8K3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C07 | sing | 1.37Å | 0.00Å | Aromatic |
| N06 | C05 | sing | 1.37Å | 0.00Å | Aromatic |
| C12 | C07 | sing | 1.39Å | 0.00Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 0.00Å | Aromatic |
| C07 | C08 | doub | 1.41Å | 0.00Å | Aromatic |
| C05 | C04 | doub | 1.34Å | 0.00Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 0.00Å | Aromatic |
| C08 | C04 | sing | 1.47Å | 0.00Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 0.00Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 0.00Å | |
| C10 | C09 | doub | 1.39Å | 0.00Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 0.00Å | |
| O14 | C13 | doub | 1.22Å | 0.00Å | |
| C02 | C03 | sing | 1.53Å | 0.00Å | |
| C02 | N01 | sing | 1.47Å | 0.00Å | |
| C13 | N15 | sing | 1.35Å | 0.00Å | |
| N01 | H1 | sing | 1.01Å | 0.00Å | |
| N01 | H2 | sing | 1.01Å | 0.00Å | |
| C02 | H4 | sing | 1.09Å | 0.00Å | |
| C02 | H5 | sing | 1.09Å | 0.00Å | |
| C03 | H6 | sing | 1.09Å | 0.00Å | |
| C03 | H7 | sing | 1.09Å | 0.00Å | |
| C05 | H8 | sing | 1.08Å | 0.00Å | |
| N06 | H9 | sing | 0.97Å | 0.00Å | |
| C09 | H10 | sing | 1.08Å | 0.00Å | |
| C11 | H11 | sing | 1.08Å | 0.00Å | |
| C12 | H12 | sing | 1.08Å | 0.00Å | |
| N15 | H13 | sing | 0.97Å | 0.00Å | |
| N15 | H14 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | N06 | C05 | 90.0° | 110.0° |
| N06 | C07 | C12 | 90.0° | 133.3° |
| N06 | C07 | C08 | 90.0° | 107.1° |
| C07 | N06 | H9 | 90.0° | 125.0° |
| N06 | C05 | C04 | 90.0° | 110.0° |
| N06 | C05 | H8 | 90.0° | 125.0° |
| C05 | N06 | H9 | 90.0° | 125.0° |
| C07 | C12 | C11 | 90.0° | 120.3° |
| C12 | C07 | C08 | 90.0° | 119.6° |
| C07 | C12 | H12 | 90.0° | 119.8° |
| C12 | C11 | C10 | 90.0° | 120.7° |
| C12 | C11 | H11 | 90.0° | 119.6° |
| C11 | C12 | H12 | 90.0° | 119.9° |
| C07 | C08 | C04 | 90.0° | 106.0° |
| C07 | C08 | C09 | 90.0° | 120.0° |
| C05 | C04 | C08 | 90.0° | 106.9° |
| C05 | C04 | C03 | 90.0° | 126.6° |
| C04 | C05 | H8 | 90.0° | 125.0° |
| C11 | C10 | C09 | 90.0° | 120.0° |
| C11 | C10 | C13 | 90.0° | 120.0° |
| C10 | C11 | H11 | 90.0° | 119.7° |
| C04 | C08 | C09 | 90.0° | 133.9° |
| C08 | C04 | C03 | 90.0° | 126.6° |
| C08 | C09 | C10 | 90.0° | 119.4° |
| C08 | C09 | H10 | 90.0° | 120.3° |
| C04 | C03 | C02 | 90.0° | 109.5° |
| C04 | C03 | H6 | 90.0° | 109.5° |
| C04 | C03 | H7 | 90.0° | 109.4° |
| C09 | C10 | C13 | 90.0° | 120.0° |
| C10 | C09 | H10 | 90.0° | 120.3° |
| C10 | C13 | O14 | 90.0° | 120.0° |
| C10 | C13 | N15 | 90.0° | 120.0° |
| O14 | C13 | N15 | 90.0° | 120.1° |
| C03 | C02 | N01 | 90.0° | 109.5° |
| C03 | C02 | H4 | 90.0° | 109.5° |
| C03 | C02 | H5 | 90.0° | 109.5° |
| C02 | C03 | H6 | 90.0° | 109.5° |
| C02 | C03 | H7 | 90.0° | 109.5° |
| C02 | N01 | H1 | 90.0° | 111.0° |
| C02 | N01 | H2 | 90.0° | 111.0° |
| N01 | C02 | H4 | 90.0° | 109.4° |
| N01 | C02 | H5 | 90.0° | 109.4° |
| C13 | N15 | H13 | 90.0° | 120.0° |
| C13 | N15 | H14 | 90.0° | 119.9° |
| H1 | N01 | H2 | 90.0° | 111.0° |
| H4 | C02 | H5 | 90.0° | 109.5° |
| H6 | C03 | H7 | 90.0° | 109.5° |
| H13 | N15 | H14 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | N06 | C05 | H9 | 90.0° | 179.8° |
| N06 | C07 | C12 | C08 | 90.0° | 179.7° |
| N06 | C07 | C12 | C11 | 90.0° | 179.9° |
| C07 | N06 | C05 | C04 | 90.0° | 0.0° |
| N06 | C07 | C08 | C04 | 90.0° | 0.4° |
| N06 | C07 | C08 | C09 | 90.0° | 180.0° |
| C07 | N06 | C05 | H8 | 90.0° | 180.0° |
| N06 | C07 | C12 | H12 | 90.0° | 0.0° |
| C05 | N06 | C07 | C12 | 90.0° | 180.0° |
| C05 | N06 | C07 | C08 | 90.0° | 0.2° |
| N06 | C05 | C04 | H8 | 90.0° | 179.9° |
| N06 | C05 | C04 | C08 | 90.0° | 0.3° |
| N06 | C05 | C04 | C03 | 90.0° | 180.0° |
| C07 | C12 | C11 | H12 | 90.0° | 179.9° |
| C07 | C12 | C11 | C10 | 90.0° | 0.3° |
| C12 | C07 | C08 | C04 | 90.0° | 179.8° |
| C12 | C07 | C08 | C09 | 90.0° | 0.2° |
| C12 | C07 | N06 | H9 | 90.0° | 0.2° |
| C07 | C12 | C11 | H11 | 90.0° | 179.8° |
| C11 | C12 | C07 | C08 | 90.0° | 0.3° |
| C12 | C11 | C10 | H11 | 90.0° | 179.9° |
| C12 | C11 | C10 | C09 | 90.0° | 0.1° |
| C12 | C11 | C10 | C13 | 90.0° | 179.8° |
| C07 | C08 | C04 | C05 | 90.0° | 0.4° |
| C07 | C08 | C04 | C09 | 90.0° | 179.6° |
| C07 | C08 | C04 | C03 | 90.0° | 179.9° |
| C07 | C08 | C09 | C10 | 90.0° | 0.0° |
| C08 | C07 | N06 | H9 | 90.0° | 179.9° |
| C07 | C08 | C09 | H10 | 90.0° | 180.0° |
| C08 | C07 | C12 | H12 | 90.0° | 179.7° |
| C05 | C04 | C08 | C03 | 90.0° | 179.7° |
| C05 | C04 | C08 | C09 | 90.0° | 180.0° |
| C05 | C04 | C03 | C02 | 90.0° | 95.0° |
| C05 | C04 | C03 | H6 | 90.0° | 145.0° |
| C05 | C04 | C03 | H7 | 90.0° | 25.0° |
| C04 | C05 | N06 | H9 | 90.0° | 179.8° |
| C11 | C10 | C09 | C08 | 90.0° | 0.1° |
| C11 | C10 | C09 | C13 | 90.0° | 179.9° |
| C11 | C10 | C13 | O14 | 90.0° | 180.0° |
| C11 | C10 | C13 | N15 | 90.0° | 0.0° |
| C11 | C10 | C09 | H10 | 90.0° | 179.9° |
| C10 | C11 | C12 | H12 | 90.0° | 179.8° |
| C04 | C08 | C09 | C10 | 90.0° | 179.5° |
| C08 | C04 | C03 | C02 | 90.0° | 84.7° |
| C08 | C04 | C03 | H6 | 90.0° | 35.3° |
| C08 | C04 | C03 | H7 | 90.0° | 155.3° |
| C08 | C04 | C05 | H8 | 90.0° | 179.8° |
| C04 | C08 | C09 | H10 | 90.0° | 0.5° |
| C09 | C08 | C04 | C03 | 90.0° | 0.3° |
| C08 | C09 | C10 | H10 | 90.0° | 180.0° |
| C08 | C09 | C10 | C13 | 90.0° | 180.0° |
| C04 | C03 | C02 | H6 | 90.0° | 120.0° |
| C04 | C03 | C02 | H7 | 90.0° | 120.0° |
| C04 | C03 | C02 | N01 | 90.0° | 180.0° |
| C04 | C03 | C02 | H4 | 90.0° | 60.0° |
| C04 | C03 | C02 | H5 | 90.0° | 60.0° |
| C04 | C03 | H6 | H7 | 90.0° | 120.0° |
| C03 | C04 | C05 | H8 | 90.0° | 0.1° |
| C09 | C10 | C13 | O14 | 90.0° | 0.0° |
| C09 | C10 | C13 | N15 | 90.0° | 180.0° |
| C09 | C10 | C11 | H11 | 90.0° | 179.9° |
| C10 | C13 | O14 | N15 | 90.0° | 180.0° |
| C13 | C10 | C09 | H10 | 90.0° | 0.0° |
| C13 | C10 | C11 | H11 | 90.0° | 0.0° |
| C10 | C13 | N15 | H13 | 90.0° | 0.0° |
| C10 | C13 | N15 | H14 | 90.0° | 180.0° |
| O14 | C13 | N15 | H13 | 90.0° | 179.9° |
| O14 | C13 | N15 | H14 | 90.0° | 0.0° |
| C03 | C02 | N01 | H4 | 90.0° | 120.0° |
| C03 | C02 | N01 | H5 | 90.0° | 120.0° |
| C03 | C02 | N01 | H1 | 90.0° | 56.0° |
| C03 | C02 | N01 | H2 | 90.0° | 180.0° |
| C03 | C02 | H4 | H5 | 90.0° | 120.1° |
| C02 | C03 | H6 | H7 | 90.0° | 120.0° |
| C02 | N01 | H1 | H2 | 90.0° | 124.0° |
| N01 | C02 | H4 | H5 | 90.0° | 119.9° |
| N01 | C02 | C03 | H6 | 90.0° | 60.0° |
| N01 | C02 | C03 | H7 | 90.0° | 60.0° |
| C13 | N15 | H13 | H14 | 90.0° | 179.9° |
| H1 | N01 | C02 | H4 | 90.0° | 176.0° |
| H1 | N01 | C02 | H5 | 90.0° | 64.0° |
| H2 | N01 | C02 | H4 | 90.0° | 59.9° |
| H2 | N01 | C02 | H5 | 90.0° | 60.0° |
| H4 | C02 | C03 | H6 | 90.0° | 180.0° |
| H4 | C02 | C03 | H7 | 90.0° | 59.9° |
| H5 | C02 | C03 | H6 | 90.0° | 60.0° |
| H5 | C02 | C03 | H7 | 90.0° | 180.0° |
| H8 | C05 | N06 | H9 | 90.0° | 0.1° |
| H11 | C11 | C12 | H12 | 90.0° | 0.1° |
