A1EU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N04 | C12 | doub | 1.30Å | 1.27Å | Aromatic |
| N04 | N05 | sing | 1.40Å | 1.30Å | Aromatic |
| C12 | C08 | sing | 1.46Å | 1.45Å | Aromatic |
| C13 | N05 | sing | 1.46Å | 1.46Å | |
| N05 | C09 | sing | 1.37Å | 1.43Å | Aromatic |
| C08 | C09 | doub | 1.41Å | 1.46Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.36Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C06 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C06 | N03 | sing | 1.40Å | 1.48Å | |
| C14 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C02 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| N03 | C05 | sing | 1.46Å | 1.47Å | |
| N03 | C04 | sing | 1.38Å | 1.47Å | |
| C02 | C04 | sing | 1.42Å | 1.40Å | Aromatic |
| C02 | C01 | doub | 1.42Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C04 | N02 | doub | 1.33Å | 1.32Å | Aromatic |
| C01 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | N01 | sing | 1.34Å | 1.32Å | Aromatic |
| N02 | C03 | sing | 1.33Å | 1.32Å | Aromatic |
| C03 | N01 | doub | 1.31Å | 1.33Å | Aromatic |
| C03 | CL01 | sing | 1.74Å | 1.78Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N04 | N05 | 97.6° | 110.1° |
| N04 | C12 | C08 | 121.3° | 107.8° |
| N04 | C12 | H3 | 119.3° | 126.1° |
| N04 | N05 | C13 | 118.7° | 125.5° |
| N04 | N05 | C09 | 122.2° | 109.1° |
| C12 | C08 | C09 | 100.1° | 106.4° |
| C12 | C08 | C07 | 141.8° | 133.9° |
| C08 | C12 | H3 | 119.3° | 126.1° |
| C13 | N05 | C09 | 119.1° | 125.5° |
| N05 | C13 | H4 | 109.5° | 109.5° |
| N05 | C13 | H5 | 109.4° | 109.5° |
| N05 | C13 | H6 | 109.5° | 109.5° |
| N05 | C09 | C08 | 98.8° | 106.7° |
| N05 | C09 | C10 | 138.6° | 133.7° |
| C09 | C08 | C07 | 118.1° | 119.7° |
| C08 | C09 | C10 | 122.6° | 119.7° |
| C08 | C07 | C06 | 119.2° | 119.4° |
| C08 | C07 | H13 | 120.4° | 120.2° |
| C09 | C10 | C11 | 119.4° | 120.1° |
| C09 | C10 | H1 | 120.3° | 119.9° |
| C07 | C06 | C11 | 120.9° | 120.4° |
| C07 | C06 | N03 | 118.6° | 119.9° |
| C06 | C07 | H13 | 120.4° | 120.3° |
| C10 | C11 | C06 | 119.9° | 120.7° |
| C11 | C10 | H1 | 120.3° | 120.0° |
| C10 | C11 | H2 | 120.1° | 119.6° |
| C11 | C06 | N03 | 120.6° | 119.8° |
| C06 | C11 | H2 | 120.1° | 119.6° |
| C06 | N03 | C05 | 118.0° | 120.0° |
| C06 | N03 | C04 | 120.2° | 120.0° |
| C15 | C14 | C02 | 120.6° | 119.5° |
| C14 | C15 | C16 | 119.9° | 120.9° |
| C15 | C14 | H7 | 119.7° | 120.2° |
| C14 | C15 | H8 | 120.1° | 119.6° |
| C14 | C02 | C04 | 124.6° | 122.1° |
| C14 | C02 | C01 | 120.7° | 119.7° |
| C02 | C14 | H7 | 119.7° | 120.3° |
| C15 | C16 | C17 | 119.7° | 121.0° |
| C16 | C15 | H8 | 120.0° | 119.5° |
| C15 | C16 | H9 | 120.1° | 119.5° |
| C05 | N03 | C04 | 116.0° | 120.0° |
| N03 | C05 | H10 | 109.5° | 109.5° |
| N03 | C05 | H11 | 109.5° | 109.5° |
| N03 | C05 | H12 | 109.4° | 109.4° |
| N03 | C04 | C02 | 123.4° | 120.9° |
| N03 | C04 | N02 | 113.8° | 120.9° |
| C04 | C02 | C01 | 114.7° | 118.2° |
| C02 | C04 | N02 | 122.8° | 118.2° |
| C02 | C01 | C17 | 118.7° | 119.3° |
| C02 | C01 | N01 | 123.4° | 118.7° |
| C16 | C17 | C01 | 120.3° | 119.6° |
| C17 | C16 | H9 | 120.2° | 119.5° |
| C16 | C17 | H14 | 119.8° | 120.2° |
| C04 | N02 | C03 | 116.0° | 121.5° |
| C17 | C01 | N01 | 117.9° | 122.0° |
| C01 | C17 | H14 | 119.8° | 120.2° |
| C01 | N01 | C03 | 115.7° | 120.5° |
| N02 | C03 | N01 | 127.4° | 122.9° |
| N02 | C03 | CL01 | 114.1° | 118.5° |
| N01 | C03 | CL01 | 118.6° | 118.6° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.4° | 109.5° |
| H10 | C05 | H12 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C12 | C08 | H3 | 180.0° | 180.0° |
| C12 | N04 | N05 | C13 | 179.5° | 180.0° |
| C12 | N04 | N05 | C09 | 0.4° | 0.0° |
| N04 | C12 | C08 | C09 | 0.1° | 0.0° |
| N04 | C12 | C08 | C07 | 179.4° | 179.3° |
| N05 | N04 | C12 | C08 | 0.2° | 0.0° |
| N04 | N05 | C13 | C09 | 179.1° | 180.0° |
| N04 | N05 | C09 | C08 | 0.5° | 0.0° |
| N04 | N05 | C09 | C10 | 179.5° | 179.9° |
| N05 | N04 | C12 | H3 | 179.9° | 180.0° |
| N04 | N05 | C13 | H4 | 0.0° | 90.0° |
| N04 | N05 | C13 | H5 | 120.0° | 150.0° |
| N04 | N05 | C13 | H6 | 120.0° | 30.0° |
| C12 | C08 | C09 | N05 | 0.3° | 0.0° |
| C12 | C08 | C09 | C07 | 179.7° | 179.5° |
| C12 | C08 | C09 | C10 | 179.7° | 180.0° |
| C12 | C08 | C07 | C06 | 179.9° | 179.5° |
| C12 | C08 | C07 | H13 | 0.1° | 0.6° |
| C13 | N05 | C09 | C08 | 179.6° | 180.0° |
| C13 | N05 | C09 | C10 | 0.4° | 0.0° |
| N05 | C13 | H4 | H5 | 120.0° | 120.0° |
| N05 | C13 | H4 | H6 | 120.0° | 120.0° |
| N05 | C13 | H5 | H6 | 120.0° | 120.0° |
| N05 | C09 | C08 | C10 | 180.0° | 179.9° |
| N05 | C09 | C08 | C07 | 179.4° | 179.4° |
| N05 | C09 | C10 | C11 | 179.8° | 179.4° |
| N05 | C09 | C10 | H1 | 0.3° | 0.4° |
| C09 | N05 | C13 | H4 | 179.1° | 90.0° |
| C09 | N05 | C13 | H5 | 59.1° | 30.0° |
| C09 | N05 | C13 | H6 | 60.9° | 150.0° |
| C09 | C08 | C07 | C06 | 0.6° | 0.3° |
| C08 | C09 | C10 | C11 | 0.3° | 0.5° |
| C08 | C09 | C10 | H1 | 179.7° | 179.7° |
| C09 | C08 | C12 | H3 | 179.9° | 180.0° |
| C09 | C08 | C07 | H13 | 179.4° | 179.8° |
| C07 | C08 | C09 | C10 | 0.7° | 0.5° |
| C08 | C07 | C06 | H13 | 180.0° | 179.9° |
| C08 | C07 | C06 | C11 | 0.3° | 0.0° |
| C08 | C07 | C06 | N03 | 179.3° | 180.0° |
| C07 | C08 | C12 | H3 | 0.6° | 0.7° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C06 | 0.0° | 0.2° |
| C09 | C10 | C11 | H2 | 180.0° | 179.7° |
| C07 | C06 | C11 | C10 | 0.1° | 0.0° |
| C07 | C06 | C11 | N03 | 179.5° | 180.0° |
| C07 | C06 | N03 | C05 | 65.8° | 5.4° |
| C07 | C06 | N03 | C04 | 142.0° | 174.6° |
| C07 | C06 | C11 | H2 | 179.9° | 180.0° |
| C10 | C11 | C06 | H2 | 180.0° | 179.9° |
| C10 | C11 | C06 | N03 | 179.6° | 179.9° |
| C11 | C06 | N03 | C05 | 114.6° | 174.6° |
| C11 | C06 | N03 | C04 | 37.5° | 5.4° |
| C06 | C11 | C10 | H1 | 180.0° | 180.0° |
| C11 | C06 | C07 | H13 | 179.7° | 179.9° |
| C06 | N03 | C05 | C04 | 153.3° | 180.0° |
| C06 | N03 | C04 | C02 | 40.0° | 94.3° |
| C06 | N03 | C04 | N02 | 140.5° | 85.7° |
| N03 | C06 | C11 | H2 | 0.4° | 0.0° |
| C06 | N03 | C05 | H10 | 180.0° | 85.3° |
| C06 | N03 | C05 | H11 | 60.0° | 154.6° |
| C06 | N03 | C05 | H12 | 60.0° | 34.6° |
| N03 | C06 | C07 | H13 | 0.8° | 0.1° |
| C15 | C14 | C02 | H7 | 180.0° | 179.7° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C15 | C14 | C02 | C04 | 179.6° | 179.9° |
| C15 | C14 | C02 | C01 | 0.6° | 0.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.1° |
| C14 | C15 | C16 | H9 | 179.5° | 180.0° |
| C02 | C14 | C15 | C16 | 0.9° | 0.0° |
| C14 | C02 | C04 | N03 | 0.5° | 0.1° |
| C14 | C02 | C04 | C01 | 179.8° | 180.0° |
| C14 | C02 | C04 | N02 | 178.9° | 180.0° |
| C14 | C02 | C01 | C17 | 0.1° | 0.1° |
| C14 | C02 | C01 | N01 | 179.5° | 179.9° |
| C02 | C14 | C15 | H8 | 179.0° | 180.0° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C15 | C16 | C17 | C01 | 0.2° | 0.1° |
| C16 | C15 | C14 | H7 | 179.0° | 179.7° |
| C15 | C16 | C17 | H14 | 179.8° | 180.0° |
| C05 | N03 | C04 | C02 | 167.3° | 85.7° |
| C05 | N03 | C04 | N02 | 12.2° | 94.2° |
| N03 | C05 | H10 | H11 | 120.0° | 120.1° |
| N03 | C05 | H10 | H12 | 120.0° | 120.0° |
| N03 | C05 | H11 | H12 | 120.0° | 119.9° |
| N03 | C04 | C02 | N02 | 179.4° | 180.0° |
| N03 | C04 | C02 | C01 | 179.7° | 180.0° |
| N03 | C04 | N02 | C03 | 179.7° | 180.0° |
| C04 | N03 | C05 | H10 | 26.7° | 94.6° |
| C04 | N03 | C05 | H11 | 146.7° | 25.5° |
| C04 | N03 | C05 | H12 | 93.3° | 145.4° |
| C04 | C02 | C01 | C17 | 179.7° | 179.9° |
| C04 | C02 | C01 | N01 | 0.4° | 0.0° |
| C02 | C04 | N02 | C03 | 0.9° | 0.0° |
| C04 | C02 | C14 | H7 | 0.4° | 0.3° |
| C02 | C01 | C17 | C16 | 0.5° | 0.1° |
| C01 | C02 | C04 | N02 | 0.9° | 0.0° |
| C02 | C01 | C17 | N01 | 179.4° | 179.9° |
| C02 | C01 | N01 | C03 | 0.2° | 0.0° |
| C01 | C02 | C14 | H7 | 179.3° | 179.7° |
| C02 | C01 | C17 | H14 | 179.6° | 180.0° |
| C16 | C17 | C01 | H14 | 180.0° | 179.9° |
| C16 | C17 | C01 | N01 | 179.9° | 180.0° |
| C17 | C16 | C15 | H8 | 179.5° | 179.9° |
| C04 | N02 | C03 | N01 | 0.3° | 0.0° |
| C04 | N02 | C03 | CL01 | 179.9° | 180.0° |
| C17 | C01 | N01 | C03 | 179.2° | 179.9° |
| C01 | C17 | C16 | H9 | 179.8° | 179.9° |
| C01 | N01 | C03 | N02 | 0.2° | 0.1° |
| C01 | N01 | C03 | CL01 | 179.4° | 180.0° |
| N01 | C01 | C17 | H14 | 0.1° | 0.1° |
| N02 | C03 | N01 | CL01 | 179.6° | 179.9° |
| H1 | C10 | C11 | H2 | 0.0° | 0.1° |
| H4 | C13 | H5 | H6 | 120.0° | 120.0° |
| H7 | C14 | C15 | H8 | 1.0° | 0.3° |
| H8 | C15 | C16 | H9 | 0.5° | 0.0° |
| H9 | C16 | C17 | H14 | 0.2° | 0.0° |
| H10 | C05 | H11 | H12 | 120.0° | 120.0° |
