N6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N1 | doub | 1.22Å | 1.23Å | |
| N1 | O2 | sing | 1.22Å | 1.23Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N1 | O2 | 118.4° | 120.0° |
| O1 | N1 | C1 | 118.3° | 120.0° |
| O2 | N1 | C1 | 123.3° | 120.0° |
| N1 | C1 | C2 | 113.1° | 109.4° |
| N1 | C1 | H1 | 108.3° | 109.4° |
| N1 | C1 | H1A | 107.5° | 109.5° |
| C1 | C2 | C3 | 111.8° | 109.4° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C2 | C1 | H1A | 107.5° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C1 | C2 | H2A | 108.2° | 109.5° |
| C2 | C3 | C4 | 112.8° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.4° |
| C3 | C2 | H2A | 108.2° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.4° |
| C2 | C3 | H3A | 107.6° | 109.5° |
| C3 | C4 | C5 | 111.6° | 109.5° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C4 | C3 | H3A | 107.6° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.4° |
| C3 | C4 | H4A | 108.3° | 109.4° |
| C4 | C5 | C6 | 122.3° | 109.5° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| C5 | C4 | H4A | 108.3° | 109.5° |
| C4 | C5 | H5 | 105.4° | 109.5° |
| C4 | C5 | H5A | 102.4° | 109.5° |
| C6 | C5 | H5 | 105.4° | 109.4° |
| C6 | C5 | H5A | 102.4° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| C5 | C6 | H6B | 109.5° | 109.5° |
| H1 | C1 | H1A | 112.3° | 109.5° |
| H2 | C2 | H2A | 111.3° | 109.5° |
| H3 | C3 | H3A | 112.1° | 109.5° |
| H4 | C4 | H4A | 111.1° | 109.5° |
| H5 | C5 | H5A | 120.2° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| H6 | C6 | H6B | 109.4° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N1 | O2 | C1 | 179.1° | 179.7° |
| O1 | N1 | C1 | C2 | 172.0° | 45.0° |
| O1 | N1 | C1 | H1 | 52.0° | 165.0° |
| O1 | N1 | C1 | H1A | 69.6° | 75.0° |
| O2 | N1 | C1 | C2 | 8.9° | 135.2° |
| O2 | N1 | C1 | H1 | 128.9° | 15.3° |
| O2 | N1 | C1 | H1A | 109.5° | 104.7° |
| N1 | C1 | C2 | H1 | 120.0° | 119.9° |
| N1 | C1 | C2 | H1A | 118.4° | 120.0° |
| N1 | C1 | C2 | C3 | 170.5° | 180.0° |
| N1 | C1 | H1 | H1A | 118.5° | 120.0° |
| N1 | C1 | C2 | H2 | 69.5° | 60.1° |
| N1 | C1 | C2 | H2A | 51.5° | 60.0° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 119.0° | 120.0° |
| C1 | C2 | C3 | C4 | 38.2° | 180.0° |
| C2 | C1 | H1 | H1A | 118.5° | 120.1° |
| C1 | C2 | H2 | H2A | 119.0° | 120.1° |
| C1 | C2 | C3 | H3 | 81.8° | 60.0° |
| C1 | C2 | C3 | H3A | 156.8° | 60.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 118.6° | 120.0° |
| C2 | C3 | C4 | C5 | 101.6° | 180.0° |
| C3 | C2 | C1 | H1 | 50.5° | 60.1° |
| C3 | C2 | C1 | H1A | 71.1° | 60.0° |
| C3 | C2 | H2 | H2A | 119.1° | 120.0° |
| C2 | C3 | H3 | H3A | 118.7° | 120.0° |
| C2 | C3 | C4 | H4 | 18.4° | 60.0° |
| C2 | C3 | C4 | H4A | 139.3° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 119.1° | 120.0° |
| C3 | C4 | C5 | C6 | 169.1° | 180.0° |
| C4 | C3 | C2 | H2 | 158.2° | 60.0° |
| C4 | C3 | C2 | H2A | 80.8° | 60.0° |
| C4 | C3 | H3 | H3A | 118.6° | 120.0° |
| C3 | C4 | H4 | H4A | 119.1° | 119.9° |
| C3 | C4 | C5 | H5 | 49.1° | 60.0° |
| C3 | C4 | C5 | H5A | 77.4° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 113.5° | 120.0° |
| C5 | C4 | C3 | H3 | 138.4° | 60.0° |
| C5 | C4 | C3 | H3A | 17.0° | 60.0° |
| C5 | C4 | H4 | H4A | 119.1° | 120.1° |
| C4 | C5 | H5 | H5A | 114.7° | 120.1° |
| C4 | C5 | C6 | H6 | 145.9° | 60.0° |
| C4 | C5 | C6 | H6A | 94.1° | 60.0° |
| C4 | C5 | C6 | H6B | 25.9° | 179.9° |
| C6 | C5 | C4 | H4 | 70.9° | 60.0° |
| C6 | C5 | C4 | H4A | 50.0° | 60.0° |
| C6 | C5 | H5 | H5A | 114.7° | 119.9° |
| C5 | C6 | H6 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6B | 120.0° | 120.0° |
| C5 | C6 | H6A | H6B | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 170.5° | 180.0° |
| H1 | C1 | C2 | H2A | 68.5° | 59.9° |
| H1A | C1 | C2 | H2 | 48.9° | 59.9° |
| H1A | C1 | C2 | H2A | 169.9° | 180.0° |
| H2 | C2 | C3 | H3 | 38.2° | 180.0° |
| H2 | C2 | C3 | H3A | 83.3° | 60.0° |
| H2A | C2 | C3 | H3 | 159.3° | 60.0° |
| H2A | C2 | C3 | H3A | 37.8° | 180.0° |
| H3 | C3 | C4 | H4 | 101.6° | 180.0° |
| H3 | C3 | C4 | H4A | 19.3° | 60.0° |
| H3A | C3 | C4 | H4 | 137.0° | 60.0° |
| H3A | C3 | C4 | H4A | 102.1° | 180.0° |
| H4 | C4 | C5 | H5 | 169.1° | 180.0° |
| H4 | C4 | C5 | H5A | 42.6° | 60.0° |
| H4A | C4 | C5 | H5 | 70.0° | 60.0° |
| H4A | C4 | C5 | H5A | 163.5° | 180.0° |
| H5 | C5 | C6 | H6 | 25.9° | 180.0° |
| H5 | C5 | C6 | H6A | 145.9° | 60.0° |
| H5 | C5 | C6 | H6B | 94.1° | 60.0° |
| H5A | C5 | C6 | H6 | 100.6° | 60.0° |
| H5A | C5 | C6 | H6A | 19.4° | 180.0° |
| H5A | C5 | C6 | H6B | 139.4° | 59.9° |
| H6 | C6 | H6A | H6B | 120.0° | 119.9° |
