E4S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C13 | doub | 1.31Å | 1.33Å | Aromatic |
| N02 | C10 | sing | 1.36Å | 1.49Å | Aromatic |
| N03 | C13 | sing | 1.38Å | 1.45Å | |
| C13 | N04 | sing | 1.37Å | 1.30Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.39Å | Aromatic |
| N04 | C09 | sing | 1.39Å | 1.29Å | Aromatic |
| N04 | C14 | sing | 1.40Å | 1.45Å | |
| C15 | C14 | doub | 1.39Å | 1.31Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.51Å | Aromatic |
| C12 | C07 | doub | 1.40Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.52Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.30Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.37Å | Aromatic |
| C07 | C05 | sing | 1.48Å | 1.52Å | |
| C06 | C05 | doub | 1.39Å | 1.31Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.47Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.50Å | Aromatic |
| C17 | N05 | sing | 1.40Å | 1.43Å | |
| C17 | C18 | sing | 1.39Å | 1.52Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.30Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | O02 | sing | 1.43Å | 1.40Å | |
| N01 | C02 | doub | 1.32Å | 1.27Å | Aromatic |
| C23 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | C20 | sing | 1.47Å | 1.43Å | |
| C04 | C03 | doub | 1.38Å | 1.28Å | Aromatic |
| O02 | C21 | sing | 1.43Å | 1.40Å | |
| C02 | C03 | sing | 1.39Å | 1.53Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.39Å | |
| C03 | S01 | sing | 1.76Å | 1.80Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| O01 | C01 | sing | 1.43Å | 1.39Å | |
| O03 | S01 | doub | 1.42Å | 1.46Å | |
| S01 | N06 | sing | 1.66Å | 1.71Å | |
| S01 | O04 | doub | 1.42Å | 1.46Å | |
| N06 | C24 | sing | 1.40Å | 1.43Å | |
| C25 | C24 | doub | 1.39Å | 1.31Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.52Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.31Å | Aromatic |
| C29 | F01 | sing | 1.35Å | 1.37Å | |
| C29 | C28 | doub | 1.38Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.53Å | Aromatic |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | H05 | sing | 1.08Å | 1.08Å | |
| C08 | H06 | sing | 1.08Å | 1.08Å | |
| C11 | H08 | sing | 1.08Å | 1.08Å | |
| C12 | H07 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| N03 | H09 | sing | 0.97Å | 1.00Å | |
| N03 | H10 | sing | 0.97Å | 1.00Å | |
| N06 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N02 | C10 | 102.4° | 109.7° |
| N02 | C13 | N03 | 120.9° | 125.1° |
| N02 | C13 | N04 | 107.6° | 109.9° |
| N02 | C10 | C11 | 131.3° | 133.2° |
| N02 | C10 | C09 | 109.4° | 107.1° |
| N03 | C13 | N04 | 131.5° | 125.1° |
| C13 | N03 | H09 | 109.5° | 120.0° |
| C13 | N03 | H10 | 109.5° | 120.0° |
| C13 | N04 | C09 | 120.2° | 107.2° |
| C13 | N04 | C14 | 119.8° | 126.4° |
| C10 | C11 | C12 | 118.7° | 120.1° |
| C11 | C10 | C09 | 119.3° | 119.7° |
| C10 | C11 | H08 | 120.6° | 119.9° |
| C11 | C12 | C07 | 121.8° | 120.5° |
| C12 | C11 | H08 | 120.6° | 120.0° |
| C11 | C12 | H07 | 119.1° | 119.7° |
| C10 | C09 | N04 | 100.4° | 106.2° |
| C10 | C09 | C08 | 123.0° | 119.9° |
| C09 | N04 | C14 | 120.0° | 126.5° |
| N04 | C09 | C08 | 136.6° | 133.9° |
| N04 | C14 | C15 | 120.9° | 120.0° |
| N04 | C14 | C19 | 119.4° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C15 | C14 | C19 | 119.7° | 120.0° |
| C14 | C15 | H11 | 120.1° | 120.0° |
| C15 | C16 | C17 | 119.4° | 120.0° |
| C16 | C15 | H11 | 120.2° | 120.0° |
| C15 | C16 | H13 | 120.3° | 120.0° |
| C12 | C07 | C08 | 118.4° | 120.1° |
| C12 | C07 | C05 | 124.6° | 119.9° |
| C07 | C12 | H07 | 119.1° | 119.7° |
| C09 | C08 | C07 | 118.8° | 119.7° |
| C09 | C08 | H06 | 120.6° | 120.2° |
| C14 | C19 | C18 | 121.6° | 120.0° |
| C14 | C19 | H12 | 119.2° | 120.0° |
| C16 | C17 | N05 | 120.5° | 120.0° |
| C16 | C17 | C18 | 122.1° | 120.0° |
| C17 | C16 | H13 | 120.3° | 120.0° |
| C08 | C07 | C05 | 117.0° | 120.0° |
| C07 | C08 | H06 | 120.6° | 120.2° |
| C07 | C05 | C06 | 118.9° | 120.5° |
| C07 | C05 | C04 | 121.3° | 120.5° |
| C05 | C06 | N01 | 120.6° | 120.7° |
| C06 | C05 | C04 | 119.4° | 119.0° |
| C05 | C06 | H05 | 119.7° | 119.6° |
| C06 | N01 | C02 | 120.1° | 121.8° |
| N01 | C06 | H05 | 119.7° | 119.7° |
| C05 | C04 | C03 | 119.5° | 118.4° |
| C05 | C04 | H04 | 120.2° | 120.7° |
| N05 | C17 | C18 | 117.4° | 120.0° |
| C17 | N05 | C23 | 120.7° | 111.0° |
| C17 | N05 | C20 | 119.4° | 111.0° |
| C17 | C18 | C19 | 117.5° | 120.0° |
| C17 | C18 | H14 | 121.3° | 120.0° |
| C19 | C18 | H14 | 121.3° | 120.0° |
| C18 | C19 | H12 | 119.2° | 120.0° |
| C23 | C22 | O02 | 112.8° | 109.3° |
| C22 | C23 | N05 | 107.0° | 109.3° |
| C23 | C22 | H22 | 108.6° | 109.5° |
| C23 | C22 | H21 | 108.6° | 109.5° |
| C22 | C23 | H17 | 110.1° | 109.5° |
| C22 | C23 | H18 | 110.1° | 109.5° |
| C22 | O02 | C21 | 115.1° | 113.7° |
| O02 | C22 | H22 | 108.7° | 109.5° |
| O02 | C22 | H21 | 108.7° | 109.5° |
| N01 | C02 | C03 | 119.9° | 120.9° |
| N01 | C02 | O01 | 116.5° | 119.6° |
| C23 | N05 | C20 | 119.5° | 110.7° |
| N05 | C23 | H17 | 110.1° | 109.5° |
| N05 | C23 | H18 | 110.1° | 109.5° |
| N05 | C20 | C21 | 107.2° | 109.3° |
| N05 | C20 | H15 | 110.1° | 109.5° |
| N05 | C20 | H16 | 110.0° | 109.6° |
| C04 | C03 | C02 | 120.2° | 119.2° |
| C04 | C03 | S01 | 117.9° | 120.4° |
| C03 | C04 | H04 | 120.3° | 120.9° |
| O02 | C21 | C20 | 110.3° | 109.3° |
| O02 | C21 | H20 | 109.2° | 109.5° |
| O02 | C21 | H19 | 109.3° | 109.6° |
| C03 | C02 | O01 | 123.6° | 119.5° |
| C02 | C03 | S01 | 121.9° | 120.4° |
| C02 | O01 | C01 | 114.2° | 117.0° |
| C03 | S01 | O03 | 110.4° | 106.4° |
| C03 | S01 | N06 | 110.2° | 107.2° |
| C03 | S01 | O04 | 110.2° | 106.4° |
| C21 | C20 | H15 | 110.0° | 109.5° |
| C21 | C20 | H16 | 110.1° | 109.5° |
| C20 | C21 | H20 | 109.3° | 109.5° |
| C20 | C21 | H19 | 109.3° | 109.5° |
| O01 | C01 | H03 | 109.5° | 109.5° |
| O01 | C01 | H02 | 109.5° | 109.4° |
| O01 | C01 | H01 | 109.5° | 109.5° |
| O03 | S01 | N06 | 113.0° | 106.4° |
| O03 | S01 | O04 | 102.6° | 123.1° |
| N06 | S01 | O04 | 110.1° | 106.4° |
| S01 | N06 | C24 | 114.7° | 120.0° |
| S01 | N06 | H23 | 108.2° | 120.0° |
| N06 | C24 | C25 | 119.3° | 120.0° |
| N06 | C24 | C29 | 119.4° | 120.1° |
| C24 | N06 | H23 | 108.2° | 120.0° |
| C24 | C25 | C26 | 119.5° | 119.9° |
| C25 | C24 | C29 | 121.2° | 119.9° |
| C24 | C25 | H24 | 120.3° | 120.1° |
| C25 | C26 | C27 | 119.9° | 120.1° |
| C26 | C25 | H24 | 120.2° | 120.0° |
| C25 | C26 | H25 | 120.0° | 119.9° |
| C24 | C29 | F01 | 119.3° | 120.1° |
| C24 | C29 | C28 | 119.2° | 119.9° |
| C26 | C27 | C28 | 120.2° | 120.2° |
| C27 | C26 | H25 | 120.0° | 119.9° |
| C26 | C27 | H26 | 119.9° | 119.9° |
| F01 | C29 | C28 | 121.5° | 120.1° |
| C29 | C28 | C27 | 119.9° | 120.1° |
| C29 | C28 | H27 | 120.1° | 120.0° |
| C28 | C27 | H26 | 119.9° | 119.9° |
| C27 | C28 | H27 | 120.0° | 120.0° |
| H03 | C01 | H02 | 109.5° | 109.4° |
| H03 | C01 | H01 | 109.5° | 109.5° |
| H02 | C01 | H01 | 109.5° | 109.6° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H20 | C21 | H19 | 109.5° | 109.5° |
| H22 | C22 | H21 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H09 | N03 | H10 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C13 | N03 | N04 | 179.3° | 179.9° |
| C13 | N02 | C10 | C11 | 179.4° | 180.0° |
| C13 | N02 | C10 | C09 | 0.1° | 0.0° |
| N02 | C13 | N04 | C09 | 1.2° | 0.0° |
| N02 | C13 | N04 | C14 | 178.6° | 180.0° |
| N02 | C13 | N03 | H09 | 0.0° | 180.0° |
| N02 | C13 | N03 | H10 | 120.0° | 0.0° |
| C10 | N02 | C13 | N03 | 179.9° | 180.0° |
| C10 | N02 | C13 | N04 | 0.6° | 0.0° |
| N02 | C10 | C11 | C09 | 179.3° | 180.0° |
| N02 | C10 | C11 | C12 | 179.5° | 179.7° |
| N02 | C10 | C09 | N04 | 0.7° | 0.0° |
| N02 | C10 | C09 | C08 | 180.0° | 180.0° |
| N02 | C10 | C11 | H08 | 0.5° | 0.0° |
| N03 | C13 | N04 | C09 | 179.4° | 180.0° |
| N03 | C13 | N04 | C14 | 2.0° | 0.0° |
| C13 | N03 | H09 | H10 | 120.0° | 180.0° |
| C13 | N04 | C09 | C10 | 1.2° | 0.0° |
| C13 | N04 | C09 | C14 | 177.3° | 180.0° |
| C13 | N04 | C14 | C15 | 50.1° | 114.7° |
| C13 | N04 | C09 | C08 | 179.6° | 179.9° |
| C13 | N04 | C14 | C19 | 127.0° | 65.0° |
| N04 | C13 | N03 | H09 | 179.4° | 0.1° |
| N04 | C13 | N03 | H10 | 60.7° | 180.0° |
| C10 | C11 | C12 | H08 | 180.0° | 179.7° |
| C11 | C10 | C09 | N04 | 179.9° | 180.0° |
| C10 | C11 | C12 | C07 | 0.3° | 0.6° |
| C11 | C10 | C09 | C08 | 0.6° | 0.1° |
| C10 | C11 | C12 | H07 | 179.7° | 180.0° |
| C12 | C11 | C10 | C09 | 0.3° | 0.3° |
| C11 | C12 | C07 | H07 | 180.0° | 179.5° |
| C11 | C12 | C07 | C08 | 0.7° | 0.6° |
| C11 | C12 | C07 | C05 | 180.0° | 179.7° |
| C10 | C09 | N04 | C08 | 179.2° | 179.9° |
| C10 | C09 | N04 | C14 | 178.5° | 180.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.0° |
| C10 | C09 | C08 | H06 | 179.8° | 180.0° |
| C09 | C10 | C11 | H08 | 179.7° | 179.9° |
| C09 | N04 | C14 | C15 | 132.5° | 65.3° |
| C09 | N04 | C14 | C19 | 50.3° | 115.0° |
| N04 | C09 | C08 | C07 | 179.3° | 180.0° |
| N04 | C09 | C08 | H06 | 0.7° | 0.1° |
| N04 | C14 | C15 | C19 | 177.1° | 179.8° |
| N04 | C14 | C15 | C16 | 178.2° | 179.7° |
| C14 | N04 | C09 | C08 | 2.3° | 0.1° |
| N04 | C14 | C19 | C18 | 178.2° | 179.7° |
| N04 | C14 | C15 | H11 | 1.8° | 0.3° |
| N04 | C14 | C19 | H12 | 1.8° | 0.3° |
| C14 | C15 | C16 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C15 | C14 | C19 | C18 | 1.0° | 0.0° |
| C14 | C15 | C16 | H13 | 179.6° | 180.0° |
| C15 | C14 | C19 | H12 | 178.9° | 180.0° |
| C16 | C15 | C14 | C19 | 1.0° | 0.0° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | N05 | 177.3° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C12 | C07 | C08 | C09 | 0.4° | 0.3° |
| C12 | C07 | C08 | C05 | 179.4° | 179.7° |
| C12 | C07 | C05 | C06 | 17.7° | 179.7° |
| C12 | C07 | C05 | C04 | 156.2° | 0.3° |
| C12 | C07 | C08 | H06 | 179.6° | 179.7° |
| C07 | C12 | C11 | H08 | 179.7° | 179.7° |
| C09 | C08 | C07 | H06 | 180.0° | 180.0° |
| C09 | C08 | C07 | C05 | 179.7° | 180.0° |
| C14 | C19 | C18 | C17 | 0.3° | 0.0° |
| C14 | C19 | C18 | H12 | 180.0° | 180.0° |
| C19 | C14 | C15 | H11 | 178.9° | 180.0° |
| C14 | C19 | C18 | H14 | 179.7° | 180.0° |
| C16 | C17 | N05 | C18 | 177.1° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | N05 | C23 | 42.9° | 180.0° |
| C16 | C17 | N05 | C20 | 144.8° | 56.3° |
| C17 | C16 | C15 | H11 | 179.6° | 180.0° |
| C16 | C17 | C18 | H14 | 179.7° | 179.9° |
| C08 | C07 | C05 | C06 | 162.9° | 0.0° |
| C08 | C07 | C05 | C04 | 23.1° | 180.0° |
| C08 | C07 | C12 | H07 | 179.3° | 180.0° |
| C07 | C05 | C06 | C04 | 174.1° | 179.9° |
| C07 | C05 | C06 | N01 | 179.4° | 179.7° |
| C07 | C05 | C04 | C03 | 178.2° | 180.0° |
| C07 | C05 | C04 | H04 | 1.7° | 0.0° |
| C07 | C05 | C06 | H05 | 0.6° | 0.1° |
| C05 | C07 | C08 | H06 | 0.3° | 0.0° |
| C05 | C07 | C12 | H07 | 0.0° | 0.3° |
| C05 | C06 | N01 | H05 | 180.0° | 179.8° |
| C05 | C06 | N01 | C02 | 4.3° | 0.5° |
| C06 | C05 | C04 | C03 | 4.3° | 0.1° |
| C06 | C05 | C04 | H04 | 175.7° | 180.0° |
| N01 | C06 | C05 | C04 | 5.3° | 0.2° |
| C06 | N01 | C02 | C03 | 1.8° | 0.6° |
| C06 | N01 | C02 | O01 | 179.0° | 179.7° |
| C05 | C04 | C03 | H04 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 1.9° | 0.0° |
| C05 | C04 | C03 | S01 | 179.0° | 179.9° |
| C04 | C05 | C06 | H05 | 174.7° | 180.0° |
| N05 | C17 | C18 | C19 | 177.4° | 179.9° |
| C17 | N05 | C23 | C22 | 129.4° | 177.6° |
| C17 | N05 | C23 | C20 | 172.2° | 123.8° |
| C17 | N05 | C20 | C21 | 163.9° | 177.6° |
| N05 | C17 | C16 | H13 | 2.7° | 0.0° |
| N05 | C17 | C18 | H14 | 2.6° | 0.0° |
| C17 | N05 | C20 | H15 | 76.5° | 57.6° |
| C17 | N05 | C20 | H16 | 44.2° | 62.5° |
| C17 | N05 | C23 | H17 | 111.0° | 62.5° |
| C17 | N05 | C23 | H18 | 9.7° | 57.6° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C18 | C17 | N05 | C23 | 134.2° | 0.1° |
| C18 | C17 | N05 | C20 | 38.0° | 123.6° |
| C18 | C17 | C16 | H13 | 179.6° | 179.9° |
| C17 | C18 | C19 | H12 | 179.7° | 180.0° |
| C23 | C22 | O02 | H22 | 120.5° | 119.9° |
| C23 | C22 | O02 | H21 | 120.5° | 119.9° |
| C22 | C23 | N05 | H17 | 119.6° | 119.9° |
| C22 | C23 | N05 | H18 | 119.6° | 120.0° |
| C22 | C23 | N05 | C20 | 58.4° | 58.6° |
| C23 | C22 | O02 | C21 | 29.3° | 58.7° |
| C23 | C22 | H22 | H21 | 118.5° | 120.1° |
| C22 | C23 | H17 | H18 | 121.1° | 120.1° |
| O02 | C22 | C23 | N05 | 29.2° | 56.8° |
| C22 | O02 | C21 | C20 | 66.9° | 58.7° |
| C22 | O02 | C21 | H20 | 172.9° | 178.6° |
| C22 | O02 | C21 | H19 | 53.2° | 61.3° |
| O02 | C22 | H22 | H21 | 118.5° | 120.1° |
| O02 | C22 | C23 | H17 | 90.4° | 63.1° |
| O02 | C22 | C23 | H18 | 148.8° | 176.8° |
| N01 | C02 | C03 | C04 | 0.8° | 0.3° |
| N01 | C02 | C03 | O01 | 179.1° | 179.7° |
| N01 | C02 | C03 | S01 | 179.9° | 179.8° |
| N01 | C02 | O01 | C01 | 116.3° | 0.3° |
| C02 | N01 | C06 | H05 | 175.7° | 179.6° |
| C23 | N05 | C20 | C21 | 23.8° | 58.6° |
| C23 | N05 | C20 | H15 | 95.8° | 178.5° |
| C23 | N05 | C20 | H16 | 143.5° | 61.3° |
| N05 | C23 | C22 | H22 | 91.3° | 63.1° |
| N05 | C23 | C22 | H21 | 149.7° | 176.8° |
| N05 | C23 | H17 | H18 | 121.1° | 120.1° |
| N05 | C20 | C21 | O02 | 37.3° | 56.9° |
| N05 | C20 | C21 | H15 | 119.6° | 119.9° |
| N05 | C20 | C21 | H16 | 119.6° | 120.0° |
| N05 | C20 | H15 | H16 | 121.1° | 120.2° |
| N05 | C20 | C21 | H20 | 157.4° | 176.8° |
| N05 | C20 | C21 | H19 | 82.9° | 63.1° |
| C20 | N05 | C23 | H17 | 61.2° | 61.3° |
| C20 | N05 | C23 | H18 | 178.0° | 178.6° |
| C04 | C03 | C02 | S01 | 179.1° | 180.0° |
| C04 | C03 | C02 | O01 | 179.9° | 180.0° |
| C04 | C03 | S01 | O03 | 105.1° | 130.0° |
| C04 | C03 | S01 | N06 | 20.5° | 116.4° |
| C04 | C03 | S01 | O04 | 142.3° | 2.9° |
| O02 | C21 | C20 | H20 | 120.1° | 119.9° |
| O02 | C21 | C20 | H19 | 120.1° | 120.0° |
| O02 | C21 | C20 | H15 | 156.9° | 176.8° |
| O02 | C21 | C20 | H16 | 82.4° | 63.1° |
| O02 | C21 | H20 | H19 | 119.7° | 120.2° |
| C21 | O02 | C22 | H22 | 149.8° | 61.3° |
| C21 | O02 | C22 | H21 | 91.2° | 178.6° |
| C03 | C02 | O01 | C01 | 62.9° | 180.0° |
| C02 | C03 | S01 | O03 | 75.8° | 50.0° |
| C02 | C03 | S01 | N06 | 158.6° | 63.5° |
| C02 | C03 | S01 | O04 | 36.8° | 177.1° |
| C02 | C03 | C04 | H04 | 178.1° | 180.0° |
| O01 | C02 | C03 | S01 | 1.0° | 0.0° |
| C02 | O01 | C01 | H03 | 180.0° | 60.0° |
| C02 | O01 | C01 | H02 | 60.0° | 180.0° |
| C02 | O01 | C01 | H01 | 60.0° | 60.0° |
| C03 | S01 | O03 | N06 | 124.0° | 114.1° |
| C03 | S01 | O03 | O04 | 117.5° | 122.9° |
| C03 | S01 | N06 | O04 | 121.9° | 113.6° |
| C03 | S01 | N06 | C24 | 161.9° | 67.9° |
| S01 | C03 | C04 | H04 | 1.0° | 0.0° |
| C03 | S01 | N06 | H23 | 41.1° | 112.1° |
| C21 | C20 | H15 | H16 | 121.1° | 120.1° |
| C20 | C21 | H20 | H19 | 119.6° | 120.1° |
| O01 | C01 | H03 | H02 | 120.0° | 119.9° |
| O01 | C01 | H03 | H01 | 120.0° | 120.0° |
| O01 | C01 | H02 | H01 | 120.0° | 120.0° |
| O03 | S01 | N06 | O04 | 114.1° | 132.9° |
| O03 | S01 | N06 | C24 | 37.8° | 178.5° |
| O03 | S01 | N06 | H23 | 82.9° | 1.5° |
| S01 | N06 | C24 | H23 | 120.8° | 180.0° |
| S01 | N06 | C24 | C25 | 108.1° | 35.4° |
| S01 | N06 | C24 | C29 | 69.2° | 144.9° |
| O04 | S01 | N06 | C24 | 76.3° | 45.7° |
| O04 | S01 | N06 | H23 | 163.0° | 134.3° |
| N06 | C24 | C25 | C29 | 177.2° | 179.7° |
| N06 | C24 | C25 | C26 | 178.6° | 179.7° |
| N06 | C24 | C29 | F01 | 2.1° | 0.2° |
| N06 | C24 | C29 | C28 | 178.8° | 179.7° |
| N06 | C24 | C25 | H24 | 1.4° | 0.3° |
| C24 | C25 | C26 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.7° | 0.1° |
| C25 | C24 | C29 | F01 | 179.3° | 180.0° |
| C25 | C24 | C29 | C28 | 1.6° | 0.0° |
| C24 | C25 | C26 | H25 | 179.3° | 180.0° |
| C25 | C24 | N06 | H23 | 12.7° | 144.6° |
| C26 | C25 | C24 | C29 | 1.4° | 0.0° |
| C25 | C26 | C27 | H25 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H26 | 179.9° | 180.0° |
| C24 | C29 | F01 | C28 | 179.1° | 180.0° |
| C24 | C29 | C28 | C27 | 1.0° | 0.0° |
| C29 | C24 | C25 | H24 | 178.6° | 180.0° |
| C24 | C29 | C28 | H27 | 179.1° | 180.0° |
| C29 | C24 | N06 | H23 | 170.0° | 35.1° |
| C26 | C27 | C28 | C29 | 0.3° | 0.0° |
| C26 | C27 | C28 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | H24 | 179.3° | 180.0° |
| C26 | C27 | C28 | H27 | 179.7° | 180.0° |
| F01 | C29 | C28 | C27 | 179.9° | 179.9° |
| F01 | C29 | C28 | H27 | 0.0° | 0.0° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C29 | C28 | C27 | H26 | 179.7° | 179.9° |
| C28 | C27 | C26 | H25 | 179.9° | 180.0° |
| H03 | C01 | H02 | H01 | 120.0° | 120.0° |
| H08 | C11 | C12 | H07 | 0.3° | 0.2° |
| H11 | C15 | C16 | H13 | 0.4° | 0.0° |
| H14 | C18 | C19 | H12 | 0.4° | 0.0° |
| H15 | C20 | C21 | H20 | 83.0° | 63.3° |
| H15 | C20 | C21 | H19 | 36.8° | 56.8° |
| H16 | C20 | C21 | H20 | 37.7° | 56.8° |
| H16 | C20 | C21 | H19 | 157.5° | 176.9° |
| H22 | C22 | C23 | H17 | 149.1° | 176.9° |
| H22 | C22 | C23 | H18 | 28.3° | 56.8° |
| H21 | C22 | C23 | H17 | 30.1° | 56.8° |
| H21 | C22 | C23 | H18 | 90.7° | 63.3° |
| H24 | C25 | C26 | H25 | 0.7° | 0.0° |
| H25 | C26 | C27 | H26 | 0.1° | 0.1° |
| H26 | C27 | C28 | H27 | 0.3° | 0.0° |
