E7J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.21Å | 1.27Å | |
| C07 | O09 | sing | 1.35Å | 1.27Å | |
| C07 | C05 | sing | 1.48Å | 1.52Å | |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C10 | sing | 1.48Å | 1.53Å | |
| O11 | C10 | doub | 1.21Å | 1.18Å | |
| C10 | O12 | sing | 1.35Å | 1.40Å | |
| O12 | C13 | sing | 1.45Å | 1.40Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| O09 | H13 | sing | 0.97Å | 0.95Å | |
| O17 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | O09 | 121.4° | 120.0° |
| O08 | C07 | C05 | 119.4° | 120.0° |
| O09 | C07 | C05 | 119.2° | 120.0° |
| C07 | O09 | H13 | 109.5° | 117.0° |
| C07 | C05 | C04 | 119.1° | 120.0° |
| C07 | C05 | C06 | 120.3° | 120.0° |
| C05 | C04 | C03 | 119.9° | 120.0° |
| C04 | C05 | C06 | 120.6° | 120.0° |
| C05 | C04 | H7 | 120.1° | 120.0° |
| C04 | C03 | C02 | 119.8° | 120.0° |
| C04 | C03 | H6 | 120.1° | 119.9° |
| C03 | C04 | H7 | 120.1° | 120.0° |
| C05 | C06 | C01 | 119.4° | 120.0° |
| C05 | C06 | H8 | 120.3° | 120.0° |
| C03 | C02 | C01 | 120.2° | 120.0° |
| C03 | C02 | C10 | 119.3° | 120.0° |
| C02 | C03 | H6 | 120.1° | 120.0° |
| C06 | C01 | C02 | 120.2° | 120.0° |
| C06 | C01 | H5 | 119.9° | 120.0° |
| C01 | C06 | H8 | 120.3° | 120.0° |
| C01 | C02 | C10 | 120.5° | 120.0° |
| C02 | C01 | H5 | 119.9° | 120.0° |
| C02 | C10 | O11 | 119.8° | 120.1° |
| C02 | C10 | O12 | 120.5° | 120.0° |
| O11 | C10 | O12 | 119.7° | 120.0° |
| C10 | O12 | C13 | 113.3° | 117.0° |
| O12 | C13 | C14 | 107.8° | 109.5° |
| O12 | C13 | H1 | 109.9° | 109.5° |
| O12 | C13 | H2 | 109.9° | 109.4° |
| C13 | C14 | C15 | 113.0° | 109.5° |
| C14 | C13 | H1 | 109.9° | 109.5° |
| C14 | C13 | H2 | 109.9° | 109.4° |
| C13 | C14 | H9 | 108.6° | 109.4° |
| C13 | C14 | H10 | 108.6° | 109.5° |
| C14 | C15 | C16 | 111.5° | 109.5° |
| C14 | C15 | H3 | 109.0° | 109.5° |
| C14 | C15 | H4 | 109.0° | 109.4° |
| C15 | C14 | H9 | 108.5° | 109.5° |
| C15 | C14 | H10 | 108.6° | 109.5° |
| C15 | C16 | O17 | 107.8° | 109.5° |
| C16 | C15 | H3 | 109.0° | 109.5° |
| C16 | C15 | H4 | 109.0° | 109.5° |
| C15 | C16 | H11 | 109.9° | 109.5° |
| C15 | C16 | H12 | 109.9° | 109.4° |
| O17 | C16 | H11 | 109.9° | 109.5° |
| O17 | C16 | H12 | 109.9° | 109.5° |
| C16 | O17 | H14 | 109.5° | 114.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | O09 | C05 | 179.3° | 180.0° |
| O08 | C07 | C05 | C04 | 40.1° | 0.1° |
| O08 | C07 | C05 | C06 | 139.9° | 179.8° |
| O08 | C07 | O09 | H13 | 0.0° | 0.0° |
| O09 | C07 | C05 | C04 | 140.5° | 180.0° |
| O09 | C07 | C05 | C06 | 39.4° | 0.2° |
| C07 | C05 | C04 | C06 | 180.0° | 179.8° |
| C07 | C05 | C04 | C03 | 180.0° | 180.0° |
| C07 | C05 | C06 | C01 | 179.4° | 179.7° |
| C07 | C05 | C04 | H7 | 0.0° | 0.2° |
| C07 | C05 | C06 | H8 | 0.6° | 0.2° |
| C05 | C07 | O09 | H13 | 179.3° | 180.0° |
| C05 | C04 | C03 | H7 | 180.0° | 179.8° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C04 | C05 | C06 | C01 | 0.6° | 0.5° |
| C05 | C04 | C03 | H6 | 179.4° | 179.9° |
| C04 | C05 | C06 | H8 | 179.4° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.2° |
| C04 | C03 | C02 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C04 | C03 | C02 | C10 | 179.9° | 180.0° |
| C05 | C06 | C01 | H8 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.6° | 0.5° |
| C05 | C06 | C01 | H5 | 179.4° | 179.7° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.3° |
| C03 | C02 | C01 | C10 | 179.6° | 180.0° |
| C03 | C02 | C10 | O11 | 4.9° | 179.7° |
| C03 | C02 | C10 | O12 | 175.0° | 0.0° |
| C03 | C02 | C01 | H5 | 179.9° | 179.9° |
| C02 | C03 | C04 | H7 | 179.5° | 179.8° |
| C06 | C01 | C02 | H5 | 180.0° | 179.8° |
| C06 | C01 | C02 | C10 | 179.6° | 179.8° |
| C01 | C02 | C10 | O11 | 175.5° | 0.3° |
| C01 | C02 | C10 | O12 | 4.6° | 180.0° |
| C01 | C02 | C03 | H6 | 179.5° | 180.0° |
| C02 | C01 | C06 | H8 | 179.4° | 180.0° |
| C02 | C10 | O11 | O12 | 179.9° | 179.7° |
| C02 | C10 | O12 | C13 | 169.4° | 180.0° |
| C10 | C02 | C01 | H5 | 0.5° | 0.0° |
| C10 | C02 | C03 | H6 | 0.2° | 0.1° |
| O11 | C10 | O12 | C13 | 10.5° | 0.3° |
| C10 | O12 | C13 | C14 | 82.0° | 180.0° |
| C10 | O12 | C13 | H1 | 158.3° | 60.0° |
| C10 | O12 | C13 | H2 | 37.7° | 60.0° |
| O12 | C13 | C14 | H1 | 119.8° | 120.0° |
| O12 | C13 | C14 | H2 | 119.7° | 119.9° |
| O12 | C13 | C14 | C15 | 45.8° | 180.0° |
| O12 | C13 | H1 | H2 | 120.8° | 120.0° |
| O12 | C13 | C14 | H9 | 166.3° | 60.1° |
| O12 | C13 | C14 | H10 | 74.7° | 59.9° |
| C13 | C14 | C15 | H9 | 120.5° | 120.0° |
| C13 | C14 | C15 | H10 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 153.3° | 180.0° |
| C14 | C13 | H1 | H2 | 120.7° | 120.0° |
| C13 | C14 | C15 | H3 | 33.0° | 60.0° |
| C13 | C14 | C15 | H4 | 86.4° | 60.0° |
| C13 | C14 | H9 | H10 | 118.4° | 120.0° |
| C14 | C15 | C16 | H3 | 120.3° | 120.0° |
| C14 | C15 | C16 | H4 | 120.3° | 120.0° |
| C14 | C15 | C16 | O17 | 9.5° | 180.0° |
| C15 | C14 | C13 | H1 | 74.0° | 60.0° |
| C15 | C14 | C13 | H2 | 165.5° | 60.0° |
| C14 | C15 | H3 | H4 | 119.1° | 120.0° |
| C15 | C14 | H9 | H10 | 118.4° | 120.0° |
| C14 | C15 | C16 | H11 | 110.2° | 60.0° |
| C14 | C15 | C16 | H12 | 129.3° | 60.0° |
| C15 | C16 | O17 | H11 | 119.8° | 120.0° |
| C15 | C16 | O17 | H12 | 119.7° | 120.0° |
| C16 | C15 | H3 | H4 | 119.1° | 120.0° |
| C16 | C15 | C14 | H9 | 86.2° | 60.0° |
| C16 | C15 | C14 | H10 | 32.8° | 60.0° |
| C15 | C16 | H11 | H12 | 120.8° | 120.0° |
| C15 | C16 | O17 | H14 | 180.0° | 180.0° |
| O17 | C16 | C15 | H3 | 129.8° | 60.0° |
| O17 | C16 | C15 | H4 | 110.7° | 60.0° |
| O17 | C16 | H11 | H12 | 120.7° | 120.0° |
| H1 | C13 | C14 | H9 | 46.5° | 60.0° |
| H1 | C13 | C14 | H10 | 165.5° | 180.0° |
| H2 | C13 | C14 | H9 | 74.0° | 180.0° |
| H2 | C13 | C14 | H10 | 45.0° | 60.0° |
| H3 | C15 | C14 | H9 | 153.5° | 180.0° |
| H3 | C15 | C14 | H10 | 87.5° | 60.0° |
| H3 | C15 | C16 | H11 | 10.1° | 180.0° |
| H3 | C15 | C16 | H12 | 110.4° | 60.0° |
| H4 | C15 | C14 | H9 | 34.1° | 60.0° |
| H4 | C15 | C14 | H10 | 153.1° | 180.0° |
| H4 | C15 | C16 | H11 | 129.5° | 60.0° |
| H4 | C15 | C16 | H12 | 9.0° | 180.0° |
| H5 | C01 | C06 | H8 | 0.7° | 0.2° |
| H6 | C03 | C04 | H7 | 0.5° | 0.2° |
| H11 | C16 | O17 | H14 | 60.3° | 60.0° |
| H12 | C16 | O17 | H14 | 60.3° | 60.0° |
