5EQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.34Å | 1.21Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.49Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.16Å | |
| C14 | N13 | sing | 1.37Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.53Å | Aromatic |
| C17 | C09 | sing | 1.39Å | 1.33Å | Aromatic |
| C16 | C12 | sing | 1.41Å | 1.19Å | Aromatic |
| O05 | C04 | sing | 1.35Å | 1.29Å | |
| C07 | C09 | sing | 1.48Å | 1.55Å | |
| C07 | C06 | sing | 1.47Å | 1.14Å | |
| C09 | C10 | doub | 1.40Å | 1.22Å | Aromatic |
| N13 | C12 | sing | 1.37Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C06 | doub | 1.35Å | 1.56Å | |
| C04 | C02 | sing | 1.48Å | 1.65Å | |
| C10 | C11 | sing | 1.36Å | 1.45Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C02 | O03 | sing | 1.35Å | 1.22Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| O03 | H4 | sing | 0.97Å | 0.95Å | |
| O05 | H6 | sing | 0.97Å | 0.95Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 107.8° | 106.9° |
| C15 | C14 | N13 | 109.0° | 109.9° |
| C14 | C15 | H2 | 126.1° | 126.5° |
| C15 | C14 | H11 | 125.5° | 125.0° |
| C15 | C16 | C17 | 133.0° | 134.0° |
| C15 | C16 | C12 | 107.5° | 106.1° |
| C16 | C15 | H2 | 126.1° | 126.5° |
| O08 | C07 | C09 | 115.3° | 120.0° |
| O08 | C07 | C06 | 122.8° | 120.0° |
| C14 | N13 | C12 | 108.4° | 110.0° |
| C14 | N13 | H10 | 125.8° | 125.0° |
| N13 | C14 | H11 | 125.5° | 125.0° |
| C16 | C17 | C09 | 119.0° | 119.4° |
| C17 | C16 | C12 | 119.6° | 120.0° |
| C16 | C17 | H3 | 120.5° | 120.3° |
| C17 | C09 | C07 | 120.0° | 120.0° |
| C17 | C09 | C10 | 119.7° | 120.0° |
| C09 | C17 | H3 | 120.5° | 120.3° |
| C16 | C12 | N13 | 107.3° | 107.1° |
| C16 | C12 | C11 | 120.8° | 119.7° |
| O05 | C04 | C06 | 120.5° | 120.0° |
| O05 | C04 | C02 | 115.8° | 120.0° |
| C04 | O05 | H6 | 109.5° | 114.0° |
| C09 | C07 | C06 | 121.8° | 120.0° |
| C07 | C09 | C10 | 120.3° | 120.0° |
| C07 | C06 | C04 | 123.5° | 120.0° |
| C07 | C06 | H7 | 118.2° | 120.0° |
| C09 | C10 | C11 | 122.2° | 120.6° |
| C09 | C10 | H1 | 118.9° | 119.7° |
| N13 | C12 | C11 | 131.9° | 133.2° |
| C12 | N13 | H10 | 125.8° | 125.0° |
| C12 | C11 | C10 | 118.7° | 120.3° |
| C12 | C11 | H9 | 120.7° | 119.9° |
| C06 | C04 | C02 | 123.4° | 120.0° |
| C04 | C06 | H7 | 118.3° | 120.0° |
| C04 | C02 | O01 | 116.2° | 120.0° |
| C04 | C02 | O03 | 115.9° | 120.0° |
| C11 | C10 | H1 | 118.9° | 119.7° |
| C10 | C11 | H9 | 120.6° | 119.9° |
| O01 | C02 | O03 | 127.9° | 120.0° |
| C02 | O03 | H4 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C15 | C14 | N13 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 179.7° | 179.4° |
| C14 | C15 | C16 | C12 | 0.0° | 0.1° |
| C15 | C14 | N13 | C12 | 0.3° | 0.0° |
| C15 | C14 | N13 | H10 | 179.7° | 179.9° |
| C16 | C15 | C14 | N13 | 0.2° | 0.1° |
| C15 | C16 | C17 | C12 | 179.6° | 179.4° |
| C15 | C16 | C17 | C09 | 179.5° | 179.9° |
| C15 | C16 | C12 | N13 | 0.2° | 0.1° |
| C15 | C16 | C12 | C11 | 179.8° | 180.0° |
| C15 | C16 | C17 | H3 | 0.5° | 0.1° |
| C16 | C15 | C14 | H11 | 179.8° | 180.0° |
| O08 | C07 | C09 | C17 | 38.8° | 0.1° |
| O08 | C07 | C09 | C06 | 178.6° | 179.9° |
| O08 | C07 | C09 | C10 | 140.1° | 180.0° |
| O08 | C07 | C06 | C04 | 14.1° | 0.1° |
| O08 | C07 | C06 | H7 | 165.9° | 179.9° |
| C14 | N13 | C12 | C16 | 0.3° | 0.0° |
| C14 | N13 | C12 | H10 | 180.0° | 179.9° |
| C14 | N13 | C12 | C11 | 179.7° | 180.0° |
| N13 | C14 | C15 | H2 | 179.8° | 180.0° |
| C16 | C17 | C09 | H3 | 180.0° | 179.9° |
| C16 | C17 | C09 | C07 | 179.3° | 179.5° |
| C16 | C17 | C09 | C10 | 0.5° | 0.4° |
| C17 | C16 | C12 | N13 | 179.9° | 179.5° |
| C17 | C16 | C12 | C11 | 0.1° | 0.5° |
| C17 | C16 | C15 | H2 | 0.4° | 0.5° |
| C09 | C17 | C16 | C12 | 0.2° | 0.7° |
| C17 | C09 | C07 | C10 | 178.9° | 179.9° |
| C17 | C09 | C07 | C06 | 142.7° | 180.0° |
| C17 | C09 | C10 | C11 | 0.5° | 0.0° |
| C17 | C09 | C10 | H1 | 179.5° | 179.8° |
| C16 | C12 | N13 | C11 | 180.0° | 179.9° |
| C16 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C16 | C15 | H2 | 180.0° | 180.0° |
| C12 | C16 | C17 | H3 | 179.8° | 179.3° |
| C16 | C12 | C11 | H9 | 179.9° | 179.9° |
| C16 | C12 | N13 | H10 | 179.7° | 180.0° |
| O05 | C04 | C06 | C07 | 42.6° | 0.0° |
| O05 | C04 | C06 | C02 | 173.8° | 180.0° |
| O05 | C04 | C02 | O01 | 45.0° | 180.0° |
| O05 | C04 | C02 | O03 | 135.3° | 0.0° |
| O05 | C04 | C06 | H7 | 137.4° | 180.0° |
| C09 | C07 | C06 | C04 | 164.4° | 180.0° |
| C07 | C09 | C10 | C11 | 179.4° | 179.9° |
| C07 | C09 | C10 | H1 | 0.6° | 0.3° |
| C07 | C09 | C17 | H3 | 0.7° | 0.6° |
| C09 | C07 | C06 | H7 | 15.6° | 0.0° |
| C06 | C07 | C09 | C10 | 38.5° | 0.1° |
| C07 | C06 | C04 | H7 | 180.0° | 180.0° |
| C07 | C06 | C04 | C02 | 131.2° | 180.0° |
| C09 | C10 | C11 | C12 | 0.2° | 0.2° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C09 | C17 | H3 | 179.5° | 179.5° |
| C09 | C10 | C11 | H9 | 179.7° | 179.7° |
| N13 | C12 | C11 | C10 | 179.9° | 179.9° |
| N13 | C12 | C11 | H9 | 0.1° | 0.0° |
| C12 | N13 | C14 | H11 | 179.7° | 179.9° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 179.8° | 180.0° |
| C11 | C12 | N13 | H10 | 0.3° | 0.1° |
| C06 | C04 | C02 | O01 | 129.0° | 0.0° |
| C06 | C04 | C02 | O03 | 50.7° | 180.0° |
| C06 | C04 | O05 | H6 | 26.8° | 180.0° |
| C04 | C02 | O01 | O03 | 179.7° | 180.0° |
| C04 | C02 | O03 | H4 | 179.7° | 180.0° |
| C02 | C04 | O05 | H6 | 147.4° | 0.0° |
| C02 | C04 | C06 | H7 | 48.8° | 0.0° |
| O01 | C02 | O03 | H4 | 0.0° | 0.0° |
| H1 | C10 | C11 | H9 | 0.2° | 0.1° |
| H2 | C15 | C14 | H11 | 0.2° | 0.1° |
| H10 | N13 | C14 | H11 | 0.3° | 0.0° |
