8OE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.40Å | 1.45Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | O08 | sing | 1.36Å | 1.40Å | |
| O08 | C09 | sing | 1.36Å | 1.39Å | |
| C09 | N10 | doub | 1.32Å | 1.31Å | Aromatic |
| C09 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| CL2 | C15 | sing | 1.74Å | 1.77Å | |
| N10 | C11 | sing | 1.32Å | 1.32Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | CL1 | sing | 1.74Å | 1.78Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 119.1° | 120.0° |
| N01 | C02 | C07 | 120.7° | 120.0° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.4° | 120.0° |
| C03 | C02 | C07 | 120.2° | 119.9° |
| C02 | C03 | C04 | 119.5° | 120.0° |
| C02 | C03 | H031 | 120.2° | 120.0° |
| C02 | C07 | C06 | 120.3° | 120.0° |
| C02 | C07 | H071 | 119.9° | 120.0° |
| C03 | C04 | C05 | 120.6° | 120.0° |
| C04 | C03 | H031 | 120.3° | 120.0° |
| C03 | C04 | H041 | 119.7° | 120.0° |
| C07 | C06 | C05 | 119.4° | 120.1° |
| C07 | C06 | H061 | 120.3° | 120.0° |
| C06 | C07 | H071 | 119.9° | 120.1° |
| C04 | C05 | C06 | 120.0° | 120.0° |
| C04 | C05 | O08 | 118.3° | 120.0° |
| C05 | C04 | H041 | 119.7° | 120.0° |
| C06 | C05 | O08 | 121.7° | 120.0° |
| C05 | C06 | H061 | 120.3° | 120.0° |
| C05 | O08 | C09 | 113.9° | 118.0° |
| O08 | C09 | N10 | 121.4° | 119.7° |
| O08 | C09 | C15 | 117.1° | 119.7° |
| N10 | C09 | C15 | 121.5° | 120.6° |
| C09 | N10 | C11 | 121.0° | 121.7° |
| C09 | C15 | CL2 | 119.9° | 120.5° |
| C09 | C15 | C14 | 119.7° | 119.1° |
| CL2 | C15 | C14 | 120.4° | 120.4° |
| N10 | C11 | C12 | 120.1° | 120.8° |
| N10 | C11 | H111 | 120.0° | 119.6° |
| C15 | C14 | C12 | 117.3° | 118.5° |
| C15 | C14 | H141 | 121.4° | 120.8° |
| C11 | C12 | C14 | 120.4° | 119.3° |
| C11 | C12 | CL1 | 119.9° | 120.4° |
| C12 | C11 | H111 | 119.9° | 119.6° |
| C14 | C12 | CL1 | 119.7° | 120.3° |
| C12 | C14 | H141 | 121.3° | 120.8° |
| H012 | N01 | H011 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C07 | 179.6° | 179.7° |
| N01 | C02 | C03 | C04 | 179.8° | 179.7° |
| N01 | C02 | C07 | C06 | 179.8° | 179.8° |
| N01 | C02 | C03 | H031 | 0.2° | 0.3° |
| N01 | C02 | C07 | H071 | 0.2° | 0.2° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C03 | C02 | C07 | C06 | 0.2° | 0.1° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C02 | C03 | C04 | H041 | 179.3° | 179.9° |
| C03 | C02 | C07 | H071 | 179.8° | 179.9° |
| C03 | C02 | N01 | H012 | 180.0° | 0.1° |
| C03 | C02 | N01 | H011 | 60.0° | 180.0° |
| C07 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C07 | C06 | H071 | 180.0° | 180.0° |
| C02 | C07 | C06 | C05 | 0.6° | 0.1° |
| C07 | C02 | C03 | H031 | 179.8° | 180.0° |
| C02 | C07 | C06 | H061 | 179.4° | 179.9° |
| C07 | C02 | N01 | H012 | 0.4° | 179.7° |
| C07 | C02 | N01 | H011 | 119.6° | 0.2° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 1.1° | 0.0° |
| C03 | C04 | C05 | O08 | 179.2° | 179.9° |
| C07 | C06 | C05 | C04 | 1.0° | 0.1° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | O08 | 179.1° | 180.0° |
| C04 | C05 | C06 | O08 | 178.1° | 179.9° |
| C04 | C05 | O08 | C09 | 100.2° | 76.7° |
| C05 | C04 | C03 | H031 | 179.4° | 180.0° |
| C04 | C05 | C06 | H061 | 179.0° | 180.0° |
| C06 | C05 | O08 | C09 | 81.7° | 103.4° |
| C06 | C05 | C04 | H041 | 178.9° | 179.9° |
| C05 | C06 | C07 | H071 | 179.4° | 179.9° |
| C05 | O08 | C09 | N10 | 9.4° | 4.9° |
| C05 | O08 | C09 | C15 | 170.5° | 174.8° |
| O08 | C05 | C04 | H041 | 0.8° | 0.0° |
| O08 | C05 | C06 | H061 | 0.9° | 0.1° |
| O08 | C09 | N10 | C15 | 179.9° | 179.7° |
| O08 | C09 | C15 | CL2 | 0.4° | 0.3° |
| O08 | C09 | N10 | C11 | 179.6° | 179.8° |
| O08 | C09 | C15 | C14 | 180.0° | 179.7° |
| N10 | C09 | C15 | CL2 | 179.7° | 180.0° |
| N10 | C09 | C15 | C14 | 0.1° | 0.0° |
| C09 | N10 | C11 | C12 | 0.5° | 0.0° |
| C09 | N10 | C11 | H111 | 179.6° | 180.0° |
| C09 | C15 | CL2 | C14 | 179.6° | 180.0° |
| C15 | C09 | N10 | C11 | 0.3° | 0.0° |
| C09 | C15 | C14 | C12 | 0.2° | 0.0° |
| C09 | C15 | C14 | H141 | 179.7° | 179.9° |
| CL2 | C15 | C14 | C12 | 179.9° | 180.0° |
| CL2 | C15 | C14 | H141 | 0.1° | 0.1° |
| N10 | C11 | C12 | H111 | 180.0° | 179.9° |
| N10 | C11 | C12 | C14 | 0.3° | 0.0° |
| N10 | C11 | C12 | CL1 | 179.7° | 179.9° |
| C15 | C14 | C12 | C11 | 0.1° | 0.0° |
| C15 | C14 | C12 | H141 | 180.0° | 179.9° |
| C15 | C14 | C12 | CL1 | 179.4° | 180.0° |
| C11 | C12 | C14 | CL1 | 179.4° | 180.0° |
| C11 | C12 | C14 | H141 | 179.9° | 180.0° |
| C14 | C12 | C11 | H111 | 179.7° | 180.0° |
| CL1 | C12 | C11 | H111 | 0.3° | 0.0° |
| CL1 | C12 | C14 | H141 | 0.7° | 0.0° |
| H031 | C03 | C04 | H041 | 0.7° | 0.1° |
| H061 | C06 | C07 | H071 | 0.6° | 0.1° |
