IW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C21 | sing | 1.51Å | 1.45Å | |
| C22 | C21 | doub | 1.38Å | 1.32Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.32Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.29Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.47Å | |
| C20 | C17 | doub | 1.39Å | 1.30Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C17 | sing | 1.39Å | 1.27Å | Aromatic |
| C17 | N | sing | 1.40Å | 1.40Å | |
| C18 | N | sing | 1.47Å | 1.48Å | |
| N | C16 | sing | 1.35Å | 1.41Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| O03 | C09 | doub | 1.21Å | 1.16Å | |
| C16 | C13 | sing | 1.51Å | 1.55Å | |
| C16 | O | doub | 1.21Å | 1.20Å | |
| C09 | N01 | sing | 1.35Å | 1.20Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| N01 | C08 | sing | 1.38Å | 1.46Å | Aromatic |
| N01 | C05 | sing | 1.38Å | 1.25Å | Aromatic |
| C11 | N02 | sing | 1.47Å | 1.43Å | |
| C14 | C15 | sing | 1.54Å | 1.49Å | |
| C08 | C07 | doub | 1.34Å | 1.48Å | Aromatic |
| C15 | N02 | sing | 1.47Å | 1.41Å | |
| N02 | S | sing | 1.66Å | 1.62Å | |
| C05 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.28Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.30Å | Aromatic |
| C07 | C04 | sing | 1.47Å | 1.44Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.30Å | Aromatic |
| C01 | S | sing | 1.76Å | 1.81Å | |
| C01 | C02 | doub | 1.39Å | 1.34Å | Aromatic |
| S | O01 | doub | 1.42Å | 1.39Å | |
| S | O02 | doub | 1.42Å | 1.35Å | |
| C03 | C02 | sing | 1.38Å | 1.30Å | Aromatic |
| C02 | BR | sing | 1.89Å | 1.86Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C21 | C22 | 114.8° | 120.0° |
| C | C21 | C20 | 114.9° | 120.0° |
| C21 | C | H26 | 109.5° | 109.5° |
| C21 | C | H27 | 109.5° | 109.4° |
| C21 | C | H28 | 109.5° | 109.5° |
| C21 | C22 | C23 | 111.1° | 120.2° |
| C22 | C21 | C20 | 130.3° | 120.0° |
| C21 | C22 | H23 | 124.4° | 119.9° |
| C22 | C23 | C24 | 119.0° | 120.1° |
| C23 | C22 | H23 | 124.4° | 119.9° |
| C22 | C23 | H24 | 120.5° | 120.0° |
| C21 | C20 | C17 | 118.7° | 119.9° |
| C21 | C20 | H22 | 120.7° | 120.0° |
| C19 | C18 | N | 111.0° | 109.5° |
| C19 | C18 | H17 | 109.1° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.4° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C20 | C17 | C24 | 116.0° | 119.9° |
| C20 | C17 | N | 130.7° | 120.0° |
| C17 | C20 | H22 | 120.6° | 120.1° |
| C23 | C24 | C17 | 124.9° | 119.9° |
| C24 | C23 | H24 | 120.5° | 120.0° |
| C23 | C24 | H25 | 117.5° | 120.1° |
| C24 | C17 | N | 113.3° | 120.1° |
| C17 | C24 | H25 | 117.6° | 120.0° |
| C17 | N | C18 | 114.9° | 120.0° |
| C17 | N | C16 | 128.0° | 120.0° |
| C18 | N | C16 | 117.1° | 120.0° |
| N | C18 | H17 | 109.1° | 109.5° |
| N | C18 | H18 | 109.1° | 109.5° |
| N | C16 | C13 | 113.2° | 120.0° |
| N | C16 | O | 121.2° | 120.0° |
| C10 | C09 | O03 | 109.8° | 120.0° |
| C10 | C09 | N01 | 127.6° | 120.0° |
| C09 | C10 | H5 | 109.5° | 109.5° |
| C09 | C10 | H6 | 109.5° | 109.5° |
| C09 | C10 | H7 | 109.5° | 109.5° |
| O03 | C09 | N01 | 122.6° | 120.0° |
| C13 | C16 | O | 125.6° | 120.0° |
| C16 | C13 | C12 | 106.7° | 109.5° |
| C16 | C13 | C14 | 101.9° | 109.5° |
| C16 | C13 | H12 | 116.3° | 109.5° |
| C09 | N01 | C08 | 117.8° | 125.1° |
| C09 | N01 | C05 | 134.5° | 125.2° |
| C12 | C13 | C14 | 98.0° | 109.5° |
| C13 | C12 | C11 | 108.8° | 109.3° |
| C13 | C12 | H10 | 109.6° | 109.5° |
| C13 | C12 | H11 | 109.6° | 109.5° |
| C12 | C13 | H12 | 116.0° | 109.4° |
| C13 | C14 | C15 | 112.5° | 109.3° |
| C14 | C13 | H12 | 115.5° | 109.5° |
| C13 | C14 | H13 | 108.7° | 109.5° |
| C13 | C14 | H14 | 108.7° | 109.5° |
| C12 | C11 | N02 | 104.7° | 108.8° |
| C12 | C11 | H8 | 110.7° | 109.6° |
| C12 | C11 | H9 | 110.6° | 109.7° |
| C11 | C12 | H10 | 109.6° | 109.5° |
| C11 | C12 | H11 | 109.6° | 109.5° |
| C08 | N01 | C05 | 107.8° | 109.7° |
| N01 | C08 | C07 | 107.5° | 109.8° |
| N01 | C08 | H4 | 126.2° | 125.1° |
| N01 | C05 | C06 | 129.9° | 133.4° |
| N01 | C05 | C04 | 112.5° | 107.1° |
| C11 | N02 | C15 | 128.1° | 118.7° |
| C11 | N02 | S | 118.7° | 120.6° |
| N02 | C11 | H8 | 110.6° | 109.6° |
| N02 | C11 | H9 | 110.6° | 109.6° |
| C14 | C15 | N02 | 105.3° | 108.5° |
| C15 | C14 | H13 | 108.7° | 109.7° |
| C15 | C14 | H14 | 108.7° | 109.4° |
| C14 | C15 | H15 | 110.5° | 109.6° |
| C14 | C15 | H16 | 110.5° | 109.6° |
| C08 | C07 | C04 | 97.3° | 107.2° |
| C08 | C07 | H3 | 131.4° | 126.4° |
| C07 | C08 | H4 | 126.3° | 125.1° |
| C15 | N02 | S | 113.2° | 120.7° |
| N02 | C15 | H15 | 110.5° | 109.9° |
| N02 | C15 | H16 | 110.5° | 109.4° |
| N02 | S | C01 | 105.0° | 107.2° |
| N02 | S | O01 | 112.7° | 106.4° |
| N02 | S | O02 | 104.6° | 106.4° |
| C06 | C05 | C04 | 117.6° | 119.5° |
| C05 | C06 | C01 | 124.5° | 120.0° |
| C05 | C06 | H2 | 117.8° | 120.0° |
| C05 | C04 | C07 | 114.9° | 106.2° |
| C05 | C04 | C03 | 120.7° | 119.9° |
| C06 | C01 | S | 123.5° | 119.7° |
| C06 | C01 | C02 | 112.8° | 120.6° |
| C01 | C06 | H2 | 117.8° | 120.0° |
| C07 | C04 | C03 | 124.4° | 133.8° |
| C04 | C07 | H3 | 131.3° | 126.4° |
| C04 | C03 | C02 | 120.2° | 119.6° |
| C04 | C03 | H1 | 119.9° | 120.2° |
| S | C01 | C02 | 123.7° | 119.7° |
| C01 | S | O01 | 115.0° | 106.4° |
| C01 | S | O02 | 100.8° | 106.4° |
| C01 | C02 | C03 | 124.2° | 120.3° |
| C01 | C02 | BR | 128.3° | 119.8° |
| O01 | S | O02 | 117.2° | 123.2° |
| C03 | C02 | BR | 104.8° | 119.8° |
| C02 | C03 | H1 | 119.9° | 120.2° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.6° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.7° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H21 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H26 | C | H27 | 109.5° | 109.5° |
| H26 | C | H28 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C21 | C22 | C20 | 179.9° | 180.0° |
| C | C21 | C22 | C23 | 179.8° | 180.0° |
| C | C21 | C20 | C17 | 179.3° | 180.0° |
| C | C21 | C20 | H22 | 0.7° | 0.0° |
| C | C21 | C22 | H23 | 0.2° | 0.0° |
| C21 | C | H26 | H27 | 120.0° | 120.0° |
| C21 | C | H26 | H28 | 120.0° | 120.0° |
| C21 | C | H27 | H28 | 120.0° | 120.0° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C22 | C21 | C20 | C17 | 0.8° | 0.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C22 | C21 | C20 | H22 | 179.2° | 179.9° |
| C21 | C22 | C23 | H24 | 179.9° | 180.0° |
| C22 | C21 | C | H26 | 90.0° | 90.0° |
| C22 | C21 | C | H27 | 150.0° | 30.0° |
| C22 | C21 | C | H28 | 30.0° | 150.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 179.8° |
| C22 | C23 | C24 | C17 | 0.1° | 0.5° |
| C22 | C23 | C24 | H25 | 179.9° | 180.0° |
| C21 | C20 | C17 | H22 | 180.0° | 179.9° |
| C21 | C20 | C17 | C24 | 0.7° | 0.3° |
| C21 | C20 | C17 | N | 179.8° | 180.0° |
| C20 | C21 | C22 | H23 | 179.7° | 180.0° |
| C20 | C21 | C | H26 | 90.0° | 90.0° |
| C20 | C21 | C | H27 | 30.1° | 150.0° |
| C20 | C21 | C | H28 | 150.0° | 30.0° |
| C19 | C18 | N | C17 | 68.4° | 77.0° |
| C19 | C18 | N | H17 | 120.2° | 120.0° |
| C19 | C18 | N | H18 | 120.2° | 120.0° |
| C19 | C18 | N | C16 | 111.8° | 103.0° |
| C19 | C18 | H17 | H18 | 119.3° | 120.0° |
| C18 | C19 | H19 | H20 | 120.0° | 120.1° |
| C18 | C19 | H19 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| C20 | C17 | C24 | C23 | 0.3° | 0.6° |
| C20 | C17 | C24 | N | 179.3° | 179.7° |
| C20 | C17 | N | C18 | 119.7° | 7.1° |
| C20 | C17 | N | C16 | 60.5° | 172.8° |
| C20 | C17 | C24 | H25 | 179.7° | 180.0° |
| C23 | C24 | C17 | H25 | 180.0° | 179.5° |
| C23 | C24 | C17 | N | 179.6° | 179.7° |
| C24 | C23 | C22 | H23 | 179.9° | 179.7° |
| C24 | C17 | N | C18 | 59.4° | 173.1° |
| C24 | C17 | N | C16 | 120.3° | 6.9° |
| C24 | C17 | C20 | H22 | 179.3° | 179.8° |
| C17 | C24 | C23 | H24 | 179.9° | 179.7° |
| C17 | N | C18 | C16 | 179.8° | 180.0° |
| C17 | N | C16 | C13 | 0.4° | 179.8° |
| C17 | N | C16 | O | 178.9° | 0.1° |
| C17 | N | C18 | H17 | 171.4° | 43.0° |
| C17 | N | C18 | H18 | 51.8° | 163.0° |
| N | C17 | C20 | H22 | 0.2° | 0.0° |
| N | C17 | C24 | H25 | 0.4° | 0.2° |
| C18 | N | C16 | C13 | 179.3° | 0.1° |
| C18 | N | C16 | O | 0.8° | 179.9° |
| N | C18 | H17 | H18 | 119.3° | 120.0° |
| N | C18 | C19 | H19 | 180.0° | 167.6° |
| N | C18 | C19 | H20 | 60.0° | 47.6° |
| N | C18 | C19 | H21 | 60.0° | 72.5° |
| N | C16 | C13 | O | 178.4° | 179.9° |
| N | C16 | C13 | C12 | 154.0° | 169.7° |
| N | C16 | C13 | C14 | 103.8° | 70.3° |
| N | C16 | C13 | H12 | 22.7° | 49.8° |
| C16 | N | C18 | H17 | 8.4° | 137.0° |
| C16 | N | C18 | H18 | 128.0° | 17.0° |
| C10 | C09 | O03 | N01 | 179.3° | 180.0° |
| C10 | C09 | N01 | C08 | 0.9° | 0.0° |
| C10 | C09 | N01 | C05 | 179.9° | 179.7° |
| C09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C09 | C10 | H5 | H7 | 120.0° | 120.0° |
| C09 | C10 | H6 | H7 | 120.0° | 119.9° |
| O03 | C09 | N01 | C08 | 179.9° | 180.0° |
| O03 | C09 | N01 | C05 | 0.9° | 0.3° |
| O03 | C09 | C10 | H5 | 0.0° | 120.0° |
| O03 | C09 | C10 | H6 | 120.0° | 0.1° |
| O03 | C09 | C10 | H7 | 120.0° | 120.0° |
| C16 | C13 | C12 | C14 | 105.0° | 120.1° |
| C16 | C13 | C12 | H12 | 131.4° | 120.0° |
| C16 | C13 | C14 | H12 | 127.0° | 120.0° |
| C16 | C13 | C12 | C11 | 176.7° | 178.6° |
| C16 | C13 | C14 | C15 | 177.5° | 178.5° |
| C16 | C13 | C12 | H10 | 63.4° | 61.4° |
| C16 | C13 | C12 | H11 | 56.8° | 58.7° |
| C16 | C13 | C14 | H13 | 57.1° | 61.4° |
| C16 | C13 | C14 | H14 | 62.1° | 58.7° |
| O | C16 | C13 | C12 | 27.6° | 10.4° |
| O | C16 | C13 | C14 | 74.6° | 109.7° |
| O | C16 | C13 | H12 | 158.9° | 130.3° |
| C09 | N01 | C08 | C05 | 179.3° | 179.8° |
| C09 | N01 | C08 | C07 | 179.4° | 180.0° |
| C09 | N01 | C05 | C06 | 0.5° | 0.4° |
| C09 | N01 | C05 | C04 | 179.1° | 180.0° |
| C09 | N01 | C08 | H4 | 0.6° | 0.1° |
| N01 | C09 | C10 | H5 | 179.3° | 60.0° |
| N01 | C09 | C10 | H6 | 60.7° | 179.9° |
| N01 | C09 | C10 | H7 | 59.3° | 60.0° |
| C12 | C13 | C14 | H12 | 123.9° | 119.9° |
| C13 | C12 | C11 | H10 | 119.9° | 120.0° |
| C13 | C12 | C11 | H11 | 119.9° | 120.0° |
| C13 | C12 | C11 | N02 | 60.8° | 54.7° |
| C12 | C13 | C14 | C15 | 68.4° | 61.5° |
| C13 | C12 | C11 | H8 | 58.5° | 174.4° |
| C13 | C12 | C11 | H9 | 180.0° | 65.2° |
| C13 | C12 | H10 | H11 | 120.3° | 120.1° |
| C12 | C13 | C14 | H13 | 52.0° | 58.6° |
| C12 | C13 | C14 | H14 | 171.2° | 178.7° |
| C14 | C13 | C12 | C11 | 71.7° | 61.4° |
| C13 | C14 | C15 | H13 | 120.5° | 120.0° |
| C13 | C14 | C15 | H14 | 120.5° | 119.8° |
| C13 | C14 | C15 | N02 | 52.5° | 54.9° |
| C14 | C13 | C12 | H10 | 168.4° | 58.6° |
| C14 | C13 | C12 | H11 | 48.2° | 178.7° |
| C13 | C14 | H13 | H14 | 118.7° | 120.0° |
| C13 | C14 | C15 | H15 | 171.8° | 65.1° |
| C13 | C14 | C15 | H16 | 66.9° | 174.4° |
| C12 | C11 | N02 | H8 | 119.3° | 119.7° |
| C12 | C11 | N02 | H9 | 119.2° | 120.0° |
| C12 | C11 | N02 | C15 | 48.6° | 53.9° |
| C12 | C11 | N02 | S | 131.2° | 126.4° |
| C12 | C11 | H8 | H9 | 122.2° | 120.4° |
| C11 | C12 | H10 | H11 | 120.3° | 120.0° |
| C11 | C12 | C13 | H12 | 51.9° | 58.6° |
| N01 | C08 | C07 | H4 | 180.0° | 179.9° |
| C08 | N01 | C05 | C06 | 179.6° | 179.8° |
| C08 | N01 | C05 | C04 | 0.0° | 0.2° |
| N01 | C08 | C07 | C04 | 0.1° | 0.1° |
| N01 | C08 | C07 | H3 | 179.9° | 179.8° |
| C05 | N01 | C08 | C07 | 0.1° | 0.2° |
| N01 | C05 | C06 | C04 | 179.6° | 179.5° |
| N01 | C05 | C06 | C01 | 179.6° | 180.0° |
| N01 | C05 | C04 | C07 | 0.1° | 0.1° |
| N01 | C05 | C04 | C03 | 179.9° | 179.9° |
| N01 | C05 | C06 | H2 | 0.4° | 0.5° |
| C05 | N01 | C08 | H4 | 179.9° | 179.9° |
| C11 | N02 | C15 | C14 | 44.0° | 53.9° |
| C11 | N02 | C15 | S | 179.7° | 179.7° |
| C11 | N02 | S | C01 | 101.8° | 82.1° |
| C11 | N02 | S | O01 | 24.0° | 31.5° |
| C11 | N02 | S | O02 | 152.4° | 164.4° |
| N02 | C11 | H8 | H9 | 122.2° | 120.3° |
| N02 | C11 | C12 | H10 | 179.3° | 65.3° |
| N02 | C11 | C12 | H11 | 59.1° | 174.7° |
| C11 | N02 | C15 | H15 | 163.4° | 65.9° |
| C11 | N02 | C15 | H16 | 75.3° | 173.6° |
| C14 | C15 | N02 | H15 | 119.3° | 119.9° |
| C14 | C15 | N02 | H16 | 119.3° | 119.6° |
| C14 | C15 | N02 | S | 135.7° | 126.4° |
| C15 | C14 | C13 | H12 | 55.5° | 58.5° |
| C15 | C14 | H13 | H14 | 118.6° | 120.1° |
| C14 | C15 | H15 | H16 | 121.9° | 120.4° |
| C08 | C07 | C04 | C05 | 0.1° | 0.0° |
| C08 | C07 | C04 | H3 | 180.0° | 180.0° |
| C08 | C07 | C04 | C03 | 179.8° | 180.0° |
| C15 | N02 | S | C01 | 78.4° | 98.2° |
| C15 | N02 | S | O01 | 155.7° | 148.2° |
| C15 | N02 | S | O02 | 27.3° | 15.3° |
| C15 | N02 | C11 | H8 | 70.7° | 173.6° |
| C15 | N02 | C11 | H9 | 167.8° | 66.1° |
| N02 | C15 | C14 | H13 | 68.0° | 65.1° |
| N02 | C15 | C14 | H14 | 172.9° | 174.7° |
| N02 | C15 | H15 | H16 | 122.0° | 120.4° |
| N02 | S | C01 | C06 | 21.9° | 111.4° |
| N02 | S | C01 | O01 | 124.5° | 113.6° |
| N02 | S | C01 | O02 | 108.5° | 113.5° |
| N02 | S | C01 | C02 | 156.3° | 68.9° |
| N02 | S | O01 | O02 | 121.4° | 123.0° |
| S | N02 | C11 | H8 | 109.6° | 6.7° |
| S | N02 | C11 | H9 | 11.9° | 113.6° |
| S | N02 | C15 | H15 | 16.4° | 113.8° |
| S | N02 | C15 | H16 | 104.9° | 6.8° |
| C05 | C06 | C01 | H2 | 180.0° | 179.5° |
| C06 | C05 | C04 | C07 | 179.8° | 179.8° |
| C06 | C05 | C04 | C03 | 0.2° | 0.2° |
| C05 | C06 | C01 | S | 179.0° | 179.8° |
| C05 | C06 | C01 | C02 | 0.5° | 0.5° |
| C04 | C05 | C06 | C01 | 0.0° | 0.5° |
| C05 | C04 | C07 | C03 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H1 | 179.8° | 180.0° |
| C04 | C05 | C06 | H2 | 180.0° | 180.0° |
| C05 | C04 | C07 | H3 | 179.9° | 180.0° |
| C06 | C01 | S | C02 | 178.2° | 179.8° |
| C06 | C01 | S | O01 | 102.5° | 2.2° |
| C06 | C01 | S | O02 | 130.4° | 135.1° |
| C06 | C01 | C02 | C03 | 1.0° | 0.2° |
| C06 | C01 | C02 | BR | 159.5° | 179.7° |
| C07 | C04 | C03 | C02 | 179.8° | 180.0° |
| C07 | C04 | C03 | H1 | 0.2° | 0.0° |
| C04 | C07 | C08 | H4 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 0.9° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | BR | 163.6° | 180.0° |
| C03 | C04 | C07 | H3 | 0.2° | 0.0° |
| C01 | S | O01 | O02 | 118.2° | 122.9° |
| S | C01 | C02 | C03 | 179.4° | 180.0° |
| S | C01 | C02 | BR | 22.1° | 0.1° |
| S | C01 | C06 | H2 | 1.1° | 0.2° |
| C02 | C01 | S | O01 | 79.2° | 177.6° |
| C02 | C01 | S | O02 | 47.8° | 44.6° |
| C01 | C02 | C03 | BR | 162.7° | 179.9° |
| C01 | C02 | C03 | H1 | 179.1° | 180.0° |
| C02 | C01 | C06 | H2 | 179.5° | 180.0° |
| BR | C02 | C03 | H1 | 16.4° | 0.0° |
| H3 | C07 | C08 | H4 | 0.1° | 0.0° |
| H5 | C10 | H6 | H7 | 120.0° | 120.0° |
| H8 | C11 | C12 | H10 | 61.4° | 54.4° |
| H8 | C11 | C12 | H11 | 178.4° | 65.6° |
| H9 | C11 | C12 | H10 | 60.1° | 174.8° |
| H9 | C11 | C12 | H11 | 60.1° | 54.7° |
| H10 | C12 | C13 | H12 | 68.0° | 178.6° |
| H11 | C12 | C13 | H12 | 171.8° | 61.3° |
| H12 | C13 | C14 | H13 | 175.9° | 178.6° |
| H12 | C13 | C14 | H14 | 64.9° | 61.4° |
| H13 | C14 | C15 | H15 | 51.3° | 174.8° |
| H13 | C14 | C15 | H16 | 172.6° | 54.4° |
| H14 | C14 | C15 | H15 | 67.7° | 54.7° |
| H14 | C14 | C15 | H16 | 53.5° | 65.7° |
| H17 | C18 | C19 | H19 | 59.8° | 72.4° |
| H17 | C18 | C19 | H20 | 60.2° | 167.5° |
| H17 | C18 | C19 | H21 | 179.8° | 47.5° |
| H18 | C18 | C19 | H19 | 59.8° | 47.6° |
| H18 | C18 | C19 | H20 | 179.8° | 72.5° |
| H18 | C18 | C19 | H21 | 60.2° | 167.5° |
| H19 | C19 | H20 | H21 | 120.0° | 119.9° |
| H23 | C22 | C23 | H24 | 0.1° | 0.0° |
| H24 | C23 | C24 | H25 | 0.1° | 0.2° |
| H26 | C | H27 | H28 | 120.0° | 120.0° |
