32X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.40Å | 1.40Å | |
| C03 | C02 | doub | 1.39Å | 1.43Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C02 | C12 | sing | 1.38Å | 1.45Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.46Å | |
| C12 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.37Å | |
| C05 | C06 | sing | 1.39Å | 1.43Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.48Å | |
| C10 | N09 | doub | 1.29Å | 1.41Å | |
| C07 | N09 | sing | 1.34Å | 1.41Å | |
| C07 | O08 | doub | 1.22Å | 1.22Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 119.8° | 120.2° |
| N01 | C02 | C12 | 120.8° | 120.2° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| C02 | C03 | C04 | 120.9° | 120.2° |
| C03 | C02 | C12 | 119.3° | 119.5° |
| C02 | C03 | H6 | 119.6° | 119.9° |
| C03 | C04 | C05 | 120.5° | 120.6° |
| C04 | C03 | H6 | 119.6° | 119.9° |
| C03 | C04 | H7 | 119.8° | 119.7° |
| C02 | C12 | C11 | 122.4° | 122.0° |
| C02 | C12 | C06 | 118.3° | 120.5° |
| C04 | C05 | C06 | 119.0° | 119.7° |
| C05 | C04 | H7 | 119.7° | 119.7° |
| C04 | C05 | H8 | 120.5° | 120.1° |
| C11 | C12 | C06 | 119.3° | 117.5° |
| C12 | C11 | C10 | 120.6° | 117.2° |
| C12 | C11 | H2 | 106.6° | 107.9° |
| C12 | C11 | H3 | 106.7° | 107.9° |
| C12 | C06 | C05 | 121.9° | 119.5° |
| C12 | C06 | C07 | 119.6° | 119.1° |
| C11 | C10 | N09 | 120.3° | 120.4° |
| C11 | C10 | H1 | 119.8° | 119.8° |
| C10 | C11 | H2 | 106.6° | 107.9° |
| C10 | C11 | H3 | 106.6° | 107.9° |
| C05 | C06 | C07 | 118.4° | 121.4° |
| C06 | C05 | H8 | 120.5° | 120.1° |
| C06 | C07 | N09 | 117.1° | 121.9° |
| C06 | C07 | O08 | 126.2° | 119.1° |
| C10 | N09 | C07 | 122.8° | 124.1° |
| N09 | C10 | H1 | 119.8° | 119.8° |
| N09 | C07 | O08 | 116.7° | 119.0° |
| H2 | C11 | H3 | 109.4° | 107.7° |
| H4 | N01 | H5 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C12 | 177.3° | 180.0° |
| N01 | C02 | C03 | C04 | 177.3° | 180.0° |
| N01 | C02 | C12 | C11 | 0.4° | 0.0° |
| N01 | C02 | C12 | C06 | 179.1° | 180.0° |
| C02 | N01 | H4 | H5 | 120.0° | 179.9° |
| N01 | C02 | C03 | H6 | 2.7° | 0.1° |
| C02 | C03 | C04 | H6 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 2.4° | 0.0° |
| C03 | C02 | C12 | C11 | 176.8° | 180.0° |
| C03 | C02 | C12 | C06 | 3.6° | 0.0° |
| C03 | C02 | N01 | H4 | 180.0° | 180.0° |
| C03 | C02 | N01 | H5 | 60.0° | 0.1° |
| C02 | C03 | C04 | H7 | 177.6° | 180.0° |
| C04 | C03 | C02 | C12 | 0.0° | 0.0° |
| C03 | C04 | C05 | H7 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.0° | 0.1° |
| C03 | C04 | C05 | H8 | 178.9° | 179.9° |
| C02 | C12 | C11 | C06 | 179.6° | 180.0° |
| C02 | C12 | C11 | C10 | 176.4° | 180.0° |
| C02 | C12 | C06 | C05 | 5.0° | 0.0° |
| C02 | C12 | C06 | C07 | 179.8° | 180.0° |
| C02 | C12 | C11 | H2 | 62.0° | 58.1° |
| C02 | C12 | C11 | H3 | 54.8° | 58.0° |
| C12 | C02 | N01 | H4 | 2.7° | 0.0° |
| C12 | C02 | N01 | H5 | 122.7° | 179.9° |
| C12 | C02 | C03 | H6 | 180.0° | 179.9° |
| C04 | C05 | C06 | C12 | 2.7° | 0.1° |
| C04 | C05 | C06 | H8 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 177.9° | 180.0° |
| C05 | C04 | C03 | H6 | 177.7° | 180.0° |
| C12 | C11 | C10 | H2 | 121.6° | 121.9° |
| C12 | C11 | C10 | H3 | 121.6° | 121.9° |
| C11 | C12 | C06 | C05 | 175.4° | 180.0° |
| C11 | C12 | C06 | C07 | 0.2° | 0.0° |
| C12 | C11 | C10 | N09 | 6.7° | 0.0° |
| C12 | C11 | C10 | H1 | 173.3° | 179.8° |
| C12 | C11 | H2 | H3 | 115.0° | 116.2° |
| C06 | C12 | C11 | C10 | 4.0° | 0.0° |
| C12 | C06 | C05 | C07 | 175.2° | 180.0° |
| C12 | C06 | C07 | N09 | 0.8° | 0.0° |
| C12 | C06 | C07 | O08 | 177.7° | 179.9° |
| C06 | C12 | C11 | H2 | 117.6° | 121.9° |
| C06 | C12 | C11 | H3 | 125.6° | 122.0° |
| C12 | C06 | C05 | H8 | 177.3° | 179.9° |
| C11 | C10 | N09 | H1 | 180.0° | 179.8° |
| C11 | C10 | N09 | C07 | 5.7° | 0.0° |
| C10 | C11 | H2 | H3 | 115.0° | 116.3° |
| C05 | C06 | C07 | N09 | 174.6° | 180.0° |
| C05 | C06 | C07 | O08 | 6.9° | 0.1° |
| C06 | C05 | C04 | H7 | 179.0° | 180.0° |
| C06 | C07 | N09 | C10 | 1.9° | 0.0° |
| C06 | C07 | N09 | O08 | 178.7° | 179.9° |
| C07 | C06 | C05 | H8 | 2.1° | 0.0° |
| C10 | N09 | C07 | O08 | 179.5° | 179.9° |
| N09 | C10 | C11 | H2 | 114.9° | 121.9° |
| N09 | C10 | C11 | H3 | 128.2° | 121.9° |
| C07 | N09 | C10 | H1 | 174.3° | 179.8° |
| H1 | C10 | C11 | H2 | 65.1° | 58.3° |
| H1 | C10 | C11 | H3 | 51.7° | 57.8° |
| H6 | C03 | C04 | H7 | 2.3° | 0.1° |
| H7 | C04 | C05 | H8 | 1.1° | 0.0° |
