6J3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.29Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.47Å | |
| C02 | O03 | sing | 1.35Å | 1.27Å | |
| C06 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | C09 | doub | 1.41Å | 1.43Å | Aromatic |
| C07 | N08 | doub | 1.32Å | 1.36Å | Aromatic |
| C09 | N08 | sing | 1.33Å | 1.35Å | Aromatic |
| C09 | N10 | sing | 1.38Å | 1.36Å | |
| N10 | C11 | sing | 1.40Å | 1.39Å | |
| C11 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.71Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C04 | 117.4° | 120.0° |
| O01 | C02 | O03 | 123.6° | 120.0° |
| C06 | C05 | C04 | 120.1° | 118.4° |
| C05 | C06 | C07 | 117.4° | 119.6° |
| C06 | C05 | H051 | 120.0° | 120.8° |
| C05 | C06 | H061 | 121.3° | 120.2° |
| C05 | C04 | C02 | 118.6° | 120.6° |
| C05 | C04 | C09 | 118.7° | 118.7° |
| C04 | C05 | H051 | 119.9° | 120.8° |
| C04 | C02 | O03 | 119.0° | 120.0° |
| C02 | C04 | C09 | 122.7° | 120.6° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C06 | C07 | N08 | 124.0° | 121.2° |
| C07 | C06 | H061 | 121.3° | 120.2° |
| C06 | C07 | H071 | 118.0° | 119.4° |
| C04 | C09 | N08 | 121.8° | 120.4° |
| C04 | C09 | N10 | 120.4° | 119.8° |
| C07 | N08 | C09 | 118.0° | 121.7° |
| N08 | C07 | H071 | 118.0° | 119.4° |
| N08 | C09 | N10 | 117.8° | 119.8° |
| C09 | N10 | C11 | 128.2° | 120.0° |
| C09 | N10 | H101 | 115.9° | 120.0° |
| N10 | C11 | C18 | 122.2° | 120.1° |
| N10 | C11 | C12 | 118.2° | 120.0° |
| C11 | N10 | H101 | 115.9° | 120.0° |
| C18 | C11 | C12 | 119.6° | 119.9° |
| C11 | C18 | C17 | 120.9° | 120.0° |
| C11 | C18 | H181 | 119.6° | 120.0° |
| C11 | C12 | C13 | 123.5° | 120.1° |
| C11 | C12 | C14 | 116.9° | 119.9° |
| C13 | C12 | C14 | 119.7° | 120.0° |
| C12 | C13 | H133 | 109.5° | 109.4° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.4° |
| C18 | C17 | C16 | 120.2° | 120.1° |
| C18 | C17 | H171 | 119.9° | 119.9° |
| C17 | C18 | H181 | 119.5° | 120.0° |
| C12 | C14 | C16 | 124.4° | 120.1° |
| C12 | C14 | CL | 117.8° | 120.0° |
| C17 | C16 | C14 | 118.0° | 120.1° |
| C17 | C16 | H161 | 121.0° | 120.0° |
| C16 | C17 | H171 | 119.9° | 120.0° |
| C16 | C14 | CL | 117.8° | 119.9° |
| C14 | C16 | H161 | 121.0° | 119.9° |
| H133 | C13 | H131 | 109.5° | 109.5° |
| H133 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C04 | C05 | 2.2° | 176.3° |
| O01 | C02 | C04 | O03 | 179.5° | 179.7° |
| O01 | C02 | C04 | C09 | 178.2° | 4.1° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 179.7° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C04 | C09 | 0.1° | 0.3° |
| C05 | C06 | C07 | N08 | 0.1° | 0.1° |
| C05 | C06 | C07 | H071 | 179.9° | 180.0° |
| C05 | C04 | C02 | C09 | 179.6° | 179.7° |
| C05 | C04 | C02 | O03 | 177.4° | 4.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C09 | N08 | 0.0° | 0.6° |
| C05 | C04 | C09 | N10 | 179.8° | 179.7° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C02 | C04 | C09 | N08 | 179.6° | 179.7° |
| C02 | C04 | C09 | N10 | 0.6° | 0.0° |
| C04 | C02 | O03 | H1 | 179.5° | 179.8° |
| C02 | C04 | C05 | H051 | 0.3° | 0.1° |
| O03 | C02 | C04 | C09 | 2.2° | 175.6° |
| C06 | C07 | N08 | H071 | 180.0° | 179.9° |
| C06 | C07 | N08 | C09 | 0.0° | 0.4° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| C04 | C09 | N08 | C07 | 0.0° | 0.7° |
| C04 | C09 | N08 | N10 | 179.8° | 179.7° |
| C04 | C09 | N10 | C11 | 176.5° | 173.2° |
| C09 | C04 | C05 | H051 | 179.9° | 179.8° |
| C04 | C09 | N10 | H101 | 3.5° | 6.7° |
| C07 | N08 | C09 | N10 | 179.8° | 179.6° |
| N08 | C07 | C06 | H061 | 179.9° | 179.9° |
| N08 | C09 | N10 | C11 | 3.3° | 6.5° |
| C09 | N08 | C07 | H071 | 180.0° | 179.7° |
| N08 | C09 | N10 | H101 | 176.7° | 173.6° |
| C09 | N10 | C11 | H101 | 180.0° | 179.9° |
| C09 | N10 | C11 | C18 | 42.3° | 11.7° |
| C09 | N10 | C11 | C12 | 138.0° | 168.5° |
| N10 | C11 | C18 | C12 | 179.7° | 179.8° |
| N10 | C11 | C12 | C13 | 0.0° | 0.0° |
| N10 | C11 | C18 | C17 | 179.7° | 179.7° |
| N10 | C11 | C12 | C14 | 180.0° | 180.0° |
| N10 | C11 | C18 | H181 | 0.3° | 0.0° |
| C18 | C11 | C12 | C13 | 179.7° | 179.7° |
| C11 | C18 | C17 | H181 | 180.0° | 179.7° |
| C18 | C11 | C12 | C14 | 0.3° | 0.3° |
| C11 | C18 | C17 | C16 | 0.7° | 0.5° |
| C18 | C11 | N10 | H101 | 137.7° | 168.2° |
| C11 | C18 | C17 | H171 | 179.3° | 179.8° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C12 | C11 | C18 | C17 | 0.6° | 0.5° |
| C11 | C12 | C14 | C16 | 0.1° | 0.0° |
| C11 | C12 | C14 | CL | 179.5° | 180.0° |
| C12 | C11 | N10 | H101 | 41.9° | 11.6° |
| C11 | C12 | C13 | H133 | 90.0° | 90.0° |
| C11 | C12 | C13 | H131 | 150.0° | 150.0° |
| C11 | C12 | C13 | H132 | 30.0° | 30.0° |
| C12 | C11 | C18 | H181 | 179.4° | 179.8° |
| C13 | C12 | C14 | C16 | 179.9° | 180.0° |
| C13 | C12 | C14 | CL | 0.5° | 0.0° |
| C12 | C13 | H133 | H131 | 120.0° | 120.0° |
| C12 | C13 | H133 | H132 | 120.0° | 119.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C18 | C17 | C16 | H171 | 180.0° | 179.7° |
| C18 | C17 | C16 | C14 | 0.4° | 0.3° |
| C18 | C17 | C16 | H161 | 179.6° | 179.7° |
| C12 | C14 | C16 | C17 | 0.2° | 0.1° |
| C12 | C14 | C16 | CL | 179.4° | 179.9° |
| C14 | C12 | C13 | H133 | 90.0° | 90.0° |
| C14 | C12 | C13 | H131 | 30.0° | 30.0° |
| C14 | C12 | C13 | H132 | 150.0° | 150.0° |
| C12 | C14 | C16 | H161 | 179.9° | 180.0° |
| C17 | C16 | C14 | H161 | 180.0° | 180.0° |
| C17 | C16 | C14 | CL | 179.6° | 180.0° |
| C16 | C17 | C18 | H181 | 179.3° | 179.8° |
| C14 | C16 | C17 | H171 | 179.6° | 180.0° |
| CL | C14 | C16 | H161 | 0.4° | 0.0° |
| H051 | C05 | C06 | H061 | 0.1° | 0.0° |
| H061 | C06 | C07 | H071 | 0.1° | 0.0° |
| H133 | C13 | H131 | H132 | 120.0° | 120.0° |
| H161 | C16 | C17 | H171 | 0.4° | 0.1° |
| H171 | C17 | C18 | H181 | 0.7° | 0.1° |
