T9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | doub | 1.21Å | 1.18Å | |
| C08 | C10 | sing | 1.51Å | 1.41Å | |
| C08 | N07 | sing | 1.34Å | 1.50Å | |
| O18 | C16 | doub | 1.22Å | 1.26Å | |
| C10 | C11 | sing | 1.54Å | 1.63Å | |
| C16 | O17 | sing | 1.22Å | 1.26Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | O14 | sing | 1.43Å | 1.41Å | |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| N07 | C06 | sing | 1.40Å | 1.45Å | |
| N07 | C12 | sing | 1.34Å | 1.50Å | |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | O14 | sing | 1.36Å | 1.39Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.41Å | |
| C12 | O13 | doub | 1.21Å | 1.19Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C10 | 127.5° | 125.4° |
| O09 | C08 | N07 | 123.2° | 125.5° |
| C10 | C08 | N07 | 109.2° | 109.2° |
| C08 | C10 | C11 | 105.8° | 103.6° |
| C08 | C10 | H1 | 110.4° | 110.6° |
| C08 | C10 | H10 | 110.4° | 110.7° |
| C08 | N07 | C06 | 124.0° | 122.7° |
| C08 | N07 | C12 | 108.8° | 114.5° |
| O18 | C16 | O17 | 121.1° | 120.0° |
| O18 | C16 | C15 | 118.4° | 120.0° |
| C10 | C11 | C12 | 107.4° | 103.6° |
| C11 | C10 | H1 | 110.4° | 110.6° |
| C10 | C11 | H8 | 110.0° | 110.6° |
| C11 | C10 | H10 | 110.3° | 110.6° |
| C10 | C11 | H11 | 110.0° | 110.6° |
| O17 | C16 | C15 | 120.4° | 120.1° |
| C16 | C15 | O14 | 106.0° | 109.4° |
| C16 | C15 | H2 | 110.3° | 109.5° |
| C16 | C15 | H3 | 110.3° | 109.5° |
| C15 | O14 | C03 | 115.1° | 117.0° |
| O14 | C15 | H2 | 110.3° | 109.5° |
| O14 | C15 | H3 | 110.3° | 109.5° |
| C02 | C01 | C06 | 119.5° | 120.0° |
| C01 | C02 | C03 | 119.5° | 120.0° |
| C02 | C01 | H4 | 120.2° | 120.0° |
| C01 | C02 | H5 | 120.3° | 120.0° |
| C01 | C06 | N07 | 119.9° | 120.0° |
| C01 | C06 | C05 | 120.9° | 120.0° |
| C06 | C01 | H4 | 120.2° | 120.1° |
| C02 | C03 | O14 | 119.4° | 120.0° |
| C02 | C03 | C04 | 121.2° | 120.0° |
| C03 | C02 | H5 | 120.2° | 120.0° |
| C06 | N07 | C12 | 127.2° | 122.7° |
| N07 | C06 | C05 | 119.2° | 120.0° |
| N07 | C12 | C11 | 108.2° | 109.2° |
| N07 | C12 | O13 | 124.9° | 125.4° |
| C06 | C05 | C04 | 119.6° | 120.0° |
| C06 | C05 | H7 | 120.2° | 120.0° |
| O14 | C03 | C04 | 119.4° | 120.0° |
| C03 | C04 | C05 | 119.3° | 120.0° |
| C03 | C04 | H6 | 120.3° | 119.9° |
| C05 | C04 | H6 | 120.4° | 120.0° |
| C04 | C05 | H7 | 120.2° | 120.0° |
| C11 | C12 | O13 | 126.9° | 125.4° |
| C12 | C11 | H8 | 110.0° | 110.6° |
| C12 | C11 | H11 | 110.0° | 110.6° |
| H1 | C10 | H10 | 109.5° | 110.6° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H8 | C11 | H11 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C10 | N07 | 179.2° | 180.0° |
| O09 | C08 | C10 | C11 | 176.0° | 180.0° |
| O09 | C08 | N07 | C06 | 2.4° | 0.0° |
| O09 | C08 | N07 | C12 | 179.9° | 180.0° |
| O09 | C08 | C10 | H1 | 64.6° | 61.5° |
| O09 | C08 | C10 | H10 | 56.6° | 61.4° |
| C08 | C10 | C11 | H1 | 119.4° | 118.5° |
| C08 | C10 | C11 | H10 | 119.4° | 118.6° |
| C10 | C08 | N07 | C06 | 178.4° | 180.0° |
| C10 | C08 | N07 | C12 | 0.7° | 0.0° |
| C08 | C10 | C11 | C12 | 7.8° | 0.0° |
| C08 | C10 | H1 | H10 | 121.7° | 122.9° |
| C08 | C10 | C11 | H8 | 127.4° | 118.5° |
| C08 | C10 | C11 | H11 | 111.9° | 118.5° |
| N07 | C08 | C10 | C11 | 4.8° | 0.0° |
| C08 | N07 | C06 | C01 | 42.9° | 67.3° |
| C08 | N07 | C06 | C12 | 177.3° | 180.0° |
| C08 | N07 | C06 | C05 | 135.1° | 112.7° |
| C08 | N07 | C12 | C11 | 4.6° | 0.0° |
| C08 | N07 | C12 | O13 | 174.4° | 180.0° |
| N07 | C08 | C10 | H1 | 114.6° | 118.5° |
| N07 | C08 | C10 | H10 | 124.2° | 118.6° |
| O18 | C16 | O17 | C15 | 179.5° | 179.9° |
| O18 | C16 | C15 | O14 | 22.0° | 180.0° |
| O18 | C16 | C15 | H2 | 97.4° | 60.0° |
| O18 | C16 | C15 | H3 | 141.5° | 60.0° |
| C10 | C11 | C12 | N07 | 7.3° | 0.0° |
| C10 | C11 | C12 | H8 | 119.7° | 118.5° |
| C10 | C11 | C12 | H11 | 119.7° | 118.5° |
| C10 | C11 | C12 | O13 | 171.6° | 180.0° |
| C11 | C10 | H1 | H10 | 121.7° | 122.9° |
| C10 | C11 | H8 | H11 | 121.0° | 122.9° |
| O17 | C16 | C15 | O14 | 157.5° | 0.0° |
| O17 | C16 | C15 | H2 | 83.0° | 120.0° |
| O17 | C16 | C15 | H3 | 38.1° | 120.0° |
| C16 | C15 | O14 | H2 | 119.5° | 120.0° |
| C16 | C15 | O14 | H3 | 119.5° | 120.0° |
| C16 | C15 | O14 | C03 | 163.0° | 180.0° |
| C16 | C15 | H2 | H3 | 121.6° | 120.0° |
| C15 | O14 | C03 | C02 | 161.1° | 180.0° |
| C15 | O14 | C03 | C04 | 19.1° | 0.0° |
| O14 | C15 | H2 | H3 | 121.6° | 120.0° |
| C02 | C01 | C06 | H4 | 180.0° | 179.7° |
| C01 | C02 | C03 | H5 | 180.0° | 180.0° |
| C02 | C01 | C06 | N07 | 178.8° | 180.0° |
| C02 | C01 | C06 | C05 | 0.8° | 0.0° |
| C01 | C02 | C03 | O14 | 179.9° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C06 | C01 | C02 | C03 | 0.6° | 0.0° |
| C01 | C06 | N07 | C05 | 178.0° | 180.0° |
| C01 | C06 | N07 | C12 | 139.8° | 112.7° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C06 | C01 | C02 | H5 | 179.4° | 179.9° |
| C01 | C06 | C05 | H7 | 179.2° | 180.0° |
| C02 | C03 | O14 | C04 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | C01 | H4 | 179.4° | 179.8° |
| C02 | C03 | C04 | H6 | 179.7° | 180.0° |
| N07 | C06 | C05 | C04 | 178.8° | 180.0° |
| C06 | N07 | C12 | C11 | 173.1° | 180.0° |
| C06 | N07 | C12 | O13 | 8.0° | 0.0° |
| N07 | C06 | C01 | H4 | 1.2° | 0.3° |
| N07 | C06 | C05 | H7 | 1.2° | 0.0° |
| C12 | N07 | C06 | C05 | 42.2° | 67.3° |
| N07 | C12 | C11 | O13 | 178.9° | 180.0° |
| N07 | C12 | C11 | H8 | 126.9° | 118.5° |
| N07 | C12 | C11 | H11 | 112.4° | 118.5° |
| C06 | C05 | C04 | C03 | 0.5° | 0.0° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C05 | C06 | C01 | H4 | 179.2° | 179.8° |
| C06 | C05 | C04 | H6 | 179.5° | 180.0° |
| O14 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | O14 | C15 | H2 | 43.5° | 60.0° |
| C03 | O14 | C15 | H3 | 77.6° | 60.1° |
| O14 | C03 | C02 | H5 | 0.1° | 0.1° |
| O14 | C03 | C04 | H6 | 0.1° | 0.0° |
| C03 | C04 | C05 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | H5 | 179.7° | 180.0° |
| C03 | C04 | C05 | H7 | 179.5° | 180.0° |
| C12 | C11 | C10 | H1 | 111.7° | 118.5° |
| C12 | C11 | H8 | H11 | 121.0° | 122.9° |
| C12 | C11 | C10 | H10 | 127.2° | 118.6° |
| O13 | C12 | C11 | H8 | 52.0° | 61.5° |
| O13 | C12 | C11 | H11 | 68.7° | 61.5° |
| H1 | C10 | C11 | H8 | 8.0° | 0.0° |
| H1 | C10 | C11 | H11 | 128.6° | 123.0° |
| H4 | C01 | C02 | H5 | 0.6° | 0.2° |
| H6 | C04 | C05 | H7 | 0.5° | 0.0° |
| H8 | C11 | C10 | H10 | 113.2° | 122.8° |
| H10 | C10 | C11 | H11 | 7.5° | 0.1° |
