6X9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C1 | doub | 1.22Å | 1.25Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N9 | N2 | sing | 1.40Å | 1.25Å | Aromatic |
| N9 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C1 | N2 | sing | 1.35Å | 1.41Å | |
| C1 | C6 | sing | 1.41Å | 1.42Å | |
| C14 | C8 | sing | 1.51Å | 1.53Å | |
| N2 | C3 | sing | 1.36Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.35Å | 1.43Å | |
| C3 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | N4 | sing | 1.37Å | 1.36Å | |
| C7 | C15 | sing | 1.43Å | 1.44Å | |
| C5 | N4 | sing | 1.36Å | 1.35Å | |
| C5 | C13 | sing | 1.51Å | 1.55Å | |
| C15 | N16 | trip | 1.14Å | 1.14Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C1 | N2 | 118.5° | 120.1° |
| O10 | C1 | C6 | 122.2° | 120.1° |
| C12 | C11 | C6 | 106.1° | 109.4° |
| C12 | C11 | H2 | 110.3° | 109.5° |
| C12 | C11 | H3 | 110.3° | 109.5° |
| C11 | C12 | H4 | 109.5° | 109.4° |
| C11 | C12 | H5 | 109.5° | 109.5° |
| C11 | C12 | H6 | 109.5° | 109.5° |
| N2 | N9 | C8 | 110.5° | 109.3° |
| N9 | N2 | C1 | 129.6° | 131.9° |
| N9 | N2 | C3 | 111.0° | 108.1° |
| N9 | C8 | C14 | 125.6° | 125.7° |
| N9 | C8 | C7 | 108.2° | 108.5° |
| N2 | C1 | C6 | 119.3° | 119.7° |
| C1 | N2 | C3 | 118.6° | 119.9° |
| C1 | C6 | C11 | 118.9° | 120.1° |
| C1 | C6 | C5 | 117.9° | 119.7° |
| C14 | C8 | C7 | 124.8° | 125.8° |
| C8 | C14 | H10 | 109.5° | 109.5° |
| C8 | C14 | H11 | 109.5° | 109.5° |
| C8 | C14 | H12 | 109.5° | 109.5° |
| N2 | C3 | C7 | 103.6° | 107.1° |
| N2 | C3 | N4 | 121.6° | 120.5° |
| C8 | C7 | C3 | 106.3° | 107.0° |
| C8 | C7 | C15 | 123.7° | 126.5° |
| C11 | C6 | C5 | 123.2° | 120.1° |
| C6 | C11 | H2 | 110.3° | 109.5° |
| C6 | C11 | H3 | 110.3° | 109.5° |
| C6 | C5 | N4 | 121.7° | 119.8° |
| C6 | C5 | C13 | 121.7° | 120.1° |
| C7 | C3 | N4 | 134.7° | 132.4° |
| C3 | C7 | C15 | 129.6° | 126.5° |
| C3 | N4 | C5 | 120.4° | 120.3° |
| C3 | N4 | H1 | 119.8° | 119.9° |
| C7 | C15 | N16 | 176.6° | 179.9° |
| N4 | C5 | C13 | 116.4° | 120.1° |
| C5 | N4 | H1 | 119.8° | 119.9° |
| C5 | C13 | H7 | 109.5° | 109.5° |
| C5 | C13 | H8 | 109.5° | 109.5° |
| C5 | C13 | H9 | 109.4° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H4 | C12 | H6 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.4° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C1 | N2 | N9 | 6.5° | 0.3° |
| O10 | C1 | N2 | C6 | 179.2° | 179.7° |
| O10 | C1 | N2 | C3 | 175.1° | 179.7° |
| O10 | C1 | C6 | C11 | 1.6° | 0.3° |
| O10 | C1 | C6 | C5 | 178.4° | 179.7° |
| C12 | C11 | C6 | C1 | 85.4° | 85.0° |
| C12 | C11 | C6 | H2 | 119.5° | 120.0° |
| C12 | C11 | C6 | H3 | 119.4° | 120.0° |
| C12 | C11 | C6 | C5 | 94.5° | 95.0° |
| C12 | C11 | H2 | H3 | 121.5° | 120.0° |
| C11 | C12 | H4 | H5 | 120.0° | 120.0° |
| C11 | C12 | H4 | H6 | 120.0° | 120.0° |
| C11 | C12 | H5 | H6 | 120.0° | 120.1° |
| N9 | N2 | C1 | C3 | 168.6° | 179.9° |
| N9 | N2 | C1 | C6 | 174.3° | 180.0° |
| N2 | N9 | C8 | C14 | 171.1° | 180.0° |
| N2 | N9 | C8 | C7 | 3.8° | 0.0° |
| N9 | N2 | C3 | C7 | 4.1° | 0.0° |
| N9 | N2 | C3 | N4 | 173.5° | 180.0° |
| C8 | N9 | N2 | C1 | 169.6° | 180.0° |
| N9 | C8 | C14 | C7 | 165.3° | 180.0° |
| C8 | N9 | N2 | C3 | 0.2° | 0.0° |
| N9 | C8 | C7 | C3 | 6.3° | 0.0° |
| N9 | C8 | C7 | C15 | 179.6° | 180.0° |
| N9 | C8 | C14 | H10 | 0.0° | 90.0° |
| N9 | C8 | C14 | H11 | 120.0° | 30.0° |
| N9 | C8 | C14 | H12 | 120.0° | 150.0° |
| N2 | C1 | C6 | C11 | 177.6° | 180.0° |
| N2 | C1 | C6 | C5 | 2.5° | 0.0° |
| C1 | N2 | C3 | C7 | 174.8° | 180.0° |
| C1 | N2 | C3 | N4 | 2.9° | 0.1° |
| C6 | C1 | N2 | C3 | 5.7° | 0.1° |
| C1 | C6 | C11 | C5 | 179.9° | 180.0° |
| C1 | C6 | C5 | N4 | 3.8° | 0.0° |
| C1 | C6 | C5 | C13 | 179.2° | 180.0° |
| C1 | C6 | C11 | H2 | 155.1° | 35.0° |
| C1 | C6 | C11 | H3 | 34.1° | 155.0° |
| C14 | C8 | C7 | C3 | 173.7° | 180.0° |
| C14 | C8 | C7 | C15 | 12.9° | 0.0° |
| C8 | C14 | H10 | H11 | 120.0° | 120.0° |
| C8 | C14 | H10 | H12 | 120.0° | 120.0° |
| C8 | C14 | H11 | H12 | 120.0° | 120.0° |
| N2 | C3 | C7 | C8 | 6.1° | 0.0° |
| N2 | C3 | C7 | N4 | 177.2° | 179.9° |
| N2 | C3 | C7 | C15 | 178.9° | 180.0° |
| N2 | C3 | N4 | C5 | 3.4° | 0.1° |
| N2 | C3 | N4 | H1 | 176.6° | 179.9° |
| C8 | C7 | C3 | C15 | 172.8° | 180.0° |
| C8 | C7 | C3 | N4 | 171.1° | 180.0° |
| C8 | C7 | C15 | N16 | 9.3° | 118.7° |
| C7 | C8 | C14 | H10 | 165.3° | 90.0° |
| C7 | C8 | C14 | H11 | 74.7° | 150.0° |
| C7 | C8 | C14 | H12 | 45.3° | 30.0° |
| C11 | C6 | C5 | N4 | 176.1° | 180.0° |
| C11 | C6 | C5 | C13 | 0.7° | 0.0° |
| C6 | C11 | H2 | H3 | 121.6° | 120.0° |
| C6 | C11 | C12 | H4 | 180.0° | 180.0° |
| C6 | C11 | C12 | H5 | 60.0° | 60.0° |
| C6 | C11 | C12 | H6 | 60.0° | 60.1° |
| C6 | C5 | N4 | C3 | 6.9° | 0.0° |
| C6 | C5 | N4 | C13 | 175.6° | 180.0° |
| C5 | C6 | C11 | H2 | 24.9° | 145.0° |
| C5 | C6 | C11 | H3 | 146.0° | 25.0° |
| C6 | C5 | C13 | H7 | 180.0° | 180.0° |
| C6 | C5 | C13 | H8 | 60.0° | 60.0° |
| C6 | C5 | C13 | H9 | 60.0° | 60.1° |
| C6 | C5 | N4 | H1 | 173.1° | 180.0° |
| C7 | C3 | N4 | C5 | 179.8° | 180.0° |
| C3 | C7 | C15 | N16 | 162.3° | 61.3° |
| C7 | C3 | N4 | H1 | 0.2° | 0.0° |
| N4 | C3 | C7 | C15 | 1.7° | 0.0° |
| C3 | N4 | C5 | H1 | 180.0° | 180.0° |
| C3 | N4 | C5 | C13 | 177.5° | 179.9° |
| N4 | C5 | C13 | H7 | 4.4° | 0.0° |
| N4 | C5 | C13 | H8 | 115.6° | 120.0° |
| N4 | C5 | C13 | H9 | 124.4° | 120.0° |
| C5 | C13 | H7 | H8 | 120.0° | 120.0° |
| C5 | C13 | H7 | H9 | 120.0° | 120.0° |
| C5 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C5 | N4 | H1 | 2.5° | 0.1° |
| H2 | C11 | C12 | H4 | 60.5° | 60.0° |
| H2 | C11 | C12 | H5 | 59.5° | 180.0° |
| H2 | C11 | C12 | H6 | 179.4° | 59.9° |
| H3 | C11 | C12 | H4 | 60.5° | 60.0° |
| H3 | C11 | C12 | H5 | 179.5° | 59.9° |
| H3 | C11 | C12 | H6 | 59.5° | 180.0° |
| H4 | C12 | H5 | H6 | 120.0° | 120.0° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
