ZE9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.21Å | 1.20Å | |
| C17 | C19 | sing | 1.51Å | 1.53Å | |
| C17 | N09 | sing | 1.35Å | 1.45Å | |
| O13 | C14 | sing | 1.34Å | 1.35Å | Aromatic |
| O13 | C12 | sing | 1.34Å | 1.35Å | Aromatic |
| N09 | C10 | sing | 1.47Å | 1.49Å | |
| N09 | N08 | sing | 1.37Å | 1.42Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.55Å | 1.50Å | |
| C14 | C15 | doub | 1.35Å | 1.39Å | Aromatic |
| C12 | C16 | doub | 1.35Å | 1.39Å | Aromatic |
| C11 | C07 | sing | 1.55Å | 1.50Å | |
| C15 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| N08 | C07 | sing | 1.49Å | 1.47Å | |
| C07 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | O03 | sing | 1.34Å | 1.34Å | Aromatic |
| C04 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
| O03 | C02 | sing | 1.34Å | 1.34Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.39Å | Aromatic |
| C02 | C06 | doub | 1.35Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| N08 | H9 | sing | 1.01Å | 1.00Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C19 | 121.4° | 120.0° |
| O18 | C17 | N09 | 121.2° | 120.0° |
| C19 | C17 | N09 | 117.4° | 120.0° |
| C17 | C19 | H14 | 109.5° | 109.5° |
| C17 | C19 | H15 | 109.5° | 109.4° |
| C17 | C19 | H16 | 109.4° | 109.5° |
| C17 | N09 | C10 | 126.7° | 125.1° |
| C17 | N09 | N08 | 124.6° | 125.1° |
| C14 | O13 | C12 | 109.7° | 109.4° |
| O13 | C14 | C15 | 108.0° | 108.5° |
| O13 | C14 | H12 | 126.0° | 125.8° |
| O13 | C12 | C10 | 124.5° | 125.8° |
| O13 | C12 | C16 | 108.1° | 108.4° |
| C10 | N09 | N08 | 108.6° | 109.8° |
| N09 | C10 | C12 | 112.5° | 110.3° |
| N09 | C10 | C11 | 105.2° | 105.4° |
| N09 | C10 | H1 | 110.9° | 110.4° |
| N09 | N08 | C07 | 108.4° | 107.1° |
| N09 | N08 | H9 | 109.7° | 111.0° |
| C12 | C10 | C11 | 107.1° | 110.2° |
| C10 | C12 | C16 | 127.3° | 125.8° |
| C12 | C10 | H1 | 110.3° | 110.2° |
| C10 | C11 | C07 | 104.3° | 101.2° |
| C11 | C10 | H1 | 110.7° | 110.3° |
| C10 | C11 | H10 | 110.8° | 111.0° |
| C10 | C11 | H11 | 110.7° | 111.1° |
| C14 | C15 | C16 | 107.3° | 106.8° |
| C14 | C15 | H2 | 126.3° | 126.6° |
| C15 | C14 | H12 | 126.0° | 125.8° |
| C12 | C16 | C15 | 106.9° | 106.9° |
| C12 | C16 | H13 | 126.5° | 126.5° |
| C11 | C07 | N08 | 107.0° | 101.8° |
| C11 | C07 | C04 | 127.7° | 111.0° |
| C11 | C07 | H8 | 93.2° | 111.0° |
| C07 | C11 | H10 | 110.7° | 111.1° |
| C07 | C11 | H11 | 110.7° | 111.1° |
| C16 | C15 | H2 | 126.4° | 126.6° |
| C15 | C16 | H13 | 126.5° | 126.6° |
| N08 | C07 | C04 | 124.3° | 110.9° |
| N08 | C07 | H8 | 93.3° | 111.0° |
| C07 | N08 | H9 | 109.7° | 111.0° |
| C07 | C04 | O03 | 124.6° | 125.8° |
| C07 | C04 | C05 | 126.8° | 125.8° |
| C04 | C07 | H8 | 93.1° | 110.9° |
| O03 | C04 | C05 | 108.6° | 108.4° |
| C04 | O03 | C02 | 109.4° | 109.5° |
| C04 | C05 | C06 | 106.7° | 106.8° |
| C04 | C05 | H6 | 126.6° | 126.5° |
| O03 | C02 | C06 | 108.4° | 108.5° |
| O03 | C02 | C01 | 125.3° | 125.8° |
| C05 | C06 | C02 | 106.9° | 106.8° |
| C06 | C05 | H6 | 126.7° | 126.6° |
| C05 | C06 | H7 | 126.5° | 126.5° |
| C06 | C02 | C01 | 126.3° | 125.8° |
| C02 | C06 | H7 | 126.5° | 126.7° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 111.0° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C19 | N09 | 178.2° | 180.0° |
| O18 | C17 | N09 | C10 | 5.6° | 0.0° |
| O18 | C17 | N09 | N08 | 179.4° | 180.0° |
| O18 | C17 | C19 | H14 | 0.0° | 119.9° |
| O18 | C17 | C19 | H15 | 120.0° | 0.0° |
| O18 | C17 | C19 | H16 | 120.0° | 119.9° |
| C19 | C17 | N09 | C10 | 176.2° | 180.0° |
| C19 | C17 | N09 | N08 | 1.2° | 0.0° |
| C17 | C19 | H14 | H15 | 120.0° | 120.0° |
| C17 | C19 | H14 | H16 | 120.0° | 120.1° |
| C17 | C19 | H15 | H16 | 120.0° | 119.9° |
| C17 | N09 | C10 | N08 | 175.6° | 180.0° |
| C17 | N09 | C10 | C12 | 79.7° | 64.1° |
| C17 | N09 | C10 | C11 | 164.1° | 176.9° |
| C17 | N09 | N08 | C07 | 177.9° | 153.5° |
| C17 | N09 | C10 | H1 | 44.3° | 57.9° |
| C17 | N09 | N08 | H9 | 62.3° | 85.2° |
| N09 | C17 | C19 | H14 | 178.2° | 60.1° |
| N09 | C17 | C19 | H15 | 58.2° | 180.0° |
| N09 | C17 | C19 | H16 | 61.8° | 60.0° |
| C14 | O13 | C12 | C10 | 177.7° | 180.0° |
| O13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C14 | O13 | C12 | C16 | 0.7° | 0.4° |
| O13 | C14 | C15 | C16 | 0.5° | 0.0° |
| O13 | C14 | C15 | H2 | 179.5° | 179.7° |
| O13 | C12 | C10 | N09 | 47.0° | 35.5° |
| O13 | C12 | C10 | C16 | 176.4° | 179.5° |
| O13 | C12 | C10 | C11 | 162.1° | 80.5° |
| C12 | O13 | C14 | C15 | 0.7° | 0.3° |
| O13 | C12 | C16 | C15 | 0.4° | 0.4° |
| O13 | C12 | C10 | H1 | 77.4° | 157.6° |
| C12 | O13 | C14 | H12 | 179.2° | 179.7° |
| O13 | C12 | C16 | H13 | 179.6° | 179.5° |
| N09 | C10 | C12 | C11 | 115.1° | 116.0° |
| N09 | C10 | C12 | H1 | 124.4° | 122.1° |
| N09 | C10 | C11 | H1 | 119.9° | 119.1° |
| N09 | C10 | C12 | C16 | 129.4° | 144.0° |
| N09 | C10 | C11 | C07 | 25.6° | 19.9° |
| C10 | N09 | N08 | C07 | 6.3° | 26.5° |
| C10 | N09 | N08 | H9 | 113.5° | 94.8° |
| N09 | C10 | C11 | H10 | 93.5° | 137.8° |
| N09 | C10 | C11 | H11 | 144.7° | 98.1° |
| N08 | N09 | C10 | C12 | 96.0° | 115.9° |
| N08 | N09 | C10 | C11 | 20.3° | 3.1° |
| N09 | N08 | C07 | C11 | 10.1° | 38.4° |
| N09 | N08 | C07 | H9 | 119.8° | 121.3° |
| N09 | N08 | C07 | C04 | 179.7° | 79.7° |
| N08 | N09 | C10 | H1 | 140.0° | 122.1° |
| N09 | N08 | C07 | H8 | 84.2° | 156.6° |
| C12 | C10 | C11 | H1 | 120.2° | 121.9° |
| C12 | C10 | C11 | C07 | 94.3° | 138.9° |
| C10 | C12 | C16 | C15 | 177.3° | 180.0° |
| C12 | C10 | C11 | H10 | 146.6° | 103.2° |
| C12 | C10 | C11 | H11 | 24.9° | 20.9° |
| C10 | C12 | C16 | H13 | 2.8° | 0.1° |
| C11 | C10 | C12 | C16 | 14.3° | 100.0° |
| C10 | C11 | C07 | H10 | 119.2° | 117.9° |
| C10 | C11 | C07 | H11 | 119.2° | 118.0° |
| C10 | C11 | C07 | N08 | 22.2° | 34.2° |
| C10 | C11 | C07 | C04 | 168.7° | 83.9° |
| C10 | C11 | C07 | H8 | 72.2° | 152.4° |
| C10 | C11 | H10 | H11 | 122.4° | 124.1° |
| C14 | C15 | C16 | C12 | 0.0° | 0.2° |
| C14 | C15 | C16 | H2 | 180.0° | 179.7° |
| C14 | C15 | C16 | H13 | 179.9° | 179.7° |
| C12 | C16 | C15 | H13 | 180.0° | 179.9° |
| C16 | C12 | C10 | H1 | 106.3° | 21.9° |
| C12 | C16 | C15 | H2 | 179.9° | 179.9° |
| C11 | C07 | N08 | C04 | 169.6° | 118.1° |
| C11 | C07 | N08 | H8 | 94.4° | 118.1° |
| C11 | C07 | C04 | H8 | 96.5° | 123.8° |
| C11 | C07 | C04 | O03 | 142.2° | 76.9° |
| C11 | C07 | C04 | C05 | 37.9° | 103.2° |
| C07 | C11 | C10 | H1 | 145.5° | 99.2° |
| C11 | C07 | N08 | H9 | 130.0° | 82.9° |
| C07 | C11 | H10 | H11 | 122.4° | 124.1° |
| C16 | C15 | C14 | H12 | 179.5° | 180.0° |
| N08 | C07 | C04 | H8 | 96.1° | 123.9° |
| N08 | C07 | C04 | O03 | 25.1° | 35.5° |
| N08 | C07 | C04 | C05 | 154.8° | 144.5° |
| N08 | C07 | C11 | H10 | 97.0° | 152.1° |
| N08 | C07 | C11 | H11 | 141.4° | 83.9° |
| C07 | C04 | O03 | C05 | 180.0° | 180.0° |
| C07 | C04 | O03 | C02 | 179.7° | 180.0° |
| C07 | C04 | C05 | C06 | 179.9° | 180.0° |
| C07 | C04 | C05 | H6 | 0.1° | 0.1° |
| C04 | C07 | N08 | H9 | 60.5° | 159.0° |
| C04 | C07 | C11 | H10 | 72.1° | 34.0° |
| C04 | C07 | C11 | H11 | 49.5° | 158.1° |
| O03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C04 | O03 | C02 | C06 | 0.4° | 0.0° |
| C04 | O03 | C02 | C01 | 178.9° | 179.8° |
| O03 | C04 | C05 | H6 | 179.8° | 179.9° |
| O03 | C04 | C07 | H8 | 121.3° | 159.3° |
| C05 | C04 | O03 | C02 | 0.3° | 0.0° |
| C04 | C05 | C06 | H6 | 180.0° | 179.9° |
| C04 | C05 | C06 | C02 | 0.0° | 0.1° |
| C04 | C05 | C06 | H7 | 180.0° | 179.8° |
| C05 | C04 | C07 | H8 | 58.7° | 20.6° |
| O03 | C02 | C06 | C05 | 0.2° | 0.0° |
| O03 | C02 | C06 | C01 | 179.2° | 179.8° |
| O03 | C02 | C01 | H3 | 0.0° | 89.7° |
| O03 | C02 | C01 | H4 | 120.0° | 30.3° |
| O03 | C02 | C01 | H5 | 120.0° | 150.3° |
| O03 | C02 | C06 | H7 | 179.8° | 179.7° |
| C05 | C06 | C02 | H7 | 180.0° | 179.7° |
| C05 | C06 | C02 | C01 | 179.0° | 179.7° |
| C06 | C02 | C01 | H3 | 179.1° | 90.0° |
| C06 | C02 | C01 | H4 | 59.1° | 150.0° |
| C06 | C02 | C01 | H5 | 60.9° | 29.9° |
| C02 | C06 | C05 | H6 | 180.0° | 179.9° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C06 | H7 | 1.0° | 0.0° |
| H1 | C10 | C11 | H10 | 26.3° | 18.8° |
| H1 | C10 | C11 | H11 | 95.4° | 142.8° |
| H2 | C15 | C14 | H12 | 0.5° | 0.3° |
| H2 | C15 | C16 | H13 | 0.1° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C05 | C06 | H7 | 0.0° | 0.4° |
| H8 | C07 | N08 | H9 | 35.6° | 35.3° |
| H8 | C07 | C11 | H10 | 168.6° | 89.7° |
| H8 | C07 | C11 | H11 | 46.9° | 34.3° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
