.7° |
| S01 | N01 | C13 | H15 | 14.8° | 26.8° |
| S01 | N01 | C01 | H02 | 12.9° | 143.9° |
| S01 | N01 | C01 | H01 | 131.3° | 24.0° |
| H12 | C10 | C09 | H11 | 1.3° | 0.2° |
| H14 | C13 | C23 | H26 | 65.6° | 174.0° |
| H15 | C13 | C23 | H26 | 175.5° | 66.1° |
| H17 | C15 | C04 | H04 | 23.6° | 22.8° |
| H17 | C15 | C16 | H19 | 40.8° | 2.9° |
| H17 | C15 | C16 | H18 | 80.8° | 118.1° |
| H21 | C17 | C04 | H04 | 103.6° | 151.4° |
| H21 | C17 | C06 | H07 | 25.2° | 22.6° |
| H21 | C17 | C06 | H06 | 95.8° | 143.5° |
| H20 | C17 | C04 | H04 | 17.7° | 28.2° |
| H20 | C17 | C06 | H07 | 146.4° | 100.8° |
| H20 | C17 | C06 | H06 | 25.5° | 20.1° |
| H23 | C20 | C21 | H24 | 0.0° | 0.2° |
| H23 | C20 | C19 | H22 | 0.5° | 0.3° |
| H24 | C21 | C22 | H25 | 0.9° | 0.1° |
| H28 | C24 | H27 | H29 | 120.0° | 120.0° |
| H28 | C24 | C23 | H26 | 60.6° | NaN° |
| H27 | C24 | C23 | H26 | 179.3° | 60.0° |
| H29 | C24 | C23 | H26 | 59.3° | 60.0° |
| H34 | C26 | C27 | H36 | 177.0° | 96.5° |
| H34 | C26 | C27 | H35 | 52.1° | 25.7° |
| H34 | C26 | C30 | H37 | 49.2° | 25.7° |
| H33 | C26 | C27 | H36 | 53.8° | 27.0° |
| H33 | C26 | C27 | H35 | 71.0° | 149.2° |
| H33 | C26 | C30 | H37 | 74.0° | 149.2° |
| H02 | C01 | C14 | H16 | 169.0° | 65.0° |
| H01 | C01 | C14 | H16 | 72.5° | 175.0° |
| H03 | C02 | C07 | H09 | 178.7° | 175.0° |
| H03 | C02 | C07 | H08 | 59.4° | 65.1° |
| H03 | C02 | C14 | H16 | 73.0° | 65.0° |
| H03 | C02 | N02 | H38 | 167.7° | 145.0° |
| H04 | C04 | C05 | H05 | 2.2° | 34.6° |
| H10 | C08 | C19 | H22 | 0.2° | 0.3° |
| H16 | C14 | O03 | H39 | 60.9° | 180.0° |
| H26 | C23 | C25 | H32 | 59.0° | 52.4° |
| H26 | C23 | C25 | H30 | 61.0° | 67.6° |
| H26 | C23 | C25 | H31 | 179.0° | 172.5° |
| H32 | C25 | H30 | H31 | 120.0° | 119.9° |
| H37 | C30 | O08 | H40 | 55.8° | 57.8° |
