A1EG0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | sing | 1.43Å | 1.38Å | |
| O04 | C05 | sing | 1.36Å | 1.40Å | |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | B02 | sing | 1.58Å | 1.58Å | |
| C05 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| B02 | O01 | sing | 1.42Å | 1.36Å | |
| B02 | O20 | sing | 1.43Å | 1.34Å | |
| C19 | O20 | sing | 1.36Å | 1.44Å | |
| C19 | C15 | doub | 1.41Å | 1.39Å | Aromatic |
| C08 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.47Å | 1.54Å | |
| C09 | N10 | sing | 1.47Å | 1.48Å | |
| C11 | N10 | sing | 1.35Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.42Å | Aromatic |
| N10 | N14 | sing | 1.40Å | 1.36Å | Aromatic |
| C16 | O18 | doub | 1.22Å | 1.25Å | |
| C16 | O17 | sing | 1.35Å | 1.25Å | |
| N14 | C13 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| O17 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | O04 | C05 | 116.0° | 117.6° |
| O04 | C03 | B02 | 114.7° | 106.5° |
| O04 | C03 | H3 | 108.2° | 110.0° |
| O04 | C03 | H4 | 108.1° | 110.1° |
| O04 | C05 | C06 | 117.7° | 117.4° |
| O04 | C05 | C19 | 121.2° | 123.0° |
| C05 | C06 | C07 | 119.0° | 120.8° |
| C06 | C05 | C19 | 121.1° | 119.6° |
| C05 | C06 | H5 | 120.5° | 119.6° |
| C06 | C07 | C08 | 120.0° | 120.2° |
| C07 | C06 | H5 | 120.5° | 119.6° |
| C06 | C07 | H6 | 120.0° | 119.9° |
| C03 | B02 | O01 | 126.0° | 122.0° |
| C03 | B02 | O20 | 113.9° | 116.1° |
| B02 | C03 | H3 | 108.2° | 110.1° |
| B02 | C03 | H4 | 108.2° | 110.1° |
| C05 | C19 | O20 | 121.9° | 122.8° |
| C05 | C19 | C15 | 119.3° | 119.5° |
| C07 | C08 | C15 | 121.3° | 119.8° |
| C07 | C08 | C09 | 117.0° | 120.1° |
| C08 | C07 | H6 | 120.0° | 119.9° |
| O01 | B02 | O20 | 113.0° | 121.9° |
| B02 | O01 | H2 | 109.5° | 114.0° |
| B02 | O20 | C19 | 114.6° | 113.6° |
| O20 | C19 | C15 | 118.8° | 117.7° |
| C19 | C15 | C08 | 119.2° | 120.1° |
| C19 | C15 | C16 | 121.4° | 120.0° |
| C15 | C08 | C09 | 121.6° | 120.1° |
| C08 | C15 | C16 | 119.2° | 120.0° |
| C08 | C09 | N10 | 114.5° | 109.5° |
| C08 | C09 | H7 | 108.2° | 109.5° |
| C08 | C09 | H8 | 108.2° | 109.5° |
| C15 | C16 | O18 | 118.1° | 120.0° |
| C15 | C16 | O17 | 123.4° | 120.0° |
| C09 | N10 | C11 | 126.5° | 126.0° |
| C09 | N10 | N14 | 123.9° | 126.0° |
| N10 | C09 | H7 | 108.2° | 109.4° |
| N10 | C09 | H8 | 108.2° | 109.4° |
| N10 | C11 | C12 | 108.0° | 107.8° |
| C11 | N10 | N14 | 109.5° | 108.0° |
| N10 | C11 | H9 | 126.0° | 126.2° |
| C11 | C12 | C13 | 104.1° | 107.9° |
| C12 | C11 | H9 | 126.0° | 126.1° |
| C11 | C12 | H10 | 127.9° | 126.1° |
| N10 | N14 | C13 | 109.5° | 108.2° |
| O18 | C16 | O17 | 118.5° | 120.0° |
| C16 | O17 | H11 | 109.5° | 117.1° |
| N14 | C13 | C12 | 108.8° | 108.2° |
| N14 | C13 | H1 | 125.6° | 125.9° |
| C12 | C13 | H1 | 125.6° | 125.9° |
| C13 | C12 | H10 | 127.9° | 126.0° |
| H3 | C03 | H4 | 109.5° | 110.0° |
| H7 | C09 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | O04 | C05 | C06 | 169.3° | 161.5° |
| O04 | C03 | B02 | H3 | 120.8° | 119.3° |
| O04 | C03 | B02 | H4 | 120.7° | 119.4° |
| C03 | O04 | C05 | C19 | 9.9° | 18.6° |
| O04 | C03 | B02 | O01 | 97.6° | 128.0° |
| O04 | C03 | B02 | O20 | 50.4° | 52.0° |
| O04 | C03 | H3 | H4 | 117.6° | 121.5° |
| O04 | C05 | C06 | C19 | 179.2° | 179.9° |
| O04 | C05 | C06 | C07 | 179.6° | 179.2° |
| C05 | O04 | C03 | B02 | 33.1° | 40.3° |
| O04 | C05 | C19 | O20 | 0.5° | 1.2° |
| O04 | C05 | C19 | C15 | 177.7° | 179.3° |
| C05 | O04 | C03 | H3 | 153.9° | 79.0° |
| C05 | O04 | C03 | H4 | 87.6° | 159.6° |
| O04 | C05 | C06 | H5 | 0.3° | 0.5° |
| C05 | C06 | C07 | H5 | 180.0° | 179.8° |
| C05 | C06 | C07 | C08 | 0.9° | 0.2° |
| C06 | C05 | C19 | O20 | 179.7° | 178.9° |
| C06 | C05 | C19 | C15 | 1.4° | 0.7° |
| C05 | C06 | C07 | H6 | 179.1° | 180.0° |
| C07 | C06 | C05 | C19 | 0.4° | 0.7° |
| C06 | C07 | C08 | H6 | 180.0° | 179.8° |
| C06 | C07 | C08 | C15 | 0.5° | 0.2° |
| C06 | C07 | C08 | C09 | 179.7° | 179.7° |
| C03 | B02 | O01 | O20 | 148.3° | 180.0° |
| C03 | B02 | O20 | C19 | 39.2° | 38.1° |
| C03 | B02 | O01 | H2 | 148.3° | 180.0° |
| B02 | C03 | H3 | H4 | 117.6° | 121.4° |
| C05 | C19 | O20 | B02 | 16.4° | 12.1° |
| C05 | C19 | O20 | C15 | 178.3° | 179.6° |
| C05 | C19 | C15 | C08 | 2.8° | 0.2° |
| C05 | C19 | C15 | C16 | 177.9° | 179.5° |
| C19 | C05 | C06 | H5 | 179.5° | 179.5° |
| C07 | C08 | C15 | C19 | 2.4° | 0.3° |
| C07 | C08 | C15 | C09 | 179.2° | 179.9° |
| C07 | C08 | C15 | C16 | 177.6° | 179.9° |
| C07 | C08 | C09 | N10 | 132.9° | 95.0° |
| C08 | C07 | C06 | H5 | 179.1° | 180.0° |
| C07 | C08 | C09 | H7 | 12.2° | 25.0° |
| C07 | C08 | C09 | H8 | 106.4° | 145.0° |
| O01 | B02 | O20 | C19 | 113.0° | 141.8° |
| O01 | B02 | C03 | H3 | 23.2° | 112.8° |
| O01 | B02 | C03 | H4 | 141.6° | 8.6° |
| B02 | O20 | C19 | C15 | 165.3° | 168.3° |
| O20 | B02 | O01 | H2 | 0.0° | 0.0° |
| O20 | B02 | C03 | H3 | 171.2° | 67.3° |
| O20 | B02 | C03 | H4 | 70.3° | 171.3° |
| O20 | C19 | C15 | C08 | 178.9° | 179.4° |
| O20 | C19 | C15 | C16 | 3.8° | 0.9° |
| C19 | C15 | C08 | C16 | 175.2° | 179.7° |
| C19 | C15 | C08 | C09 | 178.4° | 179.7° |
| C19 | C15 | C16 | O18 | 121.9° | 89.6° |
| C19 | C15 | C16 | O17 | 61.0° | 90.3° |
| C15 | C08 | C09 | N10 | 46.3° | 85.0° |
| C08 | C15 | C16 | O18 | 53.2° | 90.1° |
| C08 | C15 | C16 | O17 | 123.9° | 90.1° |
| C15 | C08 | C07 | H6 | 179.5° | 179.5° |
| C15 | C08 | C09 | H7 | 167.0° | 155.0° |
| C15 | C08 | C09 | H8 | 74.4° | 34.9° |
| C09 | C08 | C15 | C16 | 3.2° | 0.0° |
| C08 | C09 | N10 | H7 | 120.7° | 120.1° |
| C08 | C09 | N10 | H8 | 120.7° | 120.0° |
| C08 | C09 | N10 | C11 | 39.0° | 124.8° |
| C08 | C09 | N10 | N14 | 140.3° | 55.0° |
| C09 | C08 | C07 | H6 | 0.3° | 0.6° |
| C08 | C09 | H7 | H8 | 117.7° | 120.1° |
| C15 | C16 | O18 | O17 | 177.3° | 179.9° |
| C15 | C16 | O17 | H11 | 177.2° | 180.0° |
| C09 | N10 | C11 | N14 | 179.4° | 179.8° |
| C09 | N10 | C11 | C12 | 179.6° | 179.8° |
| C09 | N10 | N14 | C13 | 179.7° | 179.9° |
| N10 | C09 | H7 | H8 | 117.7° | 119.9° |
| C09 | N10 | C11 | H9 | 0.4° | 0.0° |
| N10 | C11 | C12 | H9 | 180.0° | 179.8° |
| C11 | N10 | N14 | C13 | 0.9° | 0.1° |
| N10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | N10 | C09 | H7 | 81.7° | 4.8° |
| C11 | N10 | C09 | H8 | 159.8° | 115.2° |
| N10 | C11 | C12 | H10 | 179.5° | 179.9° |
| C12 | C11 | N10 | N14 | 0.2° | 0.0° |
| C11 | C12 | C13 | N14 | 1.1° | 0.2° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H1 | 178.9° | 180.0° |
| N10 | N14 | C13 | C12 | 1.2° | 0.2° |
| N10 | N14 | C13 | H1 | 178.8° | 180.0° |
| N14 | N10 | C09 | H7 | 99.0° | 175.0° |
| N14 | N10 | C09 | H8 | 19.6° | 65.0° |
| N14 | N10 | C11 | H9 | 179.8° | 179.8° |
| O18 | C16 | O17 | H11 | 0.0° | 0.1° |
| N14 | C13 | C12 | H1 | 180.0° | 179.8° |
| N14 | C13 | C12 | H10 | 178.9° | 179.8° |
| C13 | C12 | C11 | H9 | 179.5° | 180.0° |
| H1 | C13 | C12 | H10 | 1.1° | 0.0° |
| H5 | C06 | C07 | H6 | 0.9° | 0.3° |
| H9 | C11 | C12 | H10 | 0.5° | 0.1° |
