DA9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N2 | doub | 1.12Å | 1.17Å | |
| N1 | N10 | doub | 1.12Å | 1.16Å | |
| N2 | C3 | sing | 1.47Å | 1.39Å | |
| C3 | C4 | sing | 1.51Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | O5 | doub | 1.21Å | 1.22Å | |
| C4 | N6 | sing | 1.35Å | 1.30Å | |
| N6 | C7 | sing | 1.47Å | 1.40Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | S9 | sing | 1.81Å | 1.81Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| S9 | HS9 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | N10 | 179.3° | 179.9° |
| N1 | N2 | C3 | 123.9° | 120.0° |
| N2 | C3 | C4 | 109.4° | 109.4° |
| N2 | C3 | H3 | 109.5° | 109.5° |
| N2 | C3 | H3A | 109.5° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.4° |
| C4 | C3 | H3A | 109.5° | 109.5° |
| C3 | C4 | O5 | 120.2° | 120.0° |
| C3 | C4 | N6 | 122.1° | 120.0° |
| H3 | C3 | H3A | 109.4° | 109.5° |
| O5 | C4 | N6 | 117.6° | 120.0° |
| C4 | N6 | C7 | 123.8° | 120.0° |
| C4 | N6 | HN6 | 118.1° | 120.0° |
| C7 | N6 | HN6 | 118.1° | 119.9° |
| N6 | C7 | C8 | 110.6° | 109.5° |
| N6 | C7 | H7 | 109.1° | 109.5° |
| N6 | C7 | H7A | 109.1° | 109.4° |
| C8 | C7 | H7 | 109.1° | 109.5° |
| C8 | C7 | H7A | 109.1° | 109.5° |
| C7 | C8 | S9 | 111.5° | 109.5° |
| C7 | C8 | H8 | 108.8° | 109.5° |
| C7 | C8 | H8A | 108.8° | 109.5° |
| H7 | C7 | H7A | 109.8° | 109.5° |
| S9 | C8 | H8 | 108.8° | 109.5° |
| S9 | C8 | H8A | 108.8° | 109.4° |
| C8 | S9 | HS9 | 102.0° | 103.0° |
| H8 | C8 | H8A | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | C3 | C4 | 122.0° | 120.0° |
| N1 | N2 | C3 | H3 | 118.1° | 120.0° |
| N1 | N2 | C3 | H3A | 1.9° | 0.1° |
| N10 | N1 | N2 | C3 | 176.2° | 135.0° |
| N2 | C3 | C4 | H3 | 120.0° | 120.0° |
| N2 | C3 | C4 | H3A | 120.0° | 120.0° |
| N2 | C3 | H3 | H3A | 120.0° | 120.0° |
| N2 | C3 | C4 | O5 | 107.0° | 0.0° |
| N2 | C3 | C4 | N6 | 69.7° | 180.0° |
| C4 | C3 | H3 | H3A | 120.0° | 120.0° |
| C3 | C4 | O5 | N6 | 176.9° | 179.9° |
| C3 | C4 | N6 | C7 | 75.9° | 180.0° |
| C3 | C4 | N6 | HN6 | 104.1° | 0.0° |
| H3 | C3 | C4 | O5 | 13.0° | 120.0° |
| H3 | C3 | C4 | N6 | 170.3° | 60.1° |
| H3A | C3 | C4 | O5 | 133.0° | 119.9° |
| H3A | C3 | C4 | N6 | 50.3° | 60.0° |
| O5 | C4 | N6 | C7 | 107.2° | 0.0° |
| O5 | C4 | N6 | HN6 | 72.8° | 180.0° |
| C4 | N6 | C7 | HN6 | 180.0° | 180.0° |
| C4 | N6 | C7 | C8 | 174.6° | 180.0° |
| C4 | N6 | C7 | H7 | 65.4° | 60.0° |
| C4 | N6 | C7 | H7A | 54.5° | 60.0° |
| N6 | C7 | C8 | H7 | 120.0° | 120.0° |
| N6 | C7 | C8 | H7A | 120.0° | 120.0° |
| N6 | C7 | H7 | H7A | 119.5° | 119.9° |
| N6 | C7 | C8 | S9 | 177.3° | 180.0° |
| N6 | C7 | C8 | H8 | 62.7° | 60.0° |
| N6 | C7 | C8 | H8A | 57.3° | 60.1° |
| HN6 | N6 | C7 | C8 | 5.4° | 0.0° |
| HN6 | N6 | C7 | H7 | 114.6° | 120.0° |
| HN6 | N6 | C7 | H7A | 125.4° | 120.0° |
| C8 | C7 | H7 | H7A | 119.5° | 120.0° |
| C7 | C8 | S9 | H8 | 120.0° | 120.0° |
| C7 | C8 | S9 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 119.2° | 120.0° |
| C7 | C8 | S9 | HS9 | 180.0° | 180.0° |
| H7 | C7 | C8 | S9 | 57.3° | 60.0° |
| H7 | C7 | C8 | H8 | 177.3° | 180.0° |
| H7 | C7 | C8 | H8A | 62.7° | 60.0° |
| H7A | C7 | C8 | S9 | 62.7° | 60.0° |
| H7A | C7 | C8 | H8 | 57.3° | 60.0° |
| H7A | C7 | C8 | H8A | 177.3° | 180.0° |
| S9 | C8 | H8 | H8A | 119.2° | 120.0° |
| H8 | C8 | S9 | HS9 | 60.0° | 60.0° |
| H8A | C8 | S9 | HS9 | 60.0° | 60.0° |
