7RX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N08 | sing | 1.49Å | 1.55Å | |
| C07 | C06 | sing | 1.55Å | 1.57Å | |
| N08 | C04 | sing | 1.48Å | 1.34Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.54Å | 1.65Å | |
| O09 | C02 | doub | 1.21Å | 1.26Å | |
| OXY | C02 | sing | 1.34Å | 1.25Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | sing | 1.55Å | 1.33Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| N08 | H | sing | 1.01Å | 1.00Å | |
| OXY | HXY | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C07 | C06 | 103.6° | 103.2° |
| C07 | N08 | C04 | 101.7° | 105.8° |
| N08 | C07 | H8 | 110.9° | 110.7° |
| N08 | C07 | H9 | 110.9° | 110.7° |
| C07 | N08 | H | 111.4° | 111.0° |
| C07 | C06 | C05 | 105.7° | 102.9° |
| C07 | C06 | H6 | 110.4° | 110.7° |
| C07 | C06 | H7 | 110.4° | 110.8° |
| C06 | C07 | H8 | 110.9° | 110.6° |
| C06 | C07 | H9 | 110.9° | 110.7° |
| N08 | C04 | C03 | 115.6° | 109.9° |
| N08 | C04 | C05 | 105.7° | 107.0° |
| N08 | C04 | H3 | 110.6° | 110.1° |
| C04 | N08 | H | 111.4° | 110.9° |
| C03 | C04 | C05 | 110.0° | 109.9° |
| C04 | C03 | C02 | 115.6° | 109.5° |
| C04 | C03 | H1 | 107.9° | 109.5° |
| C04 | C03 | H2 | 107.9° | 109.5° |
| C03 | C04 | H3 | 107.9° | 109.9° |
| C04 | C05 | C06 | 107.3° | 105.2° |
| C05 | C04 | H3 | 106.6° | 109.9° |
| C04 | C05 | H4 | 110.0° | 110.3° |
| C04 | C05 | H5 | 110.0° | 110.3° |
| O09 | C02 | OXY | 119.3° | 120.0° |
| O09 | C02 | C03 | 120.6° | 120.0° |
| OXY | C02 | C03 | 120.1° | 120.0° |
| C02 | OXY | HXY | 109.5° | 117.0° |
| C02 | C03 | H1 | 107.9° | 109.4° |
| C02 | C03 | H2 | 107.9° | 109.5° |
| C06 | C05 | H4 | 110.0° | 110.3° |
| C06 | C05 | H5 | 110.0° | 110.3° |
| C05 | C06 | H6 | 110.4° | 110.8° |
| C05 | C06 | H7 | 110.4° | 110.7° |
| H1 | C03 | H2 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 110.3° |
| H6 | C06 | H7 | 109.5° | 110.6° |
| H8 | C07 | H9 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C07 | C06 | H8 | 119.1° | 118.4° |
| N08 | C07 | C06 | H9 | 119.1° | 118.5° |
| C07 | N08 | C04 | H | 118.7° | 120.5° |
| C07 | N08 | C04 | C03 | 158.5° | 144.7° |
| C07 | N08 | C04 | C05 | 36.7° | 25.3° |
| N08 | C07 | C06 | C05 | 25.5° | 37.4° |
| C07 | N08 | C04 | H3 | 78.4° | 94.1° |
| N08 | C07 | C06 | H6 | 93.9° | 155.8° |
| N08 | C07 | C06 | H7 | 144.9° | 81.0° |
| N08 | C07 | H8 | H9 | 122.7° | 123.1° |
| C06 | C07 | N08 | C04 | 39.6° | 39.2° |
| C07 | C06 | C05 | C04 | 4.0° | 22.0° |
| C07 | C06 | C05 | H6 | 119.4° | 118.4° |
| C07 | C06 | C05 | H7 | 119.4° | 118.5° |
| C07 | C06 | C05 | H4 | 115.7° | 97.0° |
| C07 | C06 | C05 | H5 | 123.7° | 140.9° |
| C07 | C06 | H6 | H7 | 121.7° | 123.3° |
| C06 | C07 | H8 | H9 | 122.7° | 123.1° |
| C06 | C07 | N08 | H | 158.4° | 159.6° |
| N08 | C04 | C03 | C05 | 119.6° | 117.6° |
| N08 | C04 | C03 | H3 | 124.5° | 121.3° |
| N08 | C04 | C05 | H3 | 117.8° | 119.6° |
| N08 | C04 | C03 | C02 | 43.2° | 67.4° |
| N08 | C04 | C05 | C06 | 22.5° | 1.2° |
| N08 | C04 | C03 | H1 | 77.7° | 172.6° |
| N08 | C04 | C03 | H2 | 164.1° | 52.5° |
| N08 | C04 | C05 | H4 | 142.1° | 120.1° |
| N08 | C04 | C05 | H5 | 97.2° | 117.8° |
| C04 | N08 | C07 | H8 | 158.7° | 79.2° |
| C04 | N08 | C07 | H9 | 79.4° | 157.7° |
| C03 | C04 | C05 | H3 | 116.8° | 121.1° |
| C04 | C03 | C02 | O09 | 51.0° | 0.2° |
| C04 | C03 | C02 | OXY | 129.9° | 180.0° |
| C04 | C03 | C02 | H1 | 120.9° | 120.0° |
| C04 | C03 | C02 | H2 | 120.9° | 120.0° |
| C03 | C04 | C05 | C06 | 147.9° | 120.6° |
| C04 | C03 | H1 | H2 | 117.2° | 120.1° |
| C03 | C04 | C05 | H4 | 92.4° | 120.5° |
| C03 | C04 | C05 | H5 | 28.3° | 1.6° |
| C03 | C04 | N08 | H | 82.7° | 94.9° |
| C05 | C04 | C03 | C02 | 162.8° | 175.0° |
| C04 | C05 | C06 | H4 | 119.6° | 119.0° |
| C04 | C05 | C06 | H5 | 119.7° | 119.0° |
| C05 | C04 | C03 | H1 | 41.9° | 55.0° |
| C05 | C04 | C03 | H2 | 76.4° | 65.0° |
| C04 | C05 | H4 | H5 | 121.0° | 122.1° |
| C04 | C05 | C06 | H6 | 115.4° | 140.3° |
| C04 | C05 | C06 | H7 | 123.4° | 96.5° |
| C05 | C04 | N08 | H | 155.4° | 145.8° |
| O09 | C02 | OXY | C03 | 179.1° | 179.8° |
| O09 | C02 | C03 | H1 | 69.9° | 119.7° |
| O09 | C02 | C03 | H2 | 171.9° | 120.2° |
| O09 | C02 | OXY | HXY | 0.0° | 0.2° |
| OXY | C02 | C03 | H1 | 109.2° | 60.0° |
| OXY | C02 | C03 | H2 | 9.0° | 60.0° |
| C02 | C03 | H1 | H2 | 117.2° | 120.0° |
| C02 | C03 | C04 | H3 | 81.3° | 53.9° |
| C03 | C02 | OXY | HXY | 179.1° | 180.0° |
| C06 | C05 | C04 | H3 | 95.3° | 118.4° |
| C06 | C05 | H4 | H5 | 121.0° | 122.1° |
| C05 | C06 | H6 | H7 | 121.7° | 123.2° |
| C05 | C06 | C07 | H8 | 144.5° | 81.0° |
| C05 | C06 | C07 | H9 | 93.6° | 155.9° |
| H1 | C03 | C04 | H3 | 157.8° | 66.0° |
| H2 | C03 | C04 | H3 | 39.6° | 173.9° |
| H3 | C04 | C05 | H4 | 24.4° | 0.6° |
| H3 | C04 | C05 | H5 | 145.0° | 122.7° |
| H3 | C04 | N08 | H | 40.4° | 26.3° |
| H4 | C05 | C06 | H6 | 124.9° | 21.4° |
| H4 | C05 | C06 | H7 | 3.7° | 144.5° |
| H5 | C05 | C06 | H6 | 4.2° | 100.7° |
| H5 | C05 | C06 | H7 | 116.9° | 22.4° |
| H6 | C06 | C07 | H8 | 25.1° | 37.4° |
| H6 | C06 | C07 | H9 | 147.0° | 85.7° |
| H7 | C06 | C07 | H8 | 96.1° | 160.6° |
| H7 | C06 | C07 | H9 | 25.8° | 37.5° |
| H8 | C07 | N08 | H | 82.6° | 41.3° |
| H9 | C07 | N08 | H | 39.3° | 81.9° |
