X7B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | B01 | sing | 1.37Å | 1.45Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| B01 | O01 | sing | 1.42Å | 1.39Å | |
| B01 | C05 | sing | 1.56Å | 1.59Å | |
| B01 | O11 | sing | 1.37Å | 1.38Å | |
| C06 | C05 | doub | 1.37Å | 1.42Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.37Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | C07 | sing | 1.34Å | 1.43Å | |
| C05 | C04 | sing | 1.40Å | 1.32Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| O10 | S01 | doub | 1.42Å | 1.44Å | |
| C01 | C02 | doub | 1.38Å | 1.36Å | Aromatic |
| C04 | C07 | sing | 1.47Å | 1.51Å | |
| C04 | C03 | doub | 1.40Å | 1.43Å | Aromatic |
| C07 | O03 | doub | 1.22Å | 1.19Å | |
| C02 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | S01 | sing | 1.76Å | 1.82Å | |
| C19 | C11 | sing | 1.53Å | 1.54Å | |
| S01 | O09 | doub | 1.42Å | 1.45Å | |
| S01 | N01 | sing | 1.66Å | 1.67Å | |
| C17 | C18 | sing | 1.54Å | 1.46Å | |
| C17 | C16 | sing | 1.54Å | 1.59Å | |
| C11 | N02 | sing | 1.46Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C18 | O07 | sing | 1.44Å | 1.31Å | |
| N01 | C09 | sing | 1.47Å | 1.44Å | |
| N01 | C08 | sing | 1.46Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| N02 | C12 | sing | 1.35Å | 1.42Å | |
| O04 | C12 | doub | 1.21Å | 1.16Å | |
| C10 | O08 | sing | 1.43Å | 1.41Å | |
| O07 | C15 | sing | 1.44Å | 1.61Å | |
| C12 | O05 | sing | 1.35Å | 1.37Å | |
| C16 | C15 | sing | 1.56Å | 1.21Å | |
| C16 | C13 | sing | 1.54Å | 1.62Å | |
| C08 | C26 | sing | 1.53Å | 1.54Å | |
| C15 | O06 | sing | 1.44Å | 1.54Å | |
| O05 | C13 | sing | 1.45Å | 1.48Å | |
| C13 | C14 | sing | 1.54Å | 1.24Å | |
| C28 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| O06 | C14 | sing | 1.44Å | 1.49Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C03 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | H02 | sing | 1.08Å | 1.08Å | |
| C08 | H06 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H07 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H09 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H05 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| N02 | H08 | sing | 0.97Å | 1.00Å | |
| O02 | H03 | sing | 0.97Å | 0.95Å | |
| O08 | H11 | sing | 0.97Å | 0.95Å | |
| O11 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | B01 | O01 | 108.8° | 110.1° |
| O02 | B01 | C05 | 121.1° | 110.1° |
| O02 | B01 | O11 | 109.1° | 110.3° |
| B01 | O02 | H03 | 109.5° | 114.0° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C23 | C22 | C21 | 119.9° | 119.9° |
| C23 | C22 | H20 | 120.1° | 120.0° |
| C22 | C23 | H21 | 120.0° | 120.0° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C24 | C23 | H21 | 120.0° | 120.0° |
| C23 | C24 | H22 | 120.1° | 120.0° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C22 | C21 | H19 | 120.1° | 120.0° |
| C21 | C22 | H20 | 120.1° | 120.0° |
| C24 | C25 | C20 | 120.8° | 120.0° |
| C25 | C24 | H22 | 120.2° | 120.0° |
| C24 | C25 | H23 | 119.6° | 120.0° |
| C21 | C20 | C25 | 119.8° | 120.0° |
| C21 | C20 | C19 | 121.4° | 120.0° |
| C20 | C21 | H19 | 120.1° | 120.0° |
| O01 | B01 | C05 | 102.8° | 106.0° |
| O01 | B01 | O11 | 109.3° | 110.2° |
| B01 | O01 | C07 | 111.9° | 109.9° |
| C05 | B01 | O11 | 105.1° | 110.1° |
| B01 | C05 | C06 | 129.6° | 134.0° |
| B01 | C05 | C04 | 110.5° | 105.5° |
| B01 | O11 | H36 | 109.5° | 114.0° |
| C05 | C06 | C01 | 119.8° | 119.8° |
| C06 | C05 | C04 | 119.8° | 120.5° |
| C05 | C06 | H02 | 120.1° | 120.1° |
| C06 | C01 | C02 | 120.2° | 120.2° |
| C06 | C01 | H01 | 119.9° | 119.9° |
| C01 | C06 | H02 | 120.1° | 120.1° |
| C25 | C20 | C19 | 118.8° | 120.0° |
| C20 | C25 | H23 | 119.6° | 120.0° |
| O01 | C07 | C04 | 107.0° | 111.1° |
| O01 | C07 | O03 | 126.5° | 124.5° |
| C05 | C04 | C07 | 107.7° | 107.6° |
| C05 | C04 | C03 | 120.7° | 119.3° |
| C20 | C19 | C11 | 108.3° | 109.5° |
| C20 | C19 | H18 | 109.7° | 109.5° |
| C20 | C19 | H32 | 109.8° | 109.5° |
| O10 | S01 | C02 | 107.6° | 106.4° |
| O10 | S01 | O09 | 114.8° | 123.2° |
| O10 | S01 | N01 | 109.5° | 106.4° |
| C01 | C02 | C03 | 120.8° | 120.4° |
| C01 | C02 | S01 | 117.5° | 119.8° |
| C02 | C01 | H01 | 119.9° | 119.9° |
| C07 | C04 | C03 | 131.6° | 133.1° |
| C04 | C07 | O03 | 126.5° | 124.4° |
| C04 | C03 | C02 | 118.6° | 119.7° |
| C04 | C03 | H04 | 120.7° | 120.1° |
| C03 | C02 | S01 | 121.6° | 119.8° |
| C02 | C03 | H04 | 120.7° | 120.2° |
| C02 | S01 | O09 | 107.6° | 106.4° |
| C02 | S01 | N01 | 107.6° | 107.2° |
| C19 | C11 | N02 | 111.1° | 109.5° |
| C19 | C11 | C10 | 115.2° | 109.5° |
| C19 | C11 | H10 | 108.8° | 109.4° |
| C11 | C19 | H18 | 109.8° | 109.4° |
| C11 | C19 | H32 | 109.8° | 109.5° |
| O09 | S01 | N01 | 109.4° | 106.4° |
| S01 | N01 | C09 | 120.0° | 120.0° |
| S01 | N01 | C08 | 116.1° | 120.0° |
| C18 | C17 | C16 | 104.8° | 104.6° |
| C17 | C18 | O07 | 106.9° | 107.3° |
| C18 | C17 | H30 | 110.6° | 110.4° |
| C18 | C17 | H16 | 110.7° | 110.4° |
| C17 | C18 | H31 | 110.1° | 109.9° |
| C17 | C18 | H17 | 110.1° | 109.9° |
| C17 | C16 | C15 | 104.2° | 102.3° |
| C17 | C16 | C13 | 115.5° | 108.8° |
| C17 | C16 | H15 | 108.8° | 114.4° |
| C16 | C17 | H30 | 110.6° | 110.4° |
| C16 | C17 | H16 | 110.6° | 110.4° |
| N02 | C11 | C10 | 102.8° | 109.5° |
| C11 | N02 | C12 | 127.8° | 120.0° |
| N02 | C11 | H10 | 109.8° | 109.5° |
| C11 | N02 | H08 | 116.1° | 120.0° |
| C11 | C10 | C09 | 112.2° | 109.5° |
| C11 | C10 | O08 | 111.9° | 109.4° |
| C11 | C10 | H09 | 108.3° | 109.4° |
| C10 | C11 | H10 | 108.9° | 109.5° |
| C18 | O07 | C15 | 105.5° | 107.6° |
| O07 | C18 | H31 | 110.1° | 109.9° |
| O07 | C18 | H17 | 110.1° | 109.8° |
| C09 | N01 | C08 | 118.4° | 120.0° |
| N01 | C09 | C10 | 112.4° | 109.5° |
| N01 | C09 | H07 | 108.7° | 109.5° |
| N01 | C09 | H28 | 108.7° | 109.5° |
| N01 | C08 | C26 | 115.4° | 109.5° |
| N01 | C08 | H06 | 107.9° | 109.5° |
| N01 | C08 | H27 | 108.0° | 109.4° |
| C09 | C10 | O08 | 106.3° | 109.5° |
| C10 | C09 | H07 | 108.7° | 109.5° |
| C10 | C09 | H28 | 108.7° | 109.4° |
| C09 | C10 | H09 | 108.2° | 109.5° |
| N02 | C12 | O04 | 125.4° | 120.0° |
| N02 | C12 | O05 | 111.5° | 120.0° |
| C12 | N02 | H08 | 116.1° | 120.0° |
| O04 | C12 | O05 | 123.1° | 120.0° |
| O08 | C10 | H09 | 109.9° | 109.5° |
| C10 | O08 | H11 | 109.5° | 114.0° |
| O07 | C15 | C16 | 111.7° | 103.7° |
| O07 | C15 | O06 | 101.5° | 108.8° |
| O07 | C15 | H14 | 108.5° | 113.5° |
| C12 | O05 | C13 | 116.5° | 117.0° |
| C15 | C16 | C13 | 105.3° | 102.5° |
| C16 | C15 | O06 | 109.9° | 103.9° |
| C16 | C15 | H14 | 115.0° | 113.1° |
| C15 | C16 | H15 | 114.9° | 113.9° |
| C16 | C13 | O05 | 105.4° | 110.5° |
| C16 | C13 | C14 | 107.8° | 104.6° |
| C16 | C13 | H12 | 109.1° | 110.4° |
| C13 | C16 | H15 | 108.3° | 113.6° |
| C08 | C26 | C28 | 112.1° | 109.5° |
| C08 | C26 | C27 | 107.3° | 109.5° |
| C26 | C08 | H06 | 108.0° | 109.5° |
| C26 | C08 | H27 | 108.0° | 109.5° |
| C08 | C26 | H24 | 108.1° | 109.5° |
| C15 | O06 | C14 | 103.0° | 107.7° |
| O06 | C15 | H14 | 109.4° | 112.9° |
| O05 | C13 | C14 | 107.7° | 110.4° |
| O05 | C13 | H12 | 111.0° | 110.4° |
| C13 | C14 | O06 | 105.0° | 107.4° |
| C14 | C13 | H12 | 115.4° | 110.4° |
| C13 | C14 | H29 | 110.6° | 109.9° |
| C13 | C14 | H13 | 110.6° | 109.9° |
| C28 | C26 | C27 | 112.6° | 109.4° |
| C28 | C26 | H24 | 108.3° | 109.5° |
| C26 | C28 | H26 | 109.5° | 109.4° |
| C26 | C28 | H05 | 109.5° | 109.5° |
| C26 | C28 | H34 | 109.4° | 109.5° |
| C27 | C26 | H24 | 108.2° | 109.5° |
| C26 | C27 | H35 | 109.5° | 109.5° |
| C26 | C27 | H33 | 109.5° | 109.4° |
| C26 | C27 | H25 | 109.5° | 109.5° |
| O06 | C14 | H29 | 110.6° | 109.8° |
| O06 | C14 | H13 | 110.6° | 110.0° |
| H06 | C08 | H27 | 109.4° | 109.5° |
| H07 | C09 | H28 | 109.5° | 109.4° |
| H29 | C14 | H13 | 109.5° | 109.8° |
| H30 | C17 | H16 | 109.5° | 110.5° |
| H31 | C18 | H17 | 109.5° | 110.0° |
| H18 | C19 | H32 | 109.5° | 109.5° |
| H35 | C27 | H33 | 109.5° | 109.5° |
| H35 | C27 | H25 | 109.5° | 109.5° |
| H33 | C27 | H25 | 109.4° | 109.5° |
| H26 | C28 | H05 | 109.5° | 109.4° |
| H26 | C28 | H34 | 109.5° | 109.5° |
| H05 | C28 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | B01 | O01 | C05 | 129.7° | 119.1° |
| O02 | B01 | O01 | O11 | 119.1° | 121.9° |
| O02 | B01 | C05 | O11 | 124.0° | 121.9° |
| O02 | B01 | C05 | C06 | 58.1° | 60.9° |
| O02 | B01 | O01 | C07 | 130.5° | 119.0° |
| O02 | B01 | C05 | C04 | 123.1° | 119.0° |
| O02 | B01 | O11 | H36 | 180.0° | 60.3° |
| C22 | C23 | C24 | H21 | 180.0° | 180.0° |
| C23 | C22 | C21 | H20 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.9° | 0.3° |
| C23 | C22 | C21 | C20 | 0.2° | 0.1° |
| C23 | C22 | C21 | H19 | 179.8° | 180.0° |
| C22 | C23 | C24 | H22 | 179.1° | 179.9° |
| C24 | C23 | C22 | C21 | 0.8° | 0.0° |
| C23 | C24 | C25 | H22 | 180.0° | 179.6° |
| C23 | C24 | C25 | C20 | 0.3° | 0.6° |
| C24 | C23 | C22 | H20 | 179.2° | 179.9° |
| C23 | C24 | C25 | H23 | 179.7° | 180.0° |
| C22 | C21 | C20 | H19 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 0.4° | 0.3° |
| C22 | C21 | C20 | C19 | 179.1° | 180.0° |
| C21 | C22 | C23 | H21 | 179.1° | 180.0° |
| C24 | C25 | C20 | C21 | 0.3° | 0.6° |
| C24 | C25 | C20 | H23 | 180.0° | 179.4° |
| C24 | C25 | C20 | C19 | 179.1° | 179.6° |
| C25 | C24 | C23 | H21 | 179.1° | 179.7° |
| C21 | C20 | C25 | C19 | 179.5° | 179.8° |
| C21 | C20 | C19 | C11 | 70.6° | 90.0° |
| C21 | C20 | C19 | H18 | 49.2° | 30.0° |
| C21 | C20 | C19 | H32 | 169.6° | 150.0° |
| C20 | C21 | C22 | H20 | 179.8° | 180.0° |
| C21 | C20 | C25 | H23 | 179.7° | 180.0° |
| O01 | B01 | C05 | O11 | 114.4° | 119.1° |
| O01 | B01 | C05 | C06 | 179.7° | 179.9° |
| O01 | B01 | C05 | C04 | 1.5° | 0.0° |
| B01 | O01 | C07 | C04 | 0.1° | 0.0° |
| B01 | O01 | C07 | O03 | 179.9° | 180.0° |
| O01 | B01 | O02 | H03 | 180.0° | 61.5° |
| O01 | B01 | O11 | H36 | 61.1° | 61.5° |
| B01 | C05 | C06 | C04 | 178.7° | 179.9° |
| B01 | C05 | C06 | C01 | 178.9° | 180.0° |
| C05 | B01 | O01 | C07 | 0.9° | 0.0° |
| B01 | C05 | C04 | C07 | 1.4° | 0.0° |
| B01 | C05 | C04 | C03 | 179.8° | 180.0° |
| B01 | C05 | C06 | H02 | 1.1° | 0.0° |
| C05 | B01 | O02 | H03 | 61.3° | 178.0° |
| C05 | B01 | O11 | H36 | 48.7° | 178.0° |
| O11 | B01 | C05 | C06 | 65.9° | 61.0° |
| O11 | B01 | O01 | C07 | 110.4° | 119.1° |
| O11 | B01 | C05 | C04 | 112.9° | 119.1° |
| O11 | B01 | O02 | H03 | 60.8° | 60.3° |
| C05 | C06 | C01 | H02 | 180.0° | 180.0° |
| C05 | C06 | C01 | C02 | 0.4° | 0.0° |
| C06 | C05 | C04 | C07 | 179.6° | 180.0° |
| C06 | C05 | C04 | C03 | 0.9° | 0.1° |
| C05 | C06 | C01 | H01 | 179.6° | 180.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | C01 | C02 | H01 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C06 | C01 | C02 | S01 | 179.5° | 180.0° |
| C25 | C20 | C19 | C11 | 108.9° | 90.3° |
| C25 | C20 | C19 | H18 | 131.3° | 149.8° |
| C25 | C20 | C19 | H32 | 11.0° | 29.8° |
| C25 | C20 | C21 | H19 | 179.6° | 179.7° |
| C20 | C25 | C24 | H22 | 179.7° | 179.7° |
| O01 | C07 | C04 | C05 | 0.9° | 0.0° |
| O01 | C07 | C04 | O03 | 180.0° | 180.0° |
| O01 | C07 | C04 | C03 | 179.5° | 180.0° |
| C05 | C04 | C07 | C03 | 178.6° | 180.0° |
| C05 | C04 | C07 | O03 | 179.1° | 180.0° |
| C05 | C04 | C03 | C02 | 1.0° | 0.0° |
| C05 | C04 | C03 | H04 | 179.0° | 180.0° |
| C04 | C05 | C06 | H02 | 179.8° | 179.9° |
| C20 | C19 | C11 | H18 | 119.8° | 120.0° |
| C20 | C19 | C11 | H32 | 119.8° | 120.1° |
| C20 | C19 | C11 | N02 | 59.1° | 65.0° |
| C20 | C19 | C11 | C10 | 175.5° | 175.0° |
| C20 | C19 | C11 | H10 | 61.9° | 55.0° |
| C20 | C19 | H18 | H32 | 120.5° | 120.0° |
| C19 | C20 | C21 | H19 | 0.9° | 0.0° |
| C19 | C20 | C25 | H23 | 0.8° | 0.3° |
| O10 | S01 | C02 | C01 | 43.6° | 30.4° |
| O10 | S01 | C02 | C03 | 137.3° | 149.6° |
| O10 | S01 | C02 | O09 | 124.3° | 133.0° |
| O10 | S01 | C02 | N01 | 117.9° | 113.5° |
| O10 | S01 | O09 | N01 | 123.6° | 122.9° |
| O10 | S01 | N01 | C09 | 21.9° | 163.4° |
| O10 | S01 | N01 | C08 | 175.5° | 16.6° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C01 | C02 | C03 | S01 | 179.1° | 180.0° |
| C01 | C02 | S01 | O09 | 167.8° | 163.4° |
| C01 | C02 | S01 | N01 | 74.3° | 83.1° |
| C01 | C02 | C03 | H04 | 179.6° | 180.0° |
| C02 | C01 | C06 | H02 | 179.6° | 180.0° |
| C07 | C04 | C03 | C02 | 179.4° | 180.0° |
| C07 | C04 | C03 | H04 | 0.6° | 0.0° |
| C03 | C04 | C07 | O03 | 0.5° | 0.0° |
| C04 | C03 | C02 | H04 | 180.0° | 180.0° |
| C04 | C03 | C02 | S01 | 178.8° | 180.0° |
| C03 | C02 | S01 | O09 | 13.0° | 16.6° |
| C03 | C02 | S01 | N01 | 104.8° | 96.9° |
| C03 | C02 | C01 | H01 | 179.7° | 180.0° |
| C02 | S01 | O09 | N01 | 116.6° | 114.1° |
| C02 | S01 | N01 | C09 | 94.8° | 83.1° |
| C02 | S01 | N01 | C08 | 58.8° | 96.9° |
| S01 | C02 | C01 | H01 | 0.6° | 0.0° |
| S01 | C02 | C03 | H04 | 1.2° | 0.0° |
| C19 | C11 | N02 | C10 | 123.8° | 120.0° |
| C19 | C11 | N02 | H10 | 120.4° | 119.9° |
| C19 | C11 | C10 | H10 | 122.5° | 119.9° |
| C19 | C11 | C10 | C09 | 69.3° | 65.0° |
| C19 | C11 | N02 | C12 | 126.4° | 85.0° |
| C19 | C11 | C10 | O08 | 50.1° | 55.1° |
| C19 | C11 | C10 | H09 | 171.4° | 175.0° |
| C11 | C19 | H18 | H32 | 120.5° | 119.9° |
| C19 | C11 | N02 | H08 | 53.6° | 95.1° |
| O09 | S01 | N01 | C09 | 148.5° | 30.5° |
| O09 | S01 | N01 | C08 | 57.9° | 149.5° |
| S01 | N01 | C09 | C08 | 153.0° | 180.0° |
| S01 | N01 | C09 | C10 | 108.4° | 103.0° |
| S01 | N01 | C08 | C26 | 129.0° | 95.0° |
| S01 | N01 | C08 | H06 | 8.1° | 145.0° |
| S01 | N01 | C08 | H27 | 110.1° | 25.0° |
| S01 | N01 | C09 | H07 | 131.2° | 137.0° |
| S01 | N01 | C09 | H28 | 12.0° | 17.0° |
| C18 | C17 | C16 | H30 | 119.3° | 118.7° |
| C18 | C17 | C16 | H16 | 119.3° | 118.7° |
| C17 | C18 | O07 | H31 | 119.6° | 119.5° |
| C17 | C18 | O07 | H17 | 119.6° | 119.4° |
| C17 | C18 | O07 | C15 | 18.4° | 26.2° |
| C18 | C17 | C16 | C15 | 24.4° | 19.1° |
| C18 | C17 | C16 | C13 | 90.5° | 127.1° |
| C18 | C17 | C16 | H15 | 147.5° | 104.6° |
| C18 | C17 | H30 | H16 | 122.2° | 122.4° |
| C17 | C18 | H31 | H17 | 121.2° | 121.1° |
| C16 | C17 | C18 | O07 | 26.2° | 2.8° |
| C17 | C16 | C15 | O07 | 13.5° | 34.9° |
| C17 | C16 | C15 | C13 | 121.9° | 112.8° |
| C17 | C16 | C15 | H15 | 118.9° | 124.0° |
| C17 | C16 | C13 | H15 | 122.2° | 128.7° |
| C17 | C16 | C15 | O06 | 125.3° | 78.8° |
| C17 | C16 | C13 | O05 | 22.3° | 29.3° |
| C17 | C16 | C13 | C14 | 137.1° | 89.5° |
| C17 | C16 | C13 | H12 | 97.0° | 151.8° |
| C17 | C16 | C15 | H14 | 110.7° | 158.3° |
| C16 | C17 | H30 | H16 | 122.1° | 122.5° |
| C16 | C17 | C18 | H31 | 93.4° | 116.6° |
| C16 | C17 | C18 | H17 | 145.8° | 122.2° |
| N02 | C11 | C10 | H10 | 116.5° | 120.1° |
| N02 | C11 | C10 | C09 | 169.7° | 175.0° |
| C11 | N02 | C12 | H08 | 180.0° | 180.0° |
| C11 | N02 | C12 | O04 | 1.7° | 0.0° |
| N02 | C11 | C10 | O08 | 70.9° | 65.0° |
| C11 | N02 | C12 | O05 | 179.2° | 180.0° |
| N02 | C11 | C10 | H09 | 50.3° | 55.0° |
| N02 | C11 | C19 | H18 | 178.9° | 55.0° |
| N02 | C11 | C19 | H32 | 60.7° | 175.0° |
| C11 | C10 | C09 | N01 | 73.7° | 172.7° |
| C11 | C10 | C09 | O08 | 122.7° | 120.0° |
| C11 | C10 | C09 | H09 | 119.4° | 120.0° |
| C10 | C11 | N02 | C12 | 109.9° | 155.0° |
| C11 | C10 | O08 | H09 | 120.3° | 120.0° |
| C11 | C10 | C09 | H07 | 165.9° | 52.7° |
| C11 | C10 | C09 | H28 | 46.8° | 67.2° |
| C10 | C11 | C19 | H18 | 64.6° | 65.0° |
| C10 | C11 | C19 | H32 | 55.7° | 54.9° |
| C10 | C11 | N02 | H08 | 70.1° | 25.0° |
| C11 | C10 | O08 | H11 | 180.0° | 54.5° |
| C18 | O07 | C15 | C16 | 2.3° | 38.4° |
| C18 | O07 | C15 | O06 | 114.7° | 71.7° |
| C18 | O07 | C15 | H14 | 130.1° | 161.6° |
| O07 | C18 | C17 | H30 | 93.0° | 121.6° |
| O07 | C18 | C17 | H16 | 145.5° | 116.0° |
| O07 | C18 | H31 | H17 | 121.2° | 121.0° |
| N01 | C09 | C10 | H07 | 120.4° | 120.0° |
| N01 | C09 | C10 | H28 | 120.4° | 120.0° |
| N01 | C09 | C10 | O08 | 163.7° | 67.2° |
| C09 | N01 | C08 | C26 | 77.0° | 85.0° |
| C09 | N01 | C08 | H06 | 162.1° | 35.0° |
| C09 | N01 | C08 | H27 | 43.9° | 155.0° |
| N01 | C09 | H07 | H28 | 118.7° | 120.0° |
| N01 | C09 | C10 | H09 | 45.7° | 52.8° |
| C08 | N01 | C09 | C10 | 98.6° | 77.0° |
| N01 | C08 | C26 | H06 | 120.9° | 120.0° |
| N01 | C08 | C26 | H27 | 120.9° | 119.9° |
| N01 | C08 | C26 | C28 | 63.5° | 175.1° |
| N01 | C08 | C26 | C27 | 172.4° | 65.0° |
| N01 | C08 | H06 | H27 | 117.3° | 119.9° |
| C08 | N01 | C09 | H07 | 21.8° | 43.1° |
| C08 | N01 | C09 | H28 | 141.0° | 163.1° |
| N01 | C08 | C26 | H24 | 55.9° | 55.0° |
| C09 | C10 | O08 | H09 | 116.8° | 120.0° |
| C10 | C09 | H07 | H28 | 118.6° | 119.9° |
| C09 | C10 | C11 | H10 | 53.2° | 54.9° |
| C09 | C10 | O08 | H11 | 57.2° | 65.5° |
| N02 | C12 | O04 | O05 | 179.0° | 179.9° |
| N02 | C12 | O05 | C13 | 175.4° | 180.0° |
| C12 | N02 | C11 | H10 | 5.9° | 35.0° |
| O04 | C12 | O05 | C13 | 5.4° | 0.1° |
| O04 | C12 | N02 | H08 | 178.3° | 179.9° |
| O08 | C10 | C09 | H07 | 43.2° | 172.7° |
| O08 | C10 | C09 | H28 | 75.9° | 52.8° |
| O08 | C10 | C11 | H10 | 172.6° | 175.0° |
| O07 | C15 | C16 | O06 | 111.8° | 113.7° |
| O07 | C15 | C16 | H14 | 124.2° | 123.5° |
| O07 | C15 | C16 | C13 | 108.4° | 147.6° |
| O07 | C15 | O06 | H14 | 114.5° | 127.0° |
| O07 | C15 | O06 | C14 | 131.3° | 147.6° |
| O07 | C15 | C16 | H15 | 132.4° | 89.1° |
| C15 | O07 | C18 | H31 | 101.2° | 93.3° |
| C15 | O07 | C18 | H17 | 138.0° | 145.6° |
| C12 | O05 | C13 | C16 | 106.1° | 153.3° |
| C12 | O05 | C13 | C14 | 139.0° | 91.5° |
| C12 | O05 | C13 | H12 | 11.8° | 30.8° |
| O05 | C12 | N02 | H08 | 0.8° | 0.0° |
| C15 | C16 | C13 | H15 | 123.5° | 123.4° |
| C16 | C15 | O06 | H14 | 127.1° | 123.0° |
| C15 | C16 | C13 | O05 | 92.0° | 137.2° |
| C15 | C16 | C13 | C14 | 22.8° | 18.4° |
| C16 | C15 | O06 | C14 | 13.0° | 37.6° |
| C15 | C16 | C13 | H12 | 148.7° | 100.4° |
| C15 | C16 | C17 | H30 | 94.8° | 99.6° |
| C15 | C16 | C17 | H16 | 143.7° | 137.9° |
| C13 | C16 | C15 | O06 | 3.4° | 33.9° |
| C16 | C13 | O05 | C14 | 114.9° | 115.3° |
| C16 | C13 | O05 | H12 | 118.0° | 122.4° |
| C16 | C13 | C14 | H12 | 122.1° | 118.8° |
| C16 | C13 | C14 | O06 | 30.0° | 3.1° |
| C16 | C13 | C14 | H29 | 89.3° | 116.4° |
| C16 | C13 | C14 | H13 | 149.3° | 122.7° |
| C13 | C16 | C15 | H14 | 127.3° | 88.9° |
| C13 | C16 | C17 | H30 | 150.2° | 8.4° |
| C13 | C16 | C17 | H16 | 28.7° | 114.1° |
| C08 | C26 | C28 | C27 | 121.1° | 120.0° |
| C08 | C26 | C28 | H24 | 119.2° | 120.0° |
| C08 | C26 | C27 | H24 | 116.4° | 120.0° |
| C26 | C08 | H06 | H27 | 117.3° | 120.0° |
| C08 | C26 | C27 | H35 | 180.0° | 180.0° |
| C08 | C26 | C27 | H33 | 60.0° | 60.0° |
| C08 | C26 | C27 | H25 | 60.0° | 60.0° |
| C08 | C26 | C28 | H26 | 180.0° | 60.0° |
| C08 | C26 | C28 | H05 | 60.0° | 180.0° |
| C08 | C26 | C28 | H34 | 60.0° | 60.0° |
| C15 | O06 | C14 | C13 | 27.7° | 25.8° |
| C15 | O06 | C14 | H29 | 91.6° | 93.7° |
| C15 | O06 | C14 | H13 | 147.0° | 145.4° |
| O06 | C15 | C16 | H15 | 115.8° | 157.1° |
| O05 | C13 | C14 | H12 | 124.6° | 122.3° |
| O05 | C13 | C14 | O06 | 83.3° | 115.8° |
| O05 | C13 | C14 | H29 | 157.4° | 124.7° |
| O05 | C13 | C14 | H13 | 36.0° | 3.8° |
| O05 | C13 | C16 | H15 | 144.5° | 99.4° |
| C13 | C14 | O06 | H29 | 119.3° | 119.5° |
| C13 | C14 | O06 | H13 | 119.3° | 119.6° |
| C13 | C14 | H29 | H13 | 122.1° | 121.0° |
| C14 | C13 | C16 | H15 | 100.7° | 141.8° |
| C28 | C26 | C27 | H24 | 119.7° | 120.0° |
| C28 | C26 | C08 | H06 | 57.4° | 55.0° |
| C28 | C26 | C08 | H27 | 175.6° | 65.0° |
| C28 | C26 | C27 | H35 | 56.2° | 60.0° |
| C28 | C26 | C27 | H33 | 63.9° | 180.0° |
| C28 | C26 | C27 | H25 | 176.2° | 60.0° |
| C26 | C28 | H26 | H05 | 120.0° | 120.0° |
| C26 | C28 | H26 | H34 | 120.0° | 120.0° |
| C26 | C28 | H05 | H34 | 120.0° | 120.0° |
| C27 | C26 | C08 | H06 | 66.7° | 175.0° |
| C27 | C26 | C08 | H27 | 51.5° | 55.0° |
| C26 | C27 | H35 | H33 | 120.0° | 120.0° |
| C26 | C27 | H35 | H25 | 120.0° | 120.0° |
| C26 | C27 | H33 | H25 | 120.0° | 120.0° |
| C27 | C26 | C28 | H26 | 58.9° | 180.0° |
| C27 | C26 | C28 | H05 | 178.9° | 60.0° |
| C27 | C26 | C28 | H34 | 61.1° | 60.0° |
| O06 | C14 | C13 | H12 | 152.1° | 121.9° |
| O06 | C14 | H29 | H13 | 122.0° | 121.1° |
| C14 | O06 | C15 | H14 | 114.2° | 85.4° |
| H01 | C01 | C06 | H02 | 0.4° | 0.0° |
| H06 | C08 | C26 | H24 | 176.8° | 65.0° |
| H27 | C08 | C26 | H24 | 65.0° | 175.0° |
| H07 | C09 | C10 | H09 | 74.7° | 67.3° |
| H28 | C09 | C10 | H09 | 166.2° | 172.8° |
| H09 | C10 | C11 | H10 | 66.1° | 65.0° |
| H09 | C10 | O08 | H11 | 59.7° | 174.4° |
| H10 | C11 | C19 | H18 | 57.9° | 175.0° |
| H10 | C11 | C19 | H32 | 178.3° | 65.0° |
| H10 | C11 | N02 | H08 | 174.1° | 145.0° |
| H12 | C13 | C14 | H29 | 32.8° | 2.4° |
| H12 | C13 | C14 | H13 | 88.6° | 118.5° |
| H12 | C13 | C16 | H15 | 25.3° | 23.1° |
| H14 | C15 | C16 | H15 | 8.2° | 34.3° |
| H15 | C16 | C17 | H30 | 28.2° | 136.7° |
| H15 | C16 | C17 | H16 | 93.3° | 14.1° |
| H30 | C17 | C18 | H31 | 147.4° | 2.1° |
| H30 | C17 | C18 | H17 | 26.5° | 119.0° |
| H16 | C17 | C18 | H31 | 25.9° | 124.6° |
| H16 | C17 | C18 | H17 | 95.0° | 3.4° |
| H19 | C21 | C22 | H20 | 0.2° | 0.0° |
| H20 | C22 | C23 | H21 | 0.9° | 0.1° |
| H21 | C23 | C24 | H22 | 0.9° | 0.1° |
| H22 | C24 | C25 | H23 | 0.3° | 0.4° |
| H24 | C26 | C27 | H35 | 63.6° | 60.0° |
| H24 | C26 | C27 | H33 | 176.4° | 60.0° |
| H24 | C26 | C27 | H25 | 56.5° | 180.0° |
| H24 | C26 | C28 | H26 | 60.8° | 60.0° |
| H24 | C26 | C28 | H05 | 59.2° | 59.9° |
| H24 | C26 | C28 | H34 | 179.2° | 180.0° |
| H35 | C27 | H33 | H25 | 120.0° | 120.0° |
| H26 | C28 | H05 | H34 | 120.0° | 120.0° |
