JFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N04 | C08 | sing | 1.47Å | 1.45Å | |
| C07 | O02 | sing | 1.43Å | 1.41Å | |
| O02 | C09 | sing | 1.43Å | 1.39Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C08 | C15 | sing | 1.53Å | 1.52Å | |
| C07 | H02 | sing | 1.09Å | 1.10Å | |
| C07 | H03 | sing | 1.09Å | 1.10Å | |
| C07 | H01 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| N04 | H1 | sing | 1.01Å | 1.00Å | |
| N04 | H042 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N04 | C08 | C09 | 110.5° | 109.5° |
| N04 | C08 | C15 | 105.8° | 109.5° |
| N04 | C08 | H081 | 111.2° | 109.5° |
| C08 | N04 | H1 | 109.5° | 111.0° |
| C08 | N04 | H042 | 109.5° | 111.0° |
| C07 | O02 | C09 | 111.2° | 114.0° |
| O02 | C07 | H02 | 109.5° | 109.5° |
| O02 | C07 | H03 | 109.4° | 109.5° |
| O02 | C07 | H01 | 109.5° | 109.5° |
| O02 | C09 | C08 | 117.1° | 109.5° |
| O02 | C09 | H091 | 107.5° | 109.4° |
| O02 | C09 | H092 | 107.5° | 109.5° |
| C09 | C08 | C15 | 109.0° | 109.5° |
| C09 | C08 | H081 | 110.1° | 109.5° |
| C08 | C09 | H091 | 107.5° | 109.4° |
| C08 | C09 | H092 | 107.5° | 109.5° |
| C15 | C08 | H081 | 110.1° | 109.4° |
| C08 | C15 | H151 | 109.5° | 109.4° |
| C08 | C15 | H152 | 109.5° | 109.5° |
| C08 | C15 | H153 | 109.5° | 109.5° |
| H02 | C07 | H03 | 109.5° | 109.4° |
| H02 | C07 | H01 | 109.5° | 109.4° |
| H03 | C07 | H01 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H1 | N04 | H042 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C08 | C09 | O02 | 70.5° | 65.0° |
| N04 | C08 | C09 | C15 | 115.9° | 120.0° |
| N04 | C08 | C09 | H081 | 123.2° | 120.0° |
| N04 | C08 | C15 | H081 | 120.3° | 119.9° |
| N04 | C08 | C09 | H091 | 168.4° | 55.0° |
| N04 | C08 | C09 | H092 | 50.5° | 175.0° |
| N04 | C08 | C15 | H151 | 180.0° | 60.0° |
| N04 | C08 | C15 | H152 | 60.0° | 59.9° |
| N04 | C08 | C15 | H153 | 60.0° | 180.0° |
| C08 | N04 | H1 | H042 | 120.0° | 124.0° |
| C07 | O02 | C09 | C08 | 165.4° | 180.0° |
| O02 | C07 | H02 | H03 | 120.0° | 120.0° |
| O02 | C07 | H02 | H01 | 120.0° | 120.1° |
| O02 | C07 | H03 | H01 | 120.0° | 120.1° |
| C07 | O02 | C09 | H091 | 73.5° | 60.1° |
| C07 | O02 | C09 | H092 | 44.3° | 60.0° |
| O02 | C09 | C08 | H091 | 121.1° | 119.9° |
| O02 | C09 | C08 | H092 | 121.1° | 120.0° |
| O02 | C09 | C08 | C15 | 173.5° | 175.0° |
| C09 | O02 | C07 | H02 | 180.0° | 60.0° |
| C09 | O02 | C07 | H03 | 60.0° | 59.9° |
| C09 | O02 | C07 | H01 | 60.0° | 180.0° |
| O02 | C09 | C08 | H081 | 52.7° | 55.1° |
| O02 | C09 | H091 | H092 | 116.5° | 120.0° |
| C09 | C08 | C15 | H081 | 120.9° | 120.0° |
| C08 | C09 | H091 | H092 | 116.6° | 120.0° |
| C09 | C08 | C15 | H151 | 61.1° | 60.0° |
| C09 | C08 | C15 | H152 | 58.9° | 180.0° |
| C09 | C08 | C15 | H153 | 178.9° | 59.9° |
| C09 | C08 | N04 | H1 | 180.0° | 176.0° |
| C09 | C08 | N04 | H042 | 60.0° | 59.9° |
| C15 | C08 | C09 | H091 | 52.4° | 65.1° |
| C15 | C08 | C09 | H092 | 65.4° | 55.0° |
| C08 | C15 | H151 | H152 | 120.0° | 120.0° |
| C08 | C15 | H151 | H153 | 120.0° | 120.0° |
| C08 | C15 | H152 | H153 | 120.0° | 120.1° |
| C15 | C08 | N04 | H1 | 62.1° | 63.9° |
| C15 | C08 | N04 | H042 | 57.9° | 60.1° |
| H02 | C07 | H03 | H01 | 120.0° | 119.9° |
| H081 | C08 | C09 | H091 | 68.4° | 175.0° |
| H081 | C08 | C09 | H092 | 173.7° | 65.0° |
| H081 | C08 | C15 | H151 | 59.7° | 180.0° |
| H081 | C08 | C15 | H152 | 179.7° | 60.0° |
| H081 | C08 | C15 | H153 | 60.3° | 60.1° |
| H081 | C08 | N04 | H1 | 57.5° | 56.0° |
| H081 | C08 | N04 | H042 | 177.5° | 180.0° |
| H151 | C15 | H152 | H153 | 120.0° | 119.9° |
