A1EG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C12 | sing | 1.36Å | 1.46Å | |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | N02 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.48Å | |
| N02 | C04 | sing | 1.47Å | 1.48Å | |
| C10 | C09 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | C06 | sing | 1.46Å | 1.42Å | Aromatic |
| C14 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C05 | C06 | sing | 1.51Å | 1.56Å | |
| C09 | N08 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.34Å | 1.43Å | Aromatic |
| N08 | C07 | sing | 1.37Å | 1.32Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N08 | H16 | sing | 0.97Å | 1.00Å | |
| O15 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C12 | C11 | 120.0° | 119.8° |
| O15 | C12 | C13 | 119.9° | 119.9° |
| C12 | O15 | H17 | 109.5° | 113.9° |
| C11 | C12 | C13 | 120.1° | 120.3° |
| C12 | C11 | C10 | 119.9° | 119.6° |
| C12 | C11 | H13 | 120.0° | 120.2° |
| C12 | C13 | C14 | 120.2° | 120.6° |
| C12 | C13 | H1 | 119.9° | 119.7° |
| C03 | N02 | C01 | 109.9° | 111.0° |
| C03 | N02 | C04 | 110.1° | 111.0° |
| N02 | C03 | H5 | 109.5° | 109.5° |
| N02 | C03 | H6 | 109.5° | 109.5° |
| N02 | C03 | H7 | 109.5° | 109.4° |
| C11 | C10 | C09 | 119.9° | 120.0° |
| C11 | C10 | C06 | 133.9° | 133.9° |
| C10 | C11 | H13 | 120.1° | 120.2° |
| C13 | C14 | C09 | 120.1° | 120.0° |
| C14 | C13 | H1 | 119.9° | 119.7° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C01 | N02 | C04 | 113.0° | 111.0° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.4° | 109.5° |
| N02 | C04 | C05 | 113.0° | 109.5° |
| N02 | C04 | H8 | 108.6° | 109.5° |
| N02 | C04 | H9 | 108.6° | 109.5° |
| C09 | C10 | C06 | 106.2° | 106.1° |
| C10 | C09 | C14 | 119.8° | 119.5° |
| C10 | C09 | N08 | 108.3° | 107.1° |
| C10 | C06 | C05 | 125.6° | 126.5° |
| C10 | C06 | C07 | 107.6° | 107.0° |
| C14 | C09 | N08 | 131.9° | 133.4° |
| C09 | C14 | H14 | 120.0° | 119.9° |
| C04 | C05 | C06 | 112.7° | 109.5° |
| C05 | C04 | H8 | 108.6° | 109.5° |
| C05 | C04 | H9 | 108.6° | 109.4° |
| C04 | C05 | H10 | 108.7° | 109.4° |
| C04 | C05 | H11 | 108.7° | 109.5° |
| C05 | C06 | C07 | 126.8° | 126.5° |
| C06 | C05 | H10 | 108.7° | 109.5° |
| C06 | C05 | H11 | 108.7° | 109.5° |
| C09 | N08 | C07 | 110.2° | 109.9° |
| C09 | N08 | H16 | 124.9° | 125.1° |
| C06 | C07 | N08 | 107.6° | 109.9° |
| C06 | C07 | H12 | 126.2° | 125.0° |
| N08 | C07 | H12 | 126.1° | 125.0° |
| C07 | N08 | H16 | 124.9° | 125.0° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.4° | 109.5° |
| H5 | C03 | H7 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C12 | C11 | C13 | 180.0° | 180.0° |
| O15 | C12 | C11 | C10 | 180.0° | 180.0° |
| O15 | C12 | C13 | C14 | 180.0° | 179.7° |
| O15 | C12 | C13 | H1 | 0.0° | 0.3° |
| O15 | C12 | C11 | H13 | 0.0° | 0.0° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C12 | C11 | C10 | C06 | 179.8° | 179.7° |
| C11 | C12 | C13 | H1 | 180.0° | 179.7° |
| C11 | C12 | O15 | H17 | 180.0° | 90.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.4° |
| C12 | C13 | C14 | C09 | 0.0° | 0.6° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C12 | O15 | H17 | 0.0° | 90.0° |
| C03 | N02 | C01 | C04 | 123.5° | 123.9° |
| C03 | N02 | C04 | C05 | 90.3° | 66.0° |
| C03 | N02 | C01 | H2 | 180.0° | 56.1° |
| C03 | N02 | C01 | H3 | 60.0° | 176.1° |
| C03 | N02 | C01 | H4 | 60.0° | 63.9° |
| N02 | C03 | H5 | H6 | 120.0° | 120.0° |
| N02 | C03 | H5 | H7 | 120.0° | 120.0° |
| N02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C03 | N02 | C04 | H8 | 30.2° | 174.0° |
| C03 | N02 | C04 | H9 | 149.1° | 53.9° |
| C11 | C10 | C09 | C06 | 179.8° | 179.8° |
| C11 | C10 | C09 | C14 | 0.1° | 0.2° |
| C11 | C10 | C06 | C05 | 0.4° | 0.3° |
| C11 | C10 | C09 | N08 | 180.0° | 179.8° |
| C11 | C10 | C06 | C07 | 180.0° | 179.7° |
| C13 | C14 | C09 | C10 | 0.1° | 0.5° |
| C13 | C14 | C09 | H14 | 180.0° | 179.4° |
| C13 | C14 | C09 | N08 | 180.0° | 179.5° |
| C01 | N02 | C04 | C05 | 33.0° | 170.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | N02 | C03 | H5 | 180.0° | 59.9° |
| C01 | N02 | C03 | H6 | 60.0° | 180.0° |
| C01 | N02 | C03 | H7 | 60.0° | 60.1° |
| C01 | N02 | C04 | H8 | 153.6° | 50.0° |
| C01 | N02 | C04 | H9 | 87.5° | 70.0° |
| N02 | C04 | C05 | H8 | 120.5° | 120.0° |
| N02 | C04 | C05 | H9 | 120.5° | 120.0° |
| N02 | C04 | C05 | C06 | 158.8° | 180.0° |
| C04 | N02 | C01 | H2 | 56.5° | 179.9° |
| C04 | N02 | C01 | H3 | 176.5° | 60.0° |
| C04 | N02 | C01 | H4 | 63.5° | 60.0° |
| C04 | N02 | C03 | H5 | 54.9° | 64.0° |
| C04 | N02 | C03 | H6 | 65.1° | 56.1° |
| C04 | N02 | C03 | H7 | 174.9° | 176.0° |
| N02 | C04 | H8 | H9 | 118.4° | 120.0° |
| N02 | C04 | C05 | H10 | 80.7° | 60.0° |
| N02 | C04 | C05 | H11 | 38.3° | 60.0° |
| C10 | C09 | C14 | N08 | 179.9° | 180.0° |
| C09 | C10 | C06 | C05 | 179.8° | 180.0° |
| C09 | C10 | C06 | C07 | 0.2° | 0.0° |
| C10 | C09 | N08 | C07 | 0.0° | 0.0° |
| C09 | C10 | C11 | H13 | 179.9° | 180.0° |
| C10 | C09 | C14 | H14 | 180.0° | 180.0° |
| C10 | C09 | N08 | H16 | 180.0° | 180.0° |
| C06 | C10 | C09 | C14 | 179.9° | 180.0° |
| C10 | C06 | C05 | C04 | 91.9° | 85.0° |
| C10 | C06 | C05 | C07 | 179.4° | 180.0° |
| C06 | C10 | C09 | N08 | 0.1° | 0.0° |
| C10 | C06 | C07 | N08 | 0.2° | 0.0° |
| C10 | C06 | C05 | H10 | 147.6° | 35.0° |
| C10 | C06 | C05 | H11 | 28.5° | 155.0° |
| C10 | C06 | C07 | H12 | 179.8° | 180.0° |
| C06 | C10 | C11 | H13 | 0.2° | 0.3° |
| C14 | C09 | N08 | C07 | 179.9° | 180.0° |
| C09 | C14 | C13 | H1 | 180.0° | 180.0° |
| C14 | C09 | N08 | H16 | 0.0° | 0.0° |
| C04 | C05 | C06 | H10 | 120.5° | 119.9° |
| C04 | C05 | C06 | H11 | 120.5° | 120.0° |
| C04 | C05 | C06 | C07 | 88.6° | 95.0° |
| C05 | C04 | H8 | H9 | 118.4° | 120.0° |
| C04 | C05 | H10 | H11 | 118.5° | 120.0° |
| C05 | C06 | C07 | N08 | 179.7° | 180.0° |
| C06 | C05 | C04 | H8 | 38.3° | 60.0° |
| C06 | C05 | C04 | H9 | 80.7° | 60.0° |
| C06 | C05 | H10 | H11 | 118.6° | 120.1° |
| C05 | C06 | C07 | H12 | 0.3° | 0.0° |
| C09 | N08 | C07 | C06 | 0.1° | 0.0° |
| C09 | N08 | C07 | H16 | 180.0° | 180.0° |
| C09 | N08 | C07 | H12 | 179.9° | 180.0° |
| N08 | C09 | C14 | H14 | 0.1° | 0.0° |
| C06 | C07 | N08 | H12 | 180.0° | 180.0° |
| C07 | C06 | C05 | H10 | 31.8° | 145.0° |
| C07 | C06 | C05 | H11 | 150.9° | 25.0° |
| C06 | C07 | N08 | H16 | 179.9° | 180.0° |
| H1 | C13 | C14 | H14 | 0.0° | 0.6° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
| H8 | C04 | C05 | H10 | 158.8° | 60.0° |
| H8 | C04 | C05 | H11 | 82.2° | 180.0° |
| H9 | C04 | C05 | H10 | 39.8° | 180.0° |
| H9 | C04 | C05 | H11 | 158.9° | 60.0° |
| H12 | C07 | N08 | H16 | 0.1° | 0.0° |
