7G3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.36Å | 1.42Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C05 | sing | 1.39Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.50Å | |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.52Å | |
| C08 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | N10 | doub | 1.29Å | 1.28Å | |
| C14 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.42Å | |
| N10 | O11 | sing | 1.42Å | 1.39Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| O11 | H6 | sing | 0.97Å | 0.95Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.2° | 119.9° |
| O01 | C02 | C17 | 120.0° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C03 | C02 | C17 | 119.9° | 120.2° |
| C02 | C03 | C04 | 120.1° | 120.0° |
| C02 | C03 | H2 | 119.9° | 120.0° |
| C02 | C17 | C16 | 119.7° | 120.1° |
| C02 | C17 | H11 | 120.1° | 119.9° |
| C03 | C04 | C05 | 119.9° | 119.9° |
| C04 | C03 | H2 | 119.9° | 120.0° |
| C03 | C04 | H3 | 120.1° | 120.0° |
| C17 | C16 | C05 | 120.3° | 119.9° |
| C17 | C16 | H10 | 119.9° | 120.0° |
| C16 | C17 | H11 | 120.1° | 120.0° |
| C04 | C05 | C16 | 120.1° | 119.9° |
| C04 | C05 | C06 | 120.8° | 120.0° |
| C05 | C04 | H3 | 120.1° | 120.1° |
| C16 | C05 | C06 | 119.1° | 120.1° |
| C05 | C16 | H10 | 119.8° | 120.0° |
| C05 | C06 | C07 | 120.7° | 119.9° |
| C05 | C06 | C15 | 119.3° | 120.0° |
| C07 | C06 | C15 | 120.0° | 120.0° |
| C06 | C07 | C08 | 120.0° | 119.7° |
| C06 | C07 | H4 | 120.0° | 120.1° |
| C06 | C15 | C14 | 120.0° | 120.3° |
| C06 | C15 | H9 | 120.0° | 119.9° |
| C07 | C08 | C09 | 119.8° | 120.1° |
| C07 | C08 | C12 | 120.0° | 119.7° |
| C08 | C07 | H4 | 120.0° | 120.2° |
| C15 | C14 | C12 | 119.9° | 120.2° |
| C15 | C14 | H8 | 120.1° | 119.9° |
| C14 | C15 | H9 | 120.0° | 119.9° |
| C09 | C08 | C12 | 120.2° | 120.2° |
| C08 | C09 | N10 | 122.3° | 120.0° |
| C08 | C09 | H5 | 118.9° | 119.9° |
| C08 | C12 | C14 | 120.2° | 120.0° |
| C08 | C12 | O13 | 119.9° | 120.0° |
| C09 | N10 | O11 | 121.5° | 120.0° |
| N10 | C09 | H5 | 118.9° | 120.0° |
| C14 | C12 | O13 | 119.9° | 120.0° |
| C12 | C14 | H8 | 120.1° | 119.9° |
| C12 | O13 | H7 | 109.5° | 114.0° |
| N10 | O11 | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C17 | 179.8° | 179.8° |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C17 | C16 | 180.0° | 179.8° |
| O01 | C02 | C03 | H2 | 0.1° | 0.0° |
| O01 | C02 | C17 | H11 | 0.0° | 0.1° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C03 | C02 | C17 | C16 | 0.1° | 0.4° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | O01 | H1 | 180.0° | 90.0° |
| C02 | C03 | C04 | H3 | 179.8° | 180.0° |
| C03 | C02 | C17 | H11 | 179.8° | 179.8° |
| C17 | C02 | C03 | C04 | 0.1° | 0.2° |
| C02 | C17 | C16 | H11 | 180.0° | 179.8° |
| C02 | C17 | C16 | C05 | 0.2° | 0.4° |
| C17 | C02 | O01 | H1 | 0.2° | 90.2° |
| C17 | C02 | C03 | H2 | 179.9° | 179.8° |
| C02 | C17 | C16 | H10 | 179.8° | 179.8° |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C16 | 0.5° | 0.0° |
| C03 | C04 | C05 | C06 | 179.5° | 180.0° |
| C17 | C16 | C05 | C04 | 0.5° | 0.2° |
| C17 | C16 | C05 | H10 | 180.0° | 179.8° |
| C17 | C16 | C05 | C06 | 179.5° | 179.7° |
| C04 | C05 | C16 | C06 | 179.0° | 179.9° |
| C04 | C05 | C06 | C07 | 5.9° | 180.0° |
| C04 | C05 | C06 | C15 | 173.4° | 0.3° |
| C05 | C04 | C03 | H2 | 179.8° | 180.0° |
| C04 | C05 | C16 | H10 | 179.5° | 180.0° |
| C16 | C05 | C06 | C07 | 175.1° | 0.1° |
| C16 | C05 | C06 | C15 | 5.6° | 179.7° |
| C16 | C05 | C04 | H3 | 179.5° | 180.0° |
| C05 | C16 | C17 | H11 | 179.9° | 179.8° |
| C05 | C06 | C07 | C15 | 179.3° | 179.7° |
| C05 | C06 | C07 | C08 | 179.6° | 179.9° |
| C05 | C06 | C15 | C14 | 179.6° | 179.8° |
| C06 | C05 | C04 | H3 | 0.5° | 0.1° |
| C05 | C06 | C07 | H4 | 0.4° | 0.1° |
| C05 | C06 | C15 | H9 | 0.4° | 0.0° |
| C06 | C05 | C16 | H10 | 0.5° | 0.1° |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C07 | C06 | C15 | C14 | 0.3° | 0.6° |
| C06 | C07 | C08 | C09 | 180.0° | 180.0° |
| C06 | C07 | C08 | C12 | 0.4° | 0.0° |
| C07 | C06 | C15 | H9 | 179.6° | 179.7° |
| C15 | C06 | C07 | C08 | 0.4° | 0.3° |
| C06 | C15 | C14 | H9 | 180.0° | 179.8° |
| C06 | C15 | C14 | C12 | 0.3° | 0.6° |
| C15 | C06 | C07 | H4 | 179.6° | 179.7° |
| C06 | C15 | C14 | H8 | 179.7° | 179.8° |
| C07 | C08 | C09 | C12 | 179.6° | 180.0° |
| C07 | C08 | C09 | N10 | 130.8° | 17.6° |
| C07 | C08 | C12 | C14 | 0.3° | 0.0° |
| C07 | C08 | C12 | O13 | 179.9° | 180.0° |
| C07 | C08 | C09 | H5 | 49.2° | 162.3° |
| C15 | C14 | C12 | C08 | 0.3° | 0.3° |
| C15 | C14 | C12 | H8 | 180.0° | 179.7° |
| C15 | C14 | C12 | O13 | 179.9° | 179.7° |
| C08 | C09 | N10 | H5 | 180.0° | 180.0° |
| C09 | C08 | C12 | C14 | 179.9° | 180.0° |
| C09 | C08 | C12 | O13 | 0.5° | 0.0° |
| C08 | C09 | N10 | O11 | 0.1° | 7.8° |
| C09 | C08 | C07 | H4 | 0.1° | 0.0° |
| C12 | C08 | C09 | N10 | 49.6° | 162.3° |
| C08 | C12 | C14 | O13 | 179.6° | 180.0° |
| C12 | C08 | C07 | H4 | 179.6° | 180.0° |
| C12 | C08 | C09 | H5 | 130.4° | 17.7° |
| C08 | C12 | O13 | H7 | 180.0° | 95.1° |
| C08 | C12 | C14 | H8 | 179.7° | 180.0° |
| C09 | N10 | O11 | H6 | 180.0° | 180.0° |
| C14 | C12 | O13 | H7 | 0.4° | 84.8° |
| C12 | C14 | C15 | H9 | 179.7° | 179.7° |
| O13 | C12 | C14 | H8 | 0.1° | 0.0° |
| O11 | N10 | C09 | H5 | 179.9° | 172.3° |
| H2 | C03 | C04 | H3 | 0.2° | 0.0° |
| H8 | C14 | C15 | H9 | 0.3° | 0.0° |
| H10 | C16 | C17 | H11 | 0.1° | 0.0° |
