T9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O16 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| O16 | C15 | sing | 1.43Å | 1.44Å | |
| C18 | N13 | sing | 1.47Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| N13 | C14 | sing | 1.47Å | 1.42Å | |
| N13 | C12 | sing | 1.47Å | 1.49Å | |
| C12 | C09 | sing | 1.51Å | 1.58Å | |
| C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.41Å | Aromatic |
| C09 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C07 | C05 | doub | 1.41Å | 1.44Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.39Å | |
| C10 | C04 | doub | 1.41Å | 1.44Å | Aromatic |
| C05 | C04 | sing | 1.42Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.44Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C01 | doub | 1.36Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.42Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| N13 | H17 | sing | 1.01Å | 1.00Å | |
| O11 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C17 | C18 | 113.1° | 109.3° |
| C17 | O16 | C15 | 115.8° | 113.6° |
| O16 | C17 | H3 | 108.5° | 109.5° |
| O16 | C17 | H4 | 108.5° | 109.5° |
| C17 | C18 | N13 | 112.4° | 109.4° |
| C18 | C17 | H3 | 108.5° | 109.5° |
| C18 | C17 | H4 | 108.5° | 109.5° |
| C17 | C18 | H15 | 108.7° | 109.5° |
| C17 | C18 | H16 | 108.7° | 109.5° |
| O16 | C15 | C14 | 113.6° | 109.2° |
| O16 | C15 | H1 | 108.4° | 109.5° |
| O16 | C15 | H2 | 108.4° | 109.5° |
| C18 | N13 | C14 | 111.9° | 109.4° |
| C18 | N13 | C12 | 106.2° | 109.5° |
| N13 | C18 | H15 | 108.7° | 109.5° |
| N13 | C18 | H16 | 108.7° | 109.5° |
| C18 | N13 | H17 | 110.9° | 109.5° |
| C15 | C14 | N13 | 113.8° | 109.4° |
| C14 | C15 | H1 | 108.5° | 109.5° |
| C14 | C15 | H2 | 108.4° | 109.5° |
| C15 | C14 | H13 | 108.4° | 109.4° |
| C15 | C14 | H14 | 108.4° | 109.4° |
| C14 | N13 | C12 | 106.1° | 109.4° |
| N13 | C14 | H13 | 108.4° | 109.6° |
| N13 | C14 | H14 | 108.4° | 109.5° |
| C14 | N13 | H17 | 111.3° | 109.5° |
| N13 | C12 | C09 | 114.0° | 109.5° |
| N13 | C12 | H11 | 108.3° | 109.5° |
| N13 | C12 | H12 | 108.3° | 109.5° |
| C12 | N13 | H17 | 110.2° | 109.5° |
| C12 | C09 | C08 | 118.4° | 119.5° |
| C12 | C09 | C10 | 120.6° | 119.5° |
| C09 | C12 | H11 | 108.3° | 109.4° |
| C09 | C12 | H12 | 108.3° | 109.5° |
| C09 | C08 | C07 | 119.1° | 121.0° |
| C08 | C09 | C10 | 121.0° | 121.0° |
| C09 | C08 | H10 | 120.5° | 119.5° |
| C08 | C07 | C05 | 119.9° | 119.8° |
| C08 | C07 | H9 | 120.0° | 120.1° |
| C07 | C08 | H10 | 120.5° | 119.5° |
| C09 | C10 | O11 | 120.0° | 120.3° |
| C09 | C10 | C04 | 120.1° | 119.5° |
| C07 | C05 | C04 | 120.8° | 119.4° |
| C07 | C05 | C06 | 119.9° | 121.3° |
| C05 | C07 | H9 | 120.1° | 120.1° |
| O11 | C10 | C04 | 119.9° | 120.2° |
| C10 | O11 | H18 | 109.5° | 114.0° |
| C10 | C04 | C05 | 119.2° | 119.3° |
| C10 | C04 | C03 | 120.5° | 121.3° |
| C04 | C05 | C06 | 119.3° | 119.3° |
| C05 | C04 | C03 | 120.3° | 119.4° |
| C05 | C06 | C01 | 120.7° | 119.6° |
| C05 | C06 | H8 | 119.6° | 120.2° |
| C04 | C03 | C02 | 120.5° | 119.7° |
| C04 | C03 | H7 | 119.8° | 120.2° |
| C06 | C01 | C02 | 120.1° | 121.0° |
| C06 | C01 | H5 | 119.9° | 119.5° |
| C01 | C06 | H8 | 119.6° | 120.2° |
| C03 | C02 | C01 | 119.1° | 120.9° |
| C03 | C02 | H6 | 120.4° | 119.5° |
| C02 | C03 | H7 | 119.8° | 120.1° |
| C02 | C01 | H5 | 120.0° | 119.5° |
| C01 | C02 | H6 | 120.4° | 119.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C17 | C18 | H3 | 120.5° | 119.9° |
| O16 | C17 | C18 | H4 | 120.5° | 119.9° |
| O16 | C17 | C18 | N13 | 50.2° | 57.7° |
| C17 | O16 | C15 | C14 | 42.2° | 57.9° |
| C17 | O16 | C15 | H1 | 162.9° | 62.0° |
| C17 | O16 | C15 | H2 | 78.4° | 177.8° |
| O16 | C17 | H3 | H4 | 118.3° | 120.1° |
| O16 | C17 | C18 | H15 | 170.6° | 177.6° |
| O16 | C17 | C18 | H16 | 70.3° | 62.3° |
| C18 | C17 | O16 | C15 | 44.5° | 57.9° |
| C17 | C18 | N13 | H15 | 120.4° | 120.0° |
| C17 | C18 | N13 | H16 | 120.4° | 120.0° |
| C17 | C18 | N13 | C14 | 54.3° | 60.1° |
| C17 | C18 | N13 | C12 | 169.6° | 180.0° |
| C18 | C17 | H3 | H4 | 118.4° | 120.1° |
| C17 | C18 | H15 | H16 | 118.6° | 120.0° |
| C17 | C18 | N13 | H17 | 70.7° | 59.9° |
| O16 | C15 | C14 | H1 | 120.6° | 119.9° |
| O16 | C15 | C14 | H2 | 120.6° | 119.9° |
| O16 | C15 | C14 | N13 | 46.1° | 57.7° |
| O16 | C15 | H1 | H2 | 118.1° | 120.1° |
| C15 | O16 | C17 | H3 | 76.0° | 177.9° |
| C15 | O16 | C17 | H4 | 165.1° | 62.0° |
| O16 | C15 | C14 | H13 | 74.6° | 62.3° |
| O16 | C15 | C14 | H14 | 166.7° | 177.7° |
| C18 | N13 | C14 | C15 | 52.4° | 60.1° |
| C18 | N13 | C14 | C12 | 115.4° | 119.9° |
| C18 | N13 | C14 | H17 | 124.8° | 120.0° |
| C18 | N13 | C12 | H17 | 120.2° | 120.1° |
| C18 | N13 | C12 | C09 | 77.9° | 175.0° |
| N13 | C18 | C17 | H3 | 70.4° | 177.6° |
| N13 | C18 | C17 | H4 | 170.7° | 62.3° |
| C18 | N13 | C12 | H11 | 42.8° | 65.0° |
| C18 | N13 | C12 | H12 | 161.5° | 55.0° |
| C18 | N13 | C14 | H13 | 68.2° | 59.9° |
| C18 | N13 | C14 | H14 | 173.0° | 180.0° |
| N13 | C18 | H15 | H16 | 118.7° | 120.1° |
| C15 | C14 | N13 | H13 | 120.6° | 120.0° |
| C15 | C14 | N13 | H14 | 120.6° | 119.9° |
| C15 | C14 | N13 | C12 | 167.8° | 180.0° |
| C14 | C15 | H1 | H2 | 118.1° | 120.1° |
| C15 | C14 | H13 | H14 | 118.0° | 120.0° |
| C15 | C14 | N13 | H17 | 72.4° | 60.0° |
| C14 | N13 | C12 | H17 | 120.6° | 120.0° |
| C14 | N13 | C12 | C09 | 162.9° | 65.1° |
| N13 | C14 | C15 | H1 | 166.7° | 62.2° |
| N13 | C14 | C15 | H2 | 74.6° | 177.6° |
| C14 | N13 | C12 | H11 | 76.4° | 54.9° |
| C14 | N13 | C12 | H12 | 42.2° | 174.9° |
| N13 | C14 | H13 | H14 | 118.0° | 120.1° |
| C14 | N13 | C18 | H15 | 174.7° | 179.9° |
| C14 | N13 | C18 | H16 | 66.1° | 59.9° |
| N13 | C12 | C09 | H11 | 120.7° | 120.1° |
| N13 | C12 | C09 | H12 | 120.6° | 120.0° |
| N13 | C12 | C09 | C08 | 142.5° | 100.0° |
| N13 | C12 | C09 | C10 | 37.7° | 79.5° |
| N13 | C12 | H11 | H12 | 117.9° | 120.0° |
| C12 | N13 | C14 | H13 | 47.1° | 60.0° |
| C12 | N13 | C14 | H14 | 71.6° | 60.1° |
| C12 | N13 | C18 | H15 | 70.0° | 60.0° |
| C12 | N13 | C18 | H16 | 49.2° | 60.0° |
| C12 | C09 | C08 | C10 | 179.8° | 179.5° |
| C12 | C09 | C08 | C07 | 179.4° | 180.0° |
| C12 | C09 | C10 | O11 | 0.6° | 0.2° |
| C12 | C09 | C10 | C04 | 179.1° | 180.0° |
| C12 | C09 | C08 | H10 | 0.6° | 0.5° |
| C09 | C12 | H11 | H12 | 117.9° | 120.0° |
| C09 | C12 | N13 | H17 | 42.3° | 54.9° |
| C09 | C08 | C07 | H10 | 180.0° | 179.5° |
| C09 | C08 | C07 | C05 | 0.1° | 0.2° |
| C08 | C09 | C10 | O11 | 179.6° | 179.8° |
| C08 | C09 | C10 | C04 | 0.7° | 0.5° |
| C09 | C08 | C07 | H9 | 179.9° | 179.8° |
| C08 | C09 | C12 | H11 | 21.8° | 20.0° |
| C08 | C09 | C12 | H12 | 96.9° | 140.0° |
| C07 | C08 | C09 | C10 | 0.4° | 0.4° |
| C08 | C07 | C05 | H9 | 180.0° | 180.0° |
| C08 | C07 | C05 | C04 | 0.3° | 0.1° |
| C08 | C07 | C05 | C06 | 179.7° | 180.0° |
| C09 | C10 | O11 | C04 | 179.7° | 179.8° |
| C09 | C10 | C04 | C05 | 0.5° | 0.2° |
| C09 | C10 | C04 | C03 | 180.0° | 179.7° |
| C10 | C09 | C08 | H10 | 179.6° | 180.0° |
| C10 | C09 | C12 | H11 | 158.4° | 160.4° |
| C10 | C09 | C12 | H12 | 83.0° | 40.5° |
| C09 | C10 | O11 | H18 | 180.0° | 90.2° |
| C07 | C05 | C04 | C10 | 0.0° | 0.0° |
| C07 | C05 | C04 | C06 | 180.0° | 180.0° |
| C07 | C05 | C04 | C03 | 179.5° | 180.0° |
| C07 | C05 | C06 | C01 | 179.9° | 180.0° |
| C07 | C05 | C06 | H8 | 0.1° | 0.0° |
| C05 | C07 | C08 | H10 | 179.9° | 179.7° |
| O11 | C10 | C04 | C05 | 179.8° | 180.0° |
| O11 | C10 | C04 | C03 | 0.3° | 0.1° |
| C10 | C04 | C05 | C03 | 179.5° | 179.9° |
| C10 | C04 | C05 | C06 | 179.9° | 180.0° |
| C10 | C04 | C03 | C02 | 179.7° | 180.0° |
| C10 | C04 | C03 | H7 | 0.2° | 0.0° |
| C04 | C10 | O11 | H18 | 0.3° | 90.0° |
| C04 | C05 | C06 | C01 | 0.2° | 0.0° |
| C05 | C04 | C03 | C02 | 0.3° | 0.1° |
| C05 | C04 | C03 | H7 | 179.7° | 179.9° |
| C04 | C05 | C06 | H8 | 179.9° | 180.0° |
| C04 | C05 | C07 | H9 | 179.7° | 180.0° |
| C06 | C05 | C04 | C03 | 0.6° | 0.1° |
| C05 | C06 | C01 | H8 | 180.0° | 180.0° |
| C05 | C06 | C01 | C02 | 0.6° | 0.0° |
| C05 | C06 | C01 | H5 | 179.4° | 180.0° |
| C06 | C05 | C07 | H9 | 0.4° | 0.0° |
| C04 | C03 | C02 | H7 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C04 | C03 | C02 | H6 | 179.5° | 180.0° |
| C06 | C01 | C02 | C03 | 0.9° | 0.0° |
| C06 | C01 | C02 | H5 | 180.0° | 179.9° |
| C06 | C01 | C02 | H6 | 179.1° | 179.9° |
| C03 | C02 | C01 | H6 | 180.0° | 179.9° |
| C03 | C02 | C01 | H5 | 179.1° | 179.9° |
| C01 | C02 | C03 | H7 | 179.5° | 180.0° |
| C02 | C01 | C06 | H8 | 179.4° | 180.0° |
| H1 | C15 | C14 | H13 | 46.0° | 177.7° |
| H1 | C15 | C14 | H14 | 72.7° | 57.7° |
| H2 | C15 | C14 | H13 | 164.8° | 57.6° |
| H2 | C15 | C14 | H14 | 46.1° | 62.4° |
| H3 | C17 | C18 | H15 | 50.1° | 62.4° |
| H3 | C17 | C18 | H16 | 169.2° | 57.6° |
| H4 | C17 | C18 | H15 | 68.9° | 57.7° |
| H4 | C17 | C18 | H16 | 50.2° | 177.7° |
| H5 | C01 | C02 | H6 | 0.9° | 0.0° |
| H5 | C01 | C06 | H8 | 0.6° | 0.1° |
| H6 | C02 | C03 | H7 | 0.4° | 0.0° |
| H9 | C07 | C08 | H10 | 0.1° | 0.3° |
| H11 | C12 | N13 | H17 | 163.0° | 174.9° |
| H12 | C12 | N13 | H17 | 78.3° | 65.1° |
| H13 | C14 | N13 | H17 | 167.0° | 179.9° |
| H14 | C14 | N13 | H17 | 48.3° | 60.0° |
| H15 | C18 | N13 | H17 | 49.8° | 60.1° |
| H16 | C18 | N13 | H17 | 168.9° | 179.9° |
