RJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.54Å | 1.51Å | |
| C06 | N05 | sing | 1.47Å | 1.45Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C02 | C01 | doub | 1.33Å | 1.31Å | |
| C02 | C03 | sing | 1.47Å | 1.52Å | |
| N05 | C03 | sing | 1.35Å | 1.45Å | |
| N05 | C13 | sing | 1.40Å | 1.48Å | |
| C03 | O04 | doub | 1.22Å | 1.19Å | |
| C08 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | N05 | 106.8° | 105.2° |
| C06 | C07 | C08 | 106.6° | 104.6° |
| C07 | C06 | H061 | 110.2° | 110.3° |
| C07 | C06 | H062 | 110.1° | 110.3° |
| C06 | C07 | H072 | 110.2° | 110.4° |
| C06 | C07 | H071 | 110.2° | 110.5° |
| C06 | N05 | C03 | 125.3° | 125.0° |
| C06 | N05 | C13 | 108.2° | 110.0° |
| N05 | C06 | H061 | 110.2° | 110.3° |
| N05 | C06 | H062 | 110.1° | 110.3° |
| C07 | C08 | C13 | 107.5° | 108.5° |
| C07 | C08 | C09 | 130.1° | 131.0° |
| C08 | C07 | H072 | 110.2° | 110.4° |
| C08 | C07 | H071 | 110.2° | 110.4° |
| C01 | C02 | C03 | 118.4° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | 120.0° | 120.1° |
| C01 | C02 | H021 | 120.8° | 120.0° |
| C02 | C03 | N05 | 120.2° | 120.0° |
| C02 | C03 | O04 | 119.8° | 120.0° |
| C03 | C02 | H021 | 120.8° | 119.9° |
| C03 | N05 | C13 | 126.5° | 125.0° |
| N05 | C03 | O04 | 120.0° | 120.0° |
| N05 | C13 | C08 | 110.7° | 111.7° |
| N05 | C13 | C12 | 130.6° | 129.3° |
| C13 | C08 | C09 | 122.4° | 120.5° |
| C08 | C13 | C12 | 118.7° | 119.0° |
| C08 | C09 | C10 | 118.7° | 120.1° |
| C08 | C09 | H091 | 120.7° | 119.9° |
| C13 | C12 | C11 | 119.2° | 120.3° |
| C13 | C12 | H121 | 120.4° | 119.9° |
| C09 | C10 | C11 | 119.3° | 119.8° |
| C10 | C09 | H091 | 120.7° | 120.0° |
| C09 | C10 | H101 | 120.3° | 120.1° |
| C12 | C11 | C10 | 121.7° | 120.3° |
| C12 | C11 | H111 | 119.1° | 119.9° |
| C11 | C12 | H121 | 120.4° | 119.9° |
| C11 | C10 | H101 | 120.4° | 120.1° |
| C10 | C11 | H111 | 119.2° | 119.8° |
| H011 | C01 | H012 | 120.0° | 120.0° |
| H061 | C06 | H062 | 109.5° | 110.3° |
| H072 | C07 | H071 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | N05 | H061 | 119.6° | 118.9° |
| C07 | C06 | N05 | H062 | 119.5° | 119.0° |
| C06 | C07 | C08 | H072 | 119.6° | 118.8° |
| C06 | C07 | C08 | H071 | 119.6° | 118.8° |
| C07 | C06 | N05 | C03 | 173.4° | 180.0° |
| C07 | C06 | N05 | C13 | 5.8° | 0.0° |
| C06 | C07 | C08 | C13 | 3.3° | 0.0° |
| C06 | C07 | C08 | C09 | 177.0° | 180.0° |
| C07 | C06 | H061 | H062 | 121.2° | 122.1° |
| C06 | C07 | H072 | H071 | 121.4° | 122.5° |
| N05 | C06 | C07 | C08 | 5.6° | 0.0° |
| C06 | N05 | C03 | C02 | 0.6° | 5.0° |
| C06 | N05 | C03 | C13 | 179.0° | 180.0° |
| C06 | N05 | C03 | O04 | 179.4° | 175.0° |
| C06 | N05 | C13 | C08 | 3.8° | 0.0° |
| C06 | N05 | C13 | C12 | 177.3° | 180.0° |
| N05 | C06 | H061 | H062 | 121.3° | 122.1° |
| N05 | C06 | C07 | H072 | 114.0° | 118.8° |
| N05 | C06 | C07 | H071 | 125.1° | 118.8° |
| C07 | C08 | C13 | N05 | 0.2° | 0.0° |
| C07 | C08 | C13 | C09 | 179.8° | 179.9° |
| C07 | C08 | C13 | C12 | 179.2° | 180.0° |
| C07 | C08 | C09 | C10 | 179.2° | 179.9° |
| C08 | C07 | C06 | H061 | 114.0° | 118.9° |
| C08 | C07 | C06 | H062 | 125.1° | 119.0° |
| C08 | C07 | H072 | H071 | 121.3° | 122.4° |
| C07 | C08 | C09 | H091 | 0.7° | 0.1° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | N05 | 116.9° | 175.0° |
| C01 | C02 | C03 | O04 | 63.1° | 5.0° |
| C02 | C01 | H011 | H012 | 180.0° | 179.7° |
| C02 | C03 | N05 | O04 | 180.0° | 180.0° |
| C02 | C03 | N05 | C13 | 179.6° | 175.0° |
| C03 | C02 | C01 | H011 | 0.0° | 0.0° |
| C03 | C02 | C01 | H012 | 180.0° | 179.7° |
| C03 | N05 | C13 | C08 | 175.3° | 180.0° |
| C03 | N05 | C13 | C12 | 3.5° | 0.0° |
| N05 | C03 | C02 | H021 | 63.2° | 5.0° |
| C03 | N05 | C06 | H061 | 67.0° | 61.1° |
| C03 | N05 | C06 | H062 | 53.8° | 61.0° |
| C13 | N05 | C03 | O04 | 0.4° | 5.1° |
| N05 | C13 | C08 | C12 | 179.0° | 179.9° |
| N05 | C13 | C08 | C09 | 179.5° | 180.0° |
| N05 | C13 | C12 | C11 | 179.4° | 180.0° |
| C13 | N05 | C06 | H061 | 113.8° | 118.9° |
| C13 | N05 | C06 | H062 | 125.3° | 119.0° |
| N05 | C13 | C12 | H121 | 0.6° | 0.1° |
| O04 | C03 | C02 | H021 | 116.8° | 175.0° |
| C13 | C08 | C09 | C10 | 0.5° | 0.0° |
| C08 | C13 | C12 | C11 | 0.7° | 0.1° |
| C13 | C08 | C07 | H072 | 116.3° | 118.7° |
| C13 | C08 | C07 | H071 | 122.9° | 118.8° |
| C13 | C08 | C09 | H091 | 179.6° | 180.0° |
| C08 | C13 | C12 | H121 | 179.3° | 180.0° |
| C09 | C08 | C13 | C12 | 0.6° | 0.1° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.5° | 0.0° |
| C09 | C08 | C07 | H072 | 63.5° | 61.2° |
| C09 | C08 | C07 | H071 | 57.4° | 61.2° |
| C08 | C09 | C10 | H101 | 179.5° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.7° | 0.0° |
| C13 | C12 | C11 | H111 | 179.3° | 179.9° |
| C09 | C10 | C11 | C12 | 0.6° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 180.0° |
| C09 | C10 | C11 | H111 | 179.4° | 180.0° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | H101 | 179.4° | 180.0° |
| C11 | C10 | C09 | H091 | 179.6° | 180.0° |
| C10 | C11 | C12 | H121 | 179.3° | 179.9° |
| H011 | C01 | C02 | H021 | 180.0° | 180.0° |
| H012 | C01 | C02 | H021 | 0.0° | 0.3° |
| H061 | C06 | C07 | H072 | 126.4° | 122.3° |
| H061 | C06 | C07 | H071 | 5.5° | 0.1° |
| H062 | C06 | C07 | H072 | 5.6° | 0.2° |
| H062 | C06 | C07 | H071 | 115.3° | 122.3° |
| H091 | C09 | C10 | H101 | 0.4° | 0.0° |
| H101 | C10 | C11 | H111 | 0.6° | 0.0° |
| H111 | C11 | C12 | H121 | 0.8° | 0.0° |
