9Y7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | S02 | doub | 1.42Å | 1.44Å | |
| N01 | S02 | sing | 1.66Å | 1.62Å | |
| S02 | O04 | doub | 1.42Å | 1.45Å | |
| S02 | C05 | sing | 1.76Å | 1.69Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| O30 | C29 | doub | 1.22Å | 1.23Å | |
| C05 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| O31 | C29 | sing | 1.35Å | 1.26Å | |
| C29 | C26 | sing | 1.47Å | 1.50Å | |
| C26 | C27 | doub | 1.35Å | 1.36Å | Aromatic |
| C26 | N25 | sing | 1.34Å | 1.43Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | S28 | sing | 1.71Å | 1.79Å | Aromatic |
| N25 | C24 | doub | 1.29Å | 1.28Å | Aromatic |
| C24 | S28 | sing | 1.76Å | 1.78Å | Aromatic |
| C24 | N13 | sing | 1.39Å | 1.34Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| N13 | N14 | sing | 1.40Å | 1.37Å | Aromatic |
| N13 | C11 | sing | 1.36Å | 1.40Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.38Å | Aromatic |
| F23 | C21 | sing | 1.35Å | 1.28Å | |
| C08 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.46Å | |
| C22 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C22 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.34Å | |
| C11 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C21 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.47Å | |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | F20 | sing | 1.35Å | 1.29Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.08Å | 1.08Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| O31 | H12 | sing | 0.97Å | 0.95Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | S02 | N01 | 106.3° | 106.4° |
| O03 | S02 | O04 | 116.5° | 123.1° |
| O03 | S02 | C05 | 109.7° | 106.4° |
| N01 | S02 | O04 | 107.6° | 106.4° |
| N01 | S02 | C05 | 109.8° | 107.2° |
| S02 | N01 | H4 | 109.5° | 120.0° |
| S02 | N01 | H5 | 109.5° | 120.0° |
| O04 | S02 | C05 | 106.9° | 106.4° |
| S02 | C05 | C06 | 120.5° | 120.0° |
| S02 | C05 | C33 | 120.6° | 120.0° |
| C05 | C06 | C07 | 120.2° | 120.0° |
| C06 | C05 | C33 | 119.0° | 120.0° |
| C05 | C06 | H6 | 119.9° | 120.0° |
| C06 | C07 | C08 | 120.6° | 120.0° |
| C07 | C06 | H6 | 119.9° | 120.0° |
| C06 | C07 | H7 | 119.7° | 120.0° |
| O30 | C29 | O31 | 130.3° | 119.9° |
| O30 | C29 | C26 | 114.2° | 120.1° |
| C05 | C33 | C32 | 120.8° | 120.0° |
| C05 | C33 | H14 | 119.6° | 120.0° |
| O31 | C29 | C26 | 115.4° | 120.0° |
| C29 | O31 | H12 | 109.5° | 117.0° |
| C29 | C26 | C27 | 125.1° | 122.5° |
| C29 | C26 | N25 | 121.1° | 122.6° |
| C27 | C26 | N25 | 113.7° | 115.0° |
| C26 | C27 | S28 | 110.5° | 109.2° |
| C26 | C27 | H3 | 124.8° | 125.4° |
| C26 | N25 | C24 | 113.1° | 115.7° |
| C07 | C08 | C32 | 119.0° | 120.0° |
| C07 | C08 | C09 | 120.6° | 120.0° |
| C08 | C07 | H7 | 119.7° | 120.0° |
| C27 | S28 | C24 | 88.2° | 90.7° |
| S28 | C27 | H3 | 124.7° | 125.4° |
| N25 | C24 | S28 | 114.5° | 109.5° |
| N25 | C24 | N13 | 129.6° | 125.3° |
| S28 | C24 | N13 | 115.6° | 125.2° |
| C24 | N13 | N14 | 125.7° | 126.0° |
| C24 | N13 | C11 | 123.3° | 126.0° |
| C33 | C32 | C08 | 120.5° | 120.0° |
| C33 | C32 | H13 | 119.8° | 120.0° |
| C32 | C33 | H14 | 119.6° | 120.0° |
| N14 | N13 | C11 | 110.6° | 108.0° |
| N13 | N14 | C15 | 106.6° | 108.3° |
| N13 | C11 | O12 | 127.5° | 126.2° |
| N13 | C11 | C10 | 106.9° | 107.7° |
| N14 | C15 | C10 | 108.6° | 108.1° |
| N14 | C15 | C16 | 122.0° | 125.9° |
| F23 | C21 | C22 | 121.3° | 120.0° |
| F23 | C21 | C19 | 118.6° | 119.9° |
| C32 | C08 | C09 | 120.3° | 120.0° |
| C08 | C32 | H13 | 119.8° | 120.0° |
| C08 | C09 | C10 | 117.1° | 109.5° |
| C08 | C09 | H8 | 107.5° | 109.5° |
| C08 | C09 | H9 | 107.5° | 109.5° |
| C21 | C22 | C16 | 119.2° | 119.9° |
| C22 | C21 | C19 | 120.1° | 120.1° |
| C21 | C22 | H2 | 120.4° | 120.1° |
| C22 | C16 | C15 | 122.5° | 120.1° |
| C22 | C16 | C17 | 119.3° | 119.8° |
| C16 | C22 | H2 | 120.4° | 120.0° |
| O12 | C11 | C10 | 125.6° | 126.1° |
| C11 | O12 | H15 | 109.5° | 114.1° |
| C11 | C10 | C15 | 107.2° | 107.9° |
| C11 | C10 | C09 | 125.0° | 126.1° |
| C10 | C15 | C16 | 129.4° | 125.9° |
| C15 | C10 | C09 | 127.8° | 126.0° |
| C15 | C16 | C17 | 118.2° | 120.1° |
| C21 | C19 | F20 | 119.2° | 120.0° |
| C21 | C19 | C18 | 119.1° | 120.1° |
| C10 | C09 | H8 | 107.5° | 109.5° |
| C10 | C09 | H9 | 107.5° | 109.4° |
| C16 | C17 | C18 | 122.1° | 119.9° |
| C16 | C17 | H11 | 119.0° | 120.1° |
| F20 | C19 | C18 | 121.7° | 119.9° |
| C19 | C18 | C17 | 120.2° | 120.1° |
| C19 | C18 | H1 | 119.9° | 119.9° |
| C17 | C18 | H1 | 119.9° | 120.0° |
| C18 | C17 | H11 | 118.9° | 120.0° |
| H4 | N01 | H5 | 109.5° | 120.0° |
| H8 | C09 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | S02 | N01 | O04 | 125.5° | 132.9° |
| O03 | S02 | N01 | C05 | 118.5° | 113.6° |
| O03 | S02 | O04 | C05 | 123.0° | 122.9° |
| O03 | S02 | C05 | C06 | 45.7° | 156.7° |
| O03 | S02 | C05 | C33 | 133.8° | 23.6° |
| O03 | S02 | N01 | H4 | 180.0° | 66.5° |
| O03 | S02 | N01 | H5 | 60.0° | 113.6° |
| N01 | S02 | O04 | C05 | 117.9° | 114.1° |
| N01 | S02 | C05 | C06 | 70.7° | 89.7° |
| N01 | S02 | C05 | C33 | 109.7° | 90.0° |
| S02 | N01 | H4 | H5 | 120.0° | 179.9° |
| O04 | S02 | C05 | C06 | 172.8° | 23.8° |
| O04 | S02 | C05 | C33 | 6.7° | 156.4° |
| O04 | S02 | N01 | H4 | 54.6° | 66.4° |
| O04 | S02 | N01 | H5 | 65.5° | 113.5° |
| S02 | C05 | C06 | C33 | 179.6° | 179.7° |
| S02 | C05 | C06 | C07 | 179.9° | 180.0° |
| S02 | C05 | C33 | C32 | 179.9° | 179.8° |
| C05 | S02 | N01 | H4 | 61.4° | 179.9° |
| C05 | S02 | N01 | H5 | 178.5° | 0.0° |
| S02 | C05 | C06 | H6 | 0.1° | 0.0° |
| S02 | C05 | C33 | H14 | 0.1° | 0.0° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.1° | 0.1° |
| C06 | C05 | C33 | C32 | 0.3° | 0.5° |
| C05 | C06 | C07 | H7 | 179.9° | 180.0° |
| C06 | C05 | C33 | H14 | 179.7° | 179.7° |
| C07 | C06 | C05 | C33 | 0.4° | 0.2° |
| C06 | C07 | C08 | H7 | 180.0° | 179.9° |
| C06 | C07 | C08 | C32 | 0.2° | 0.1° |
| C06 | C07 | C08 | C09 | 180.0° | 180.0° |
| O30 | C29 | O31 | C26 | 176.4° | 180.0° |
| O30 | C29 | C26 | C27 | 3.5° | 0.0° |
| O30 | C29 | C26 | N25 | 178.8° | 179.7° |
| O30 | C29 | O31 | H12 | 0.0° | 0.1° |
| C05 | C33 | C32 | H14 | 180.0° | 179.8° |
| C05 | C33 | C32 | C08 | 0.0° | 0.5° |
| C33 | C05 | C06 | H6 | 179.7° | 179.8° |
| C05 | C33 | C32 | H13 | 180.0° | 179.8° |
| O31 | C29 | C26 | C27 | 173.5° | 179.9° |
| O31 | C29 | C26 | N25 | 4.2° | 0.3° |
| C29 | C26 | C27 | N25 | 177.9° | 179.7° |
| C29 | C26 | C27 | S28 | 177.9° | 179.8° |
| C29 | C26 | N25 | C24 | 179.8° | 179.7° |
| C29 | C26 | C27 | H3 | 2.1° | 0.3° |
| C26 | C29 | O31 | H12 | 176.4° | 180.0° |
| C26 | C27 | S28 | H3 | 180.0° | 179.9° |
| C27 | C26 | N25 | C24 | 1.9° | 0.0° |
| C26 | C27 | S28 | C24 | 1.1° | 0.0° |
| N25 | C26 | C27 | S28 | 0.1° | 0.0° |
| C26 | N25 | C24 | S28 | 2.8° | 0.0° |
| C26 | N25 | C24 | N13 | 176.1° | 180.0° |
| N25 | C26 | C27 | H3 | 179.9° | 179.9° |
| C07 | C08 | C32 | C33 | 0.3° | 0.2° |
| C07 | C08 | C32 | C09 | 179.8° | 180.0° |
| C07 | C08 | C09 | C10 | 45.3° | 90.0° |
| C08 | C07 | C06 | H6 | 179.9° | 180.0° |
| C07 | C08 | C09 | H8 | 166.4° | 30.0° |
| C07 | C08 | C09 | H9 | 75.7° | 150.0° |
| C07 | C08 | C32 | H13 | 179.7° | 180.0° |
| C27 | S28 | C24 | N25 | 2.3° | 0.0° |
| C27 | S28 | C24 | N13 | 176.6° | 180.0° |
| N25 | C24 | S28 | N13 | 174.3° | 179.9° |
| N25 | C24 | N13 | N14 | 168.7° | 0.0° |
| N25 | C24 | N13 | C11 | 18.5° | 179.7° |
| S28 | C24 | N13 | N14 | 18.0° | 179.9° |
| S28 | C24 | N13 | C11 | 154.8° | 0.3° |
| C24 | S28 | C27 | H3 | 178.8° | 179.9° |
| C24 | N13 | N14 | C11 | 173.6° | 179.8° |
| C24 | N13 | N14 | C15 | 176.4° | 180.0° |
| C24 | N13 | C11 | O12 | 5.0° | 0.2° |
| C24 | N13 | C11 | C10 | 175.9° | 179.7° |
| C33 | C32 | C08 | H13 | 180.0° | 179.8° |
| C33 | C32 | C08 | C09 | 179.9° | 179.8° |
| N14 | N13 | C11 | O12 | 178.9° | 179.9° |
| N14 | N13 | C11 | C10 | 2.1° | 0.0° |
| N13 | N14 | C15 | C10 | 2.3° | 0.4° |
| N13 | N14 | C15 | C16 | 179.9° | 180.0° |
| C11 | N13 | N14 | C15 | 2.8° | 0.2° |
| N13 | C11 | O12 | C10 | 178.9° | 179.9° |
| N13 | C11 | C10 | C15 | 0.6° | 0.3° |
| N13 | C11 | C10 | C09 | 178.9° | 180.0° |
| N13 | C11 | O12 | H15 | 180.0° | 89.9° |
| N14 | C15 | C16 | C22 | 133.0° | 43.7° |
| N14 | C15 | C10 | C11 | 1.1° | 0.4° |
| N14 | C15 | C10 | C16 | 177.4° | 179.6° |
| N14 | C15 | C10 | C09 | 179.4° | 179.9° |
| N14 | C15 | C16 | C17 | 48.9° | 136.0° |
| F23 | C21 | C22 | C19 | 179.9° | 179.7° |
| F23 | C21 | C22 | C16 | 179.4° | 180.0° |
| F23 | C21 | C19 | F20 | 0.1° | 0.3° |
| F23 | C21 | C19 | C18 | 180.0° | 179.7° |
| F23 | C21 | C22 | H2 | 0.6° | 0.2° |
| C32 | C08 | C09 | C10 | 134.5° | 89.9° |
| C32 | C08 | C07 | H7 | 179.8° | 180.0° |
| C32 | C08 | C09 | H8 | 13.4° | 150.0° |
| C32 | C08 | C09 | H9 | 104.4° | 30.0° |
| C08 | C32 | C33 | H14 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 98.8° | 84.8° |
| C08 | C09 | C10 | C15 | 80.6° | 94.8° |
| C08 | C09 | C10 | H8 | 121.1° | 120.0° |
| C08 | C09 | C10 | H9 | 121.1° | 120.0° |
| C09 | C08 | C07 | H7 | 0.0° | 0.0° |
| C08 | C09 | H8 | H9 | 116.5° | 120.0° |
| C09 | C08 | C32 | H13 | 0.1° | 0.0° |
| C21 | C22 | C16 | H2 | 180.0° | 179.7° |
| C21 | C22 | C16 | C15 | 179.0° | 180.0° |
| C21 | C22 | C16 | C17 | 1.0° | 0.3° |
| C22 | C21 | C19 | F20 | 180.0° | 180.0° |
| C22 | C21 | C19 | C18 | 0.1° | 0.0° |
| C22 | C16 | C15 | C10 | 49.9° | 136.7° |
| C22 | C16 | C15 | C17 | 178.1° | 179.7° |
| C16 | C22 | C21 | C19 | 0.4° | 0.3° |
| C22 | C16 | C17 | C18 | 1.0° | 0.0° |
| C22 | C16 | C17 | H11 | 179.1° | 180.0° |
| O12 | C11 | C10 | C15 | 179.7° | 179.8° |
| O12 | C11 | C10 | C09 | 0.1° | 0.1° |
| C11 | C10 | C15 | C09 | 179.5° | 179.7° |
| C11 | C10 | C15 | C16 | 178.4° | 180.0° |
| C11 | C10 | C09 | H8 | 140.1° | 155.1° |
| C11 | C10 | C09 | H9 | 22.3° | 35.2° |
| C10 | C11 | O12 | H15 | 1.1° | 90.0° |
| C10 | C15 | C16 | C17 | 128.2° | 43.5° |
| C15 | C10 | C09 | H8 | 40.4° | 25.2° |
| C15 | C10 | C09 | H9 | 158.3° | 145.1° |
| C16 | C15 | C10 | C09 | 2.0° | 0.3° |
| C15 | C16 | C17 | C18 | 179.1° | 179.7° |
| C15 | C16 | C22 | H2 | 0.9° | 0.3° |
| C15 | C16 | C17 | H11 | 0.9° | 0.2° |
| C21 | C19 | F20 | C18 | 179.9° | 180.0° |
| C21 | C19 | C18 | C17 | 0.1° | 0.3° |
| C21 | C19 | C18 | H1 | 179.9° | 180.0° |
| C19 | C21 | C22 | H2 | 179.5° | 180.0° |
| C10 | C09 | H8 | H9 | 116.5° | 119.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.3° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | C17 | C18 | H1 | 179.6° | 180.0° |
| C17 | C16 | C22 | H2 | 179.0° | 180.0° |
| F20 | C19 | C18 | C17 | 180.0° | 179.7° |
| F20 | C19 | C18 | H1 | 0.0° | 0.0° |
| C19 | C18 | C17 | H1 | 180.0° | 179.7° |
| C19 | C18 | C17 | H11 | 179.6° | 179.8° |
| H1 | C18 | C17 | H11 | 0.4° | 0.1° |
| H6 | C06 | C07 | H7 | 0.1° | 0.0° |
| H13 | C32 | C33 | H14 | 0.0° | 0.1° |
