4G6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CAE | sing | 1.47Å | 1.47Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| NAD | CAF | sing | 1.47Å | 1.47Å | |
| CAF | CAA | sing | 1.53Å | 1.53Å | |
| CAF | CAB | sing | 1.53Å | 1.53Å | |
| CAA | HAC | sing | 1.09Å | 1.10Å | |
| CAA | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAB | HAF | sing | 1.09Å | 1.10Å | |
| CAB | HAD | sing | 1.09Å | 1.10Å | |
| CAB | HAE | sing | 1.09Å | 1.10Å | |
| NAD | HAL | sing | 1.01Å | 1.00Å | |
| NAD | H1 | sing | 1.01Å | 1.00Å | |
| CAE | HAH | sing | 1.09Å | 1.10Å | |
| CAE | HAG | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CAE | CAF | 110.3° | 109.5° |
| N | CAE | HAH | 109.2° | 109.4° |
| N | CAE | HAG | 109.3° | 109.5° |
| CAE | N | H | 109.5° | 111.0° |
| CAE | N | H2 | 109.5° | 111.0° |
| CAE | CAF | NAD | 109.7° | 109.5° |
| CAE | CAF | CAA | 108.6° | 109.5° |
| CAE | CAF | CAB | 107.9° | 109.5° |
| CAF | CAE | HAH | 109.3° | 109.5° |
| CAF | CAE | HAG | 109.2° | 109.5° |
| NAD | CAF | CAA | 110.2° | 109.5° |
| NAD | CAF | CAB | 111.4° | 109.4° |
| CAF | NAD | HAL | 109.5° | 111.0° |
| CAF | NAD | H1 | 109.5° | 111.0° |
| CAA | CAF | CAB | 108.9° | 109.5° |
| CAF | CAA | HAC | 109.5° | 109.5° |
| CAF | CAA | HAB | 109.5° | 109.5° |
| CAF | CAA | HAA | 109.5° | 109.5° |
| CAF | CAB | HAF | 109.5° | 109.5° |
| CAF | CAB | HAD | 109.5° | 109.5° |
| CAF | CAB | HAE | 109.5° | 109.5° |
| HAC | CAA | HAB | 109.5° | 109.4° |
| HAC | CAA | HAA | 109.5° | 109.5° |
| HAB | CAA | HAA | 109.5° | 109.4° |
| HAF | CAB | HAD | 109.4° | 109.5° |
| HAF | CAB | HAE | 109.5° | 109.4° |
| HAD | CAB | HAE | 109.5° | 109.5° |
| HAL | NAD | H1 | 109.5° | 111.0° |
| HAH | CAE | HAG | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CAE | CAF | HAH | 120.1° | 120.0° |
| N | CAE | CAF | HAG | 120.1° | 120.0° |
| N | CAE | CAF | NAD | 48.6° | 60.0° |
| N | CAE | CAF | CAA | 169.1° | 60.0° |
| N | CAE | CAF | CAB | 72.9° | 180.0° |
| N | CAE | HAH | HAG | 119.6° | 120.0° |
| CAE | N | H | H2 | 120.0° | 124.0° |
| CAE | CAF | NAD | CAA | 119.6° | 120.0° |
| CAE | CAF | NAD | CAB | 119.4° | 120.0° |
| CAE | CAF | CAA | CAB | 117.3° | 120.0° |
| CAE | CAF | CAA | HAC | 180.0° | 60.0° |
| CAE | CAF | CAA | HAB | 60.0° | 60.0° |
| CAE | CAF | CAA | HAA | 60.0° | 180.0° |
| CAE | CAF | CAB | HAF | 180.0° | 180.0° |
| CAE | CAF | CAB | HAD | 60.0° | 60.0° |
| CAE | CAF | CAB | HAE | 60.0° | 60.0° |
| CAE | CAF | NAD | HAL | 180.0° | 64.0° |
| CAE | CAF | NAD | H1 | 60.0° | 60.0° |
| CAF | CAE | HAH | HAG | 119.6° | 120.0° |
| CAF | CAE | N | H | 180.0° | 56.0° |
| CAF | CAE | N | H2 | 60.0° | 180.0° |
| NAD | CAF | CAA | CAB | 122.5° | 120.0° |
| NAD | CAF | CAA | HAC | 59.8° | 180.0° |
| NAD | CAF | CAA | HAB | 60.2° | 60.0° |
| NAD | CAF | CAA | HAA | 179.8° | 60.0° |
| NAD | CAF | CAB | HAF | 59.6° | 60.0° |
| NAD | CAF | CAB | HAD | 179.6° | 60.0° |
| NAD | CAF | CAB | HAE | 60.4° | 180.0° |
| CAF | NAD | HAL | H1 | 120.0° | 123.9° |
| NAD | CAF | CAE | HAH | 71.5° | 180.0° |
| NAD | CAF | CAE | HAG | 168.7° | 60.0° |
| CAF | CAA | HAC | HAB | 120.0° | 120.0° |
| CAF | CAA | HAC | HAA | 120.0° | 120.1° |
| CAF | CAA | HAB | HAA | 120.0° | 120.0° |
| CAA | CAF | CAB | HAF | 62.2° | 59.9° |
| CAA | CAF | CAB | HAD | 57.8° | 180.0° |
| CAA | CAF | CAB | HAE | 177.8° | 60.0° |
| CAA | CAF | NAD | HAL | 60.4° | 56.1° |
| CAA | CAF | NAD | H1 | 179.6° | 180.0° |
| CAA | CAF | CAE | HAH | 49.0° | 60.0° |
| CAA | CAF | CAE | HAG | 70.8° | 180.0° |
| CAB | CAF | CAA | HAC | 62.7° | 60.1° |
| CAB | CAF | CAA | HAB | 177.3° | 180.0° |
| CAB | CAF | CAA | HAA | 57.3° | 60.0° |
| CAF | CAB | HAF | HAD | 120.0° | 120.0° |
| CAF | CAB | HAF | HAE | 120.0° | 120.0° |
| CAF | CAB | HAD | HAE | 120.0° | 120.0° |
| CAB | CAF | NAD | HAL | 60.6° | 176.0° |
| CAB | CAF | NAD | H1 | 59.4° | 60.0° |
| CAB | CAF | CAE | HAH | 166.9° | 60.1° |
| CAB | CAF | CAE | HAG | 47.2° | 60.0° |
| HAC | CAA | HAB | HAA | 120.0° | 120.0° |
| HAF | CAB | HAD | HAE | 120.0° | 120.0° |
| HAH | CAE | N | H | 59.9° | 64.0° |
| HAH | CAE | N | H2 | 60.1° | 60.0° |
| HAG | CAE | N | H | 59.9° | 176.0° |
| HAG | CAE | N | H2 | 179.9° | 60.0° |
