47Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C8 | doub | 1.31Å | 1.38Å | Aromatic |
| N9 | N10 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.46Å | 1.48Å | |
| C8 | N7 | sing | 1.33Å | 1.37Å | Aromatic |
| N10 | C6 | sing | 1.34Å | 1.34Å | Aromatic |
| N7 | C6 | doub | 1.31Å | 1.38Å | Aromatic |
| C6 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | N5 | sing | 1.47Å | 1.50Å | |
| C4 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| N5 | H1 | sing | 1.01Å | 1.00Å | |
| N5 | H2 | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N9 | N10 | 100.6° | 106.8° |
| N9 | C8 | N7 | 113.1° | 109.0° |
| N9 | C8 | H12 | 123.5° | 125.5° |
| N9 | N10 | C11 | 116.8° | 126.9° |
| N9 | N10 | C6 | 113.8° | 106.3° |
| C11 | N10 | C6 | 129.4° | 126.8° |
| N10 | C11 | H13 | 109.5° | 109.5° |
| N10 | C11 | H14 | 109.5° | 109.5° |
| N10 | C11 | H15 | 109.5° | 109.4° |
| C8 | N7 | C6 | 106.1° | 109.8° |
| N7 | C8 | H12 | 123.4° | 125.6° |
| N10 | C6 | N7 | 106.3° | 108.1° |
| N10 | C6 | C4 | 124.7° | 126.0° |
| N7 | C6 | C4 | 128.8° | 125.9° |
| C6 | C4 | N5 | 107.0° | 109.5° |
| C6 | C4 | C2 | 111.6° | 109.5° |
| C6 | C4 | H4 | 108.0° | 109.5° |
| N5 | C4 | C2 | 114.5° | 109.5° |
| C4 | N5 | H1 | 109.5° | 111.0° |
| C4 | N5 | H2 | 109.5° | 111.0° |
| N5 | C4 | H4 | 108.0° | 109.5° |
| C4 | C2 | C1 | 113.9° | 109.5° |
| C4 | C2 | C3 | 111.9° | 109.5° |
| C2 | C4 | H4 | 107.5° | 109.5° |
| C4 | C2 | H5 | 106.0° | 109.5° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C1 | C2 | H5 | 106.0° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C3 | C2 | H5 | 106.1° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H8 | 109.4° | 109.5° |
| H1 | N5 | H2 | 109.5° | 111.0° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.4° | 109.4° |
| H10 | C1 | H11 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N9 | N10 | C11 | 179.0° | 179.9° |
| N9 | C8 | N7 | H12 | 180.0° | 179.9° |
| C8 | N9 | N10 | C6 | 1.6° | 0.4° |
| N9 | C8 | N7 | C6 | 0.9° | 0.0° |
| N9 | N10 | C11 | C6 | 179.3° | 179.6° |
| N10 | N9 | C8 | N7 | 0.3° | 0.3° |
| N9 | N10 | C6 | N7 | 2.2° | 0.4° |
| N9 | N10 | C6 | C4 | 178.4° | 179.9° |
| N10 | N9 | C8 | H12 | 179.7° | 179.8° |
| N9 | N10 | C11 | H13 | 0.0° | 89.9° |
| N9 | N10 | C11 | H14 | 120.0° | 150.0° |
| N9 | N10 | C11 | H15 | 120.0° | 30.1° |
| C11 | N10 | C6 | N7 | 178.5° | 180.0° |
| C11 | N10 | C6 | C4 | 2.3° | 0.2° |
| N10 | C11 | H13 | H14 | 120.0° | 120.1° |
| N10 | C11 | H13 | H15 | 120.0° | 120.0° |
| N10 | C11 | H14 | H15 | 120.0° | 119.9° |
| C8 | N7 | C6 | N10 | 1.8° | 0.2° |
| C8 | N7 | C6 | C4 | 177.8° | 180.0° |
| N10 | C6 | N7 | C4 | 176.0° | 179.7° |
| N10 | C6 | C4 | N5 | 172.4° | 134.7° |
| N10 | C6 | C4 | C2 | 61.6° | 105.3° |
| N10 | C6 | C4 | H4 | 56.3° | 14.7° |
| C6 | N10 | C11 | H13 | 179.3° | 90.5° |
| C6 | N10 | C11 | H14 | 60.7° | 29.5° |
| C6 | N10 | C11 | H15 | 59.3° | 149.5° |
| N7 | C6 | C4 | N5 | 2.9° | 45.0° |
| N7 | C6 | C4 | C2 | 123.0° | 75.1° |
| N7 | C6 | C4 | H4 | 119.0° | 165.0° |
| C6 | N7 | C8 | H12 | 179.1° | 179.9° |
| C6 | C4 | N5 | C2 | 124.2° | 120.0° |
| C6 | C4 | N5 | H4 | 116.1° | 120.0° |
| C6 | C4 | C2 | H4 | 118.2° | 120.0° |
| C6 | C4 | C2 | C1 | 164.7° | 60.0° |
| C6 | C4 | C2 | C3 | 66.8° | 180.0° |
| C6 | C4 | N5 | H1 | 180.0° | 63.9° |
| C6 | C4 | N5 | H2 | 60.0° | 60.0° |
| C6 | C4 | C2 | H5 | 48.5° | 60.0° |
| N5 | C4 | C2 | H4 | 120.0° | 120.0° |
| N5 | C4 | C2 | C1 | 73.5° | 60.0° |
| N5 | C4 | C2 | C3 | 54.9° | 60.0° |
| C4 | N5 | H1 | H2 | 120.0° | 123.9° |
| N5 | C4 | C2 | H5 | 170.2° | 180.0° |
| C4 | C2 | C1 | C3 | 128.3° | 120.0° |
| C4 | C2 | C1 | H5 | 116.2° | 120.0° |
| C4 | C2 | C3 | H5 | 115.2° | 120.0° |
| C2 | C4 | N5 | H1 | 55.8° | 176.0° |
| C2 | C4 | N5 | H2 | 175.8° | 60.0° |
| C4 | C2 | C3 | H6 | 180.0° | 60.0° |
| C4 | C2 | C3 | H7 | 60.0° | 180.0° |
| C4 | C2 | C3 | H8 | 60.0° | 60.0° |
| C4 | C2 | C1 | H9 | 180.0° | 60.0° |
| C4 | C2 | C1 | H10 | 60.0° | 60.0° |
| C4 | C2 | C1 | H11 | 60.0° | 180.0° |
| C1 | C2 | C3 | H5 | 115.4° | 120.0° |
| C1 | C2 | C4 | H4 | 46.4° | 180.0° |
| C1 | C2 | C3 | H6 | 50.6° | 60.0° |
| C1 | C2 | C3 | H7 | 69.4° | 59.9° |
| C1 | C2 | C3 | H8 | 170.6° | 180.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 174.9° | 60.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H8 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C3 | C2 | C1 | H9 | 51.6° | 60.0° |
| C3 | C2 | C1 | H10 | 171.7° | 180.0° |
| C3 | C2 | C1 | H11 | 68.3° | 60.0° |
| H1 | N5 | C4 | H4 | 63.9° | 56.0° |
| H2 | N5 | C4 | H4 | 56.1° | 180.0° |
| H4 | C4 | C2 | H5 | 69.8° | 60.0° |
| H5 | C2 | C3 | H6 | 64.8° | 180.0° |
| H5 | C2 | C3 | H7 | 175.2° | 60.0° |
| H5 | C2 | C3 | H8 | 55.2° | 60.0° |
| H5 | C2 | C1 | H9 | 63.8° | 180.0° |
| H5 | C2 | C1 | H10 | 56.2° | 60.0° |
| H5 | C2 | C1 | H11 | 176.2° | 60.0° |
| H6 | C3 | H7 | H8 | 120.0° | 120.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
