NY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N2 | sing | 1.47Å | 1.48Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C8 | sing | 1.40Å | 1.41Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C8 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | 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 | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C10 | C9 | 109.5° | 109.5° |
| N2 | C10 | H7 | 109.5° | 109.5° |
| N2 | C10 | H8 | 109.5° | 109.4° |
| C10 | N2 | H13 | 109.5° | 111.0° |
| C10 | N2 | H14 | 109.5° | 111.0° |
| C10 | C9 | O2 | 120.6° | 120.0° |
| C10 | C9 | N1 | 114.4° | 120.0° |
| C9 | C10 | H7 | 109.5° | 109.5° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| O2 | C9 | N1 | 125.0° | 120.0° |
| C9 | N1 | C8 | 128.7° | 120.0° |
| C9 | N1 | H1 | 115.7° | 120.0° |
| N1 | C8 | C2 | 115.7° | 120.1° |
| N1 | C8 | C7 | 124.4° | 120.1° |
| C8 | N1 | H1 | 115.6° | 120.0° |
| C1 | O1 | C2 | 118.5° | 117.0° |
| O1 | C1 | H9 | 109.5° | 109.5° |
| O1 | C1 | H10 | 109.5° | 109.5° |
| O1 | C1 | H11 | 109.5° | 109.4° |
| O1 | C2 | C8 | 115.4° | 120.1° |
| O1 | C2 | C3 | 125.4° | 120.1° |
| C2 | C8 | C7 | 120.0° | 119.8° |
| C8 | C2 | C3 | 119.1° | 119.8° |
| C8 | C7 | C5 | 121.1° | 120.0° |
| C8 | C7 | H6 | 119.5° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H12 | 120.2° | 120.0° |
| C7 | C5 | C4 | 118.3° | 120.2° |
| C7 | C5 | C6 | 120.6° | 119.9° |
| C5 | C7 | H6 | 119.5° | 120.0° |
| C3 | C4 | C5 | 121.8° | 120.2° |
| C3 | C4 | H2 | 119.1° | 119.9° |
| C4 | C3 | H12 | 120.1° | 120.0° |
| C4 | C5 | C6 | 121.1° | 119.9° |
| C5 | C4 | H2 | 119.1° | 120.0° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H13 | N2 | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C10 | C9 | H7 | 120.0° | 120.0° |
| N2 | C10 | C9 | H8 | 120.0° | 119.9° |
| N2 | C10 | C9 | O2 | 49.8° | 0.0° |
| N2 | C10 | C9 | N1 | 129.7° | 180.0° |
| N2 | C10 | H7 | H8 | 120.0° | 119.9° |
| C10 | N2 | H13 | H14 | 120.0° | 123.9° |
| C10 | C9 | O2 | N1 | 179.5° | 180.0° |
| C10 | C9 | N1 | C8 | 179.7° | 174.5° |
| C10 | C9 | N1 | H1 | 0.3° | 5.8° |
| C9 | C10 | H7 | H8 | 120.0° | 120.1° |
| C9 | C10 | N2 | H13 | 180.0° | 56.1° |
| C9 | C10 | N2 | H14 | 60.0° | 180.0° |
| O2 | C9 | N1 | C8 | 0.1° | 5.5° |
| O2 | C9 | N1 | H1 | 179.8° | 174.2° |
| O2 | C9 | C10 | H7 | 169.8° | 120.0° |
| O2 | C9 | C10 | H8 | 70.2° | 119.9° |
| C9 | N1 | C8 | H1 | 180.0° | 179.7° |
| C9 | N1 | C8 | C2 | 176.0° | 155.2° |
| C9 | N1 | C8 | C7 | 4.4° | 24.8° |
| N1 | C9 | C10 | H7 | 9.7° | 60.0° |
| N1 | C9 | C10 | H8 | 110.3° | 60.1° |
| N1 | C8 | C2 | O1 | 0.4° | 0.0° |
| N1 | C8 | C2 | C7 | 179.6° | 180.0° |
| N1 | C8 | C2 | C3 | 179.7° | 179.7° |
| N1 | C8 | C7 | C5 | 179.7° | 180.0° |
| N1 | C8 | C7 | H6 | 0.2° | 0.0° |
| C1 | O1 | C2 | C8 | 148.0° | 180.0° |
| C1 | O1 | C2 | C3 | 32.1° | 0.3° |
| O1 | C1 | H9 | H10 | 120.0° | 120.0° |
| O1 | C1 | H9 | H11 | 120.0° | 120.0° |
| O1 | C1 | H10 | H11 | 120.0° | 120.0° |
| O1 | C2 | C8 | C3 | 179.9° | 179.7° |
| O1 | C2 | C8 | C7 | 180.0° | 180.0° |
| O1 | C2 | C3 | C4 | 179.8° | 179.7° |
| C2 | O1 | C1 | H9 | 180.0° | 60.0° |
| C2 | O1 | C1 | H10 | 60.0° | 60.0° |
| C2 | O1 | C1 | H11 | 60.0° | 180.0° |
| O1 | C2 | C3 | H12 | 0.2° | 0.3° |
| C2 | C8 | C7 | C5 | 0.2° | 0.0° |
| C8 | C2 | C3 | C4 | 0.1° | 0.6° |
| C2 | C8 | N1 | H1 | 4.0° | 24.5° |
| C2 | C8 | C7 | H6 | 179.8° | 180.0° |
| C8 | C2 | C3 | H12 | 179.9° | 180.0° |
| C7 | C8 | C2 | C3 | 0.1° | 0.3° |
| C8 | C7 | C5 | H6 | 180.0° | 180.0° |
| C8 | C7 | C5 | C4 | 0.1° | 0.0° |
| C8 | C7 | C5 | C6 | 179.8° | 180.0° |
| C7 | C8 | N1 | H1 | 175.6° | 155.5° |
| C2 | C3 | C4 | H12 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C2 | C3 | C4 | H2 | 179.9° | 179.7° |
| C7 | C5 | C4 | C3 | 0.0° | 0.2° |
| C7 | C5 | C4 | C6 | 179.7° | 179.9° |
| C7 | C5 | C4 | H2 | 180.0° | 180.0° |
| C7 | C5 | C6 | H3 | 90.1° | 90.0° |
| C7 | C5 | C6 | H4 | 149.9° | 30.1° |
| C7 | C5 | C6 | H5 | 29.8° | 150.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 179.7° | 179.7° |
| C4 | C5 | C6 | H3 | 90.1° | 90.0° |
| C4 | C5 | C6 | H4 | 29.8° | 150.0° |
| C4 | C5 | C6 | H5 | 149.9° | 30.0° |
| C4 | C5 | C7 | H6 | 179.8° | 180.0° |
| C5 | C4 | C3 | H12 | 179.9° | 180.0° |
| C6 | C5 | C4 | H2 | 0.3° | 0.0° |
| C5 | C6 | H3 | H4 | 120.0° | 120.1° |
| C5 | C6 | H3 | H5 | 120.0° | 119.9° |
| C5 | C6 | H4 | H5 | 120.0° | 119.9° |
| C6 | C5 | C7 | H6 | 0.1° | 0.1° |
| H2 | C4 | C3 | H12 | 0.1° | 0.3° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H7 | C10 | N2 | H13 | 60.0° | 64.0° |
| H7 | C10 | N2 | H14 | 60.0° | 59.9° |
| H8 | C10 | N2 | H13 | 60.0° | 176.0° |
| H8 | C10 | N2 | H14 | 180.0° | 60.1° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
