E9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.46Å | Aromatic |
| C05 | C08 | sing | 1.48Å | 1.54Å | |
| C06 | C07 | doub | 1.38Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.50Å | |
| C08 | N19 | doub | 1.32Å | 1.43Å | |
| C09 | C10 | doub | 1.36Å | 1.53Å | |
| C10 | C11 | sing | 1.41Å | 1.41Å | |
| C10 | N15 | sing | 1.40Å | 1.38Å | |
| C11 | C12 | doub | 1.39Å | 1.44Å | |
| C11 | C17 | sing | 1.47Å | 1.53Å | |
| C12 | C13 | sing | 1.41Å | 1.37Å | |
| C13 | C14 | doub | 1.34Å | 1.40Å | |
| C14 | N15 | sing | 1.40Å | 1.39Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| C17 | O18 | doub | 1.22Å | 1.27Å | |
| C17 | N19 | sing | 1.34Å | 1.46Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 1.01Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.6° | 119.9° |
| C01 | C02 | C07 | 120.4° | 119.9° |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.5° | 109.5° |
| C02 | C01 | H01B | 109.5° | 109.5° |
| C03 | C02 | C07 | 119.0° | 120.3° |
| C02 | C03 | C04 | 120.9° | 120.2° |
| C02 | C03 | H03 | 119.5° | 119.9° |
| C02 | C07 | C06 | 120.5° | 120.1° |
| C02 | C07 | H07 | 119.7° | 120.0° |
| C03 | C04 | C05 | 120.7° | 119.9° |
| C04 | C03 | H03 | 119.5° | 119.9° |
| C03 | C04 | H04 | 119.7° | 120.1° |
| C04 | C05 | C06 | 118.3° | 119.7° |
| C04 | C05 | C08 | 121.2° | 120.2° |
| C05 | C04 | H04 | 119.6° | 120.1° |
| C06 | C05 | C08 | 120.4° | 120.1° |
| C05 | C06 | C07 | 120.5° | 119.8° |
| C05 | C06 | H06 | 119.7° | 120.1° |
| C05 | C08 | C09 | 119.9° | 118.9° |
| C05 | C08 | N19 | 119.8° | 118.8° |
| C07 | C06 | H06 | 119.8° | 120.0° |
| C06 | C07 | H07 | 119.8° | 119.9° |
| C09 | C08 | N19 | 120.2° | 122.3° |
| C08 | C09 | C10 | 119.6° | 120.0° |
| C08 | C09 | H09 | 120.2° | 120.0° |
| C08 | N19 | C17 | 121.9° | 121.5° |
| C09 | C10 | C11 | 117.5° | 118.8° |
| C09 | C10 | N15 | 122.2° | 121.8° |
| C10 | C09 | H09 | 120.2° | 120.0° |
| C11 | C10 | N15 | 120.3° | 119.4° |
| C10 | C11 | C12 | 120.1° | 119.5° |
| C10 | C11 | C17 | 123.2° | 118.6° |
| C10 | N15 | C14 | 119.7° | 119.7° |
| C10 | N15 | C16 | 126.1° | 107.4° |
| C10 | N15 | H15 | 90.1° | 107.4° |
| C12 | C11 | C17 | 116.7° | 121.9° |
| C11 | C12 | C13 | 117.6° | 119.5° |
| C11 | C12 | H12 | 121.2° | 120.3° |
| C11 | C17 | O18 | 123.6° | 120.6° |
| C11 | C17 | N19 | 117.4° | 118.8° |
| C12 | C13 | C14 | 121.8° | 120.9° |
| C13 | C12 | H12 | 121.2° | 120.2° |
| C12 | C13 | H13 | 119.1° | 119.6° |
| C13 | C14 | N15 | 120.5° | 121.0° |
| C14 | C13 | H13 | 119.1° | 119.5° |
| C13 | C14 | H14 | 119.7° | 119.5° |
| C14 | N15 | C16 | 114.2° | 107.4° |
| N15 | C14 | H14 | 119.8° | 119.5° |
| C14 | N15 | H15 | 90.1° | 107.4° |
| C16 | N15 | H15 | 90.1° | 107.0° |
| N15 | C16 | H16 | 109.5° | 109.5° |
| N15 | C16 | H16A | 109.4° | 109.5° |
| N15 | C16 | H16B | 109.5° | 109.4° |
| O18 | C17 | N19 | 118.9° | 120.6° |
| H01 | C01 | H01A | 109.5° | 109.4° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.4° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C07 | 179.1° | 179.8° |
| C01 | C02 | C03 | C04 | 178.9° | 179.9° |
| C01 | C02 | C07 | C06 | 179.8° | 179.7° |
| C02 | C01 | H01 | H01A | 120.0° | 119.9° |
| C02 | C01 | H01 | H01B | 120.0° | 120.0° |
| C02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | C02 | C03 | H03 | 1.2° | 0.0° |
| C01 | C02 | C07 | H07 | 0.2° | 0.1° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | C02 | C07 | C06 | 1.1° | 0.5° |
| C03 | C02 | C01 | H01 | 89.5° | 90.0° |
| C03 | C02 | C01 | H01A | 150.4° | 150.1° |
| C03 | C02 | C01 | H01B | 30.5° | 30.0° |
| C02 | C03 | C04 | H04 | 179.9° | 180.0° |
| C03 | C02 | C07 | H07 | 178.9° | 179.7° |
| C07 | C02 | C03 | C04 | 0.2° | 0.2° |
| C02 | C07 | C06 | C05 | 2.7° | 0.5° |
| C02 | C07 | C06 | H07 | 180.0° | 179.8° |
| C07 | C02 | C01 | H01 | 89.6° | 90.2° |
| C07 | C02 | C01 | H01A | 30.5° | 29.7° |
| C07 | C02 | C01 | H01B | 150.4° | 149.8° |
| C07 | C02 | C03 | H03 | 179.8° | 179.8° |
| C02 | C07 | C06 | H06 | 177.3° | 179.8° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 1.6° | 0.1° |
| C03 | C04 | C05 | C08 | 177.1° | 180.0° |
| C04 | C05 | C06 | C08 | 175.6° | 180.0° |
| C04 | C05 | C06 | C07 | 2.9° | 0.2° |
| C04 | C05 | C08 | C09 | 170.3° | 180.0° |
| C04 | C05 | C08 | N19 | 5.1° | 0.3° |
| C05 | C04 | C03 | H03 | 179.9° | 180.0° |
| C04 | C05 | C06 | H06 | 177.1° | 179.9° |
| C05 | C06 | C07 | H06 | 180.0° | 179.7° |
| C06 | C05 | C08 | C09 | 5.1° | 0.0° |
| C06 | C05 | C08 | N19 | 179.4° | 179.7° |
| C06 | C05 | C04 | H04 | 178.4° | 180.0° |
| C05 | C06 | C07 | H07 | 177.3° | 179.7° |
| C08 | C05 | C06 | C07 | 178.5° | 179.7° |
| C05 | C08 | C09 | N19 | 175.4° | 179.8° |
| C05 | C08 | C09 | C10 | 178.1° | 180.0° |
| C05 | C08 | N19 | C17 | 179.0° | 179.7° |
| C08 | C05 | C04 | H04 | 2.9° | 0.1° |
| C08 | C05 | C06 | H06 | 1.5° | 0.0° |
| C05 | C08 | C09 | H09 | 1.9° | 0.0° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 1.7° | 0.0° |
| C08 | C09 | C10 | N15 | 179.7° | 180.0° |
| C09 | C08 | N19 | C17 | 3.6° | 0.5° |
| N19 | C08 | C09 | C10 | 2.7° | 0.2° |
| C08 | N19 | C17 | C11 | 3.2° | 0.5° |
| C08 | N19 | C17 | O18 | 177.8° | 179.8° |
| N19 | C08 | C09 | H09 | 177.3° | 179.8° |
| C09 | C10 | C11 | N15 | 178.6° | 180.0° |
| C09 | C10 | C11 | C12 | 178.3° | 180.0° |
| C09 | C10 | C11 | C17 | 1.6° | 0.0° |
| C09 | C10 | N15 | C14 | 178.6° | 180.0° |
| C09 | C10 | N15 | C16 | 1.8° | 57.4° |
| C09 | C10 | N15 | H15 | 88.4° | 57.4° |
| C10 | C11 | C12 | C17 | 179.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C11 | C10 | N15 | C14 | 0.1° | 0.0° |
| C11 | C10 | N15 | C16 | 179.6° | 122.6° |
| C10 | C11 | C17 | O18 | 178.9° | 180.0° |
| C10 | C11 | C17 | N19 | 2.3° | 0.3° |
| C11 | C10 | C09 | H09 | 178.3° | 180.0° |
| C10 | C11 | C12 | H12 | 179.8° | 179.9° |
| C11 | C10 | N15 | H15 | 90.2° | 122.6° |
| N15 | C10 | C11 | C12 | 0.3° | 0.0° |
| N15 | C10 | C11 | C17 | 179.8° | 180.0° |
| C10 | N15 | C14 | C13 | 1.0° | 0.0° |
| C10 | N15 | C14 | C16 | 179.6° | 122.6° |
| C10 | N15 | C14 | H15 | 90.2° | 122.7° |
| C10 | N15 | C16 | H15 | 90.3° | 115.1° |
| N15 | C10 | C09 | H09 | 0.3° | 0.0° |
| C10 | N15 | C14 | H14 | 179.0° | 179.9° |
| C10 | N15 | C16 | H16 | 180.0° | 59.9° |
| C10 | N15 | C16 | H16A | 60.0° | 180.0° |
| C10 | N15 | C16 | H16B | 60.0° | 60.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.2° | 0.1° |
| C12 | C11 | C17 | O18 | 1.3° | 0.1° |
| C12 | C11 | C17 | N19 | 177.6° | 179.8° |
| C11 | C12 | C13 | H13 | 178.7° | 179.9° |
| C17 | C11 | C12 | C13 | 179.6° | 180.0° |
| C11 | C17 | O18 | N19 | 178.9° | 179.7° |
| C17 | C11 | C12 | H12 | 0.4° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | N15 | 1.7° | 0.1° |
| C12 | C13 | C14 | H14 | 178.3° | 180.0° |
| C13 | C14 | N15 | H14 | 180.0° | 179.9° |
| C13 | C14 | N15 | C16 | 179.4° | 122.6° |
| C14 | C13 | C12 | H12 | 178.8° | 180.0° |
| C13 | C14 | N15 | H15 | 89.2° | 122.6° |
| C14 | N15 | C16 | H15 | 90.2° | 115.0° |
| N15 | C14 | C13 | H13 | 178.3° | 180.0° |
| C14 | N15 | C16 | H16 | 0.4° | 70.0° |
| C14 | N15 | C16 | H16A | 120.5° | 50.1° |
| C14 | N15 | C16 | H16B | 119.6° | 170.1° |
| C16 | N15 | C14 | H14 | 0.6° | 57.3° |
| N15 | C16 | H16 | H16A | 120.0° | 120.0° |
| N15 | C16 | H16 | H16B | 120.0° | 120.0° |
| N15 | C16 | H16A | H16B | 120.0° | 120.0° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H03 | C03 | C04 | H04 | 0.0° | 0.1° |
| H06 | C06 | C07 | H07 | 2.7° | 0.0° |
| H12 | C12 | C13 | H13 | 1.3° | 0.1° |
| H13 | C13 | C14 | H14 | 1.7° | 0.1° |
| H14 | C14 | N15 | H15 | 90.8° | 57.4° |
| H15 | N15 | C16 | H16 | 89.8° | 175.0° |
| H15 | N15 | C16 | H16A | 30.3° | 65.0° |
| H15 | N15 | C16 | H16B | 150.2° | 55.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
