N18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C7 | doub | 1.22Å | 1.24Å | |
| C7 | C6 | sing | 1.47Å | 1.43Å | |
| C7 | N1 | sing | 1.35Å | 1.38Å | |
| C6 | C5 | doub | 1.36Å | 1.36Å | |
| N1 | C8 | sing | 1.35Å | 1.37Å | |
| O2 | C4 | doub | 1.22Å | 1.23Å | |
| C5 | N2 | sing | 1.38Å | 1.37Å | |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| C8 | N2 | sing | 1.34Å | 1.37Å | |
| C8 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | N | sing | 1.35Å | 1.33Å | |
| O | C | sing | 1.45Å | 1.45Å | |
| O | C1 | sing | 1.34Å | 1.33Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| N | C3 | sing | 1.46Å | 1.45Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C7 | C6 | 125.5° | 120.6° |
| O3 | C7 | N1 | 119.0° | 120.6° |
| C6 | C7 | N1 | 115.5° | 118.9° |
| C7 | C6 | C5 | 119.5° | 118.4° |
| C7 | C6 | H9 | 120.2° | 120.8° |
| C7 | N1 | C8 | 125.8° | 120.4° |
| C7 | N1 | H10 | 117.1° | 119.8° |
| C6 | C5 | N2 | 121.1° | 119.4° |
| C6 | C5 | C4 | 123.0° | 120.2° |
| C5 | C6 | H9 | 120.2° | 120.8° |
| N1 | C8 | N2 | 115.7° | 121.7° |
| N1 | C8 | O4 | 122.3° | 119.1° |
| C8 | N1 | H10 | 117.1° | 119.8° |
| O2 | C4 | C5 | 121.2° | 120.0° |
| O2 | C4 | N | 122.8° | 120.0° |
| N2 | C5 | C4 | 116.0° | 120.3° |
| C5 | N2 | C8 | 122.4° | 121.2° |
| C5 | N2 | H11 | 118.8° | 119.4° |
| C5 | C4 | N | 116.0° | 120.0° |
| N2 | C8 | O4 | 122.0° | 119.1° |
| C8 | N2 | H11 | 118.8° | 119.4° |
| C4 | N | C3 | 122.5° | 120.0° |
| C4 | N | H1 | 118.8° | 120.0° |
| C | O | C1 | 116.5° | 117.0° |
| O | C | H2 | 109.5° | 109.4° |
| O | C | H3 | 109.5° | 109.5° |
| O | C | H4 | 109.5° | 109.5° |
| O | C1 | C2 | 111.0° | 120.0° |
| O | C1 | O1 | 123.9° | 120.0° |
| C1 | C2 | C3 | 113.6° | 109.5° |
| C2 | C1 | O1 | 125.1° | 120.0° |
| C1 | C2 | H5 | 108.4° | 109.5° |
| C1 | C2 | H6 | 108.4° | 109.4° |
| C2 | C3 | N | 112.4° | 109.5° |
| C3 | C2 | H5 | 108.4° | 109.5° |
| C3 | C2 | H6 | 108.4° | 109.4° |
| C2 | C3 | H7 | 108.7° | 109.4° |
| C2 | C3 | H8 | 108.7° | 109.5° |
| C3 | N | H1 | 118.8° | 120.0° |
| N | C3 | H7 | 108.7° | 109.5° |
| N | C3 | H8 | 108.7° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
| H2 | C | H4 | 109.4° | 109.4° |
| H3 | C | H4 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C7 | C6 | N1 | 179.1° | 179.9° |
| O3 | C7 | C6 | C5 | 178.2° | 180.0° |
| O3 | C7 | N1 | C8 | 179.3° | 180.0° |
| O3 | C7 | C6 | H9 | 1.8° | 0.0° |
| O3 | C7 | N1 | H10 | 0.7° | 0.1° |
| C7 | C6 | C5 | H9 | 180.0° | 180.0° |
| C6 | C7 | N1 | C8 | 0.2° | 0.0° |
| C7 | C6 | C5 | N2 | 0.8° | 0.0° |
| C7 | C6 | C5 | C4 | 179.6° | 179.7° |
| C6 | C7 | N1 | H10 | 179.8° | 180.0° |
| N1 | C7 | C6 | C5 | 0.9° | 0.0° |
| C7 | N1 | C8 | H10 | 180.0° | 180.0° |
| C7 | N1 | C8 | N2 | 1.2° | 0.0° |
| C7 | N1 | C8 | O4 | 175.9° | 180.0° |
| N1 | C7 | C6 | H9 | 179.1° | 180.0° |
| C6 | C5 | C4 | O2 | 9.2° | 179.7° |
| C6 | C5 | N2 | C4 | 179.6° | 179.7° |
| C6 | C5 | N2 | C8 | 0.3° | 0.0° |
| C6 | C5 | C4 | N | 169.8° | 0.3° |
| C6 | C5 | N2 | H11 | 179.8° | 179.7° |
| N1 | C8 | N2 | C5 | 1.2° | 0.0° |
| N1 | C8 | N2 | O4 | 177.1° | 180.0° |
| N1 | C8 | N2 | H11 | 178.8° | 179.7° |
| O2 | C4 | C5 | N2 | 171.2° | 0.1° |
| O2 | C4 | C5 | N | 179.0° | 179.9° |
| O2 | C4 | N | C3 | 10.2° | 0.1° |
| O2 | C4 | N | H1 | 169.8° | 179.7° |
| C5 | N2 | C8 | H11 | 180.0° | 179.8° |
| C5 | N2 | C8 | O4 | 175.9° | 180.0° |
| N2 | C5 | C4 | N | 9.8° | 180.0° |
| N2 | C5 | C6 | H9 | 179.1° | 180.0° |
| C4 | C5 | N2 | C8 | 179.3° | 179.7° |
| C5 | C4 | N | C3 | 168.8° | 180.0° |
| C5 | C4 | N | H1 | 11.3° | 0.2° |
| C4 | C5 | C6 | H9 | 0.4° | 0.3° |
| C4 | C5 | N2 | H11 | 0.7° | 0.0° |
| N2 | C8 | N1 | H10 | 178.8° | 180.0° |
| O4 | C8 | N1 | H10 | 4.1° | 0.0° |
| O4 | C8 | N2 | H11 | 4.1° | 0.2° |
| C4 | N | C3 | C2 | 107.4° | 179.7° |
| C4 | N | C3 | H1 | 180.0° | 179.8° |
| C4 | N | C3 | H7 | 132.1° | 59.7° |
| C4 | N | C3 | H8 | 13.0° | 60.2° |
| C | O | C1 | C2 | 175.9° | 180.0° |
| C | O | C1 | O1 | 3.5° | 0.0° |
| O | C | H2 | H3 | 120.0° | 120.0° |
| O | C | H2 | H4 | 120.0° | 119.9° |
| O | C | H3 | H4 | 120.0° | 120.0° |
| O | C1 | C2 | O1 | 179.3° | 180.0° |
| O | C1 | C2 | C3 | 160.0° | 180.0° |
| C1 | O | C | H2 | 180.0° | 59.9° |
| C1 | O | C | H3 | 60.0° | 180.0° |
| C1 | O | C | H4 | 60.0° | 60.0° |
| O | C1 | C2 | H5 | 39.4° | 60.0° |
| O | C1 | C2 | H6 | 79.4° | 60.0° |
| C1 | C2 | C3 | H5 | 120.6° | 120.1° |
| C1 | C2 | C3 | H6 | 120.6° | 119.9° |
| C1 | C2 | C3 | N | 68.1° | 180.0° |
| C1 | C2 | H5 | H6 | 118.1° | 120.0° |
| C1 | C2 | C3 | H7 | 52.3° | 60.0° |
| C1 | C2 | C3 | H8 | 171.4° | 59.9° |
| C2 | C3 | N | H7 | 120.5° | 120.0° |
| C2 | C3 | N | H8 | 120.5° | 120.1° |
| C3 | C2 | C1 | O1 | 20.7° | 0.1° |
| C2 | C3 | N | H1 | 72.6° | 0.1° |
| C3 | C2 | H5 | H6 | 118.1° | 119.9° |
| C2 | C3 | H7 | H8 | 118.6° | 119.9° |
| N | C3 | C2 | H5 | 171.3° | 59.9° |
| N | C3 | C2 | H6 | 52.5° | 60.1° |
| N | C3 | H7 | H8 | 118.6° | 120.0° |
| O1 | C1 | C2 | H5 | 141.3° | 120.0° |
| O1 | C1 | C2 | H6 | 99.9° | 120.0° |
| H1 | N | C3 | H7 | 47.9° | 120.0° |
| H1 | N | C3 | H8 | 167.0° | 120.0° |
| H2 | C | H3 | H4 | 120.0° | 120.0° |
| H5 | C2 | C3 | H7 | 68.3° | 60.1° |
| H5 | C2 | C3 | H8 | 50.8° | 180.0° |
| H6 | C2 | C3 | H7 | 172.9° | 179.9° |
| H6 | C2 | C3 | H8 | 68.0° | 60.0° |
