0VY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.55Å | 1.49Å | |
| C6 | C5 | sing | 1.55Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.48Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C2 | sing | 1.37Å | 1.37Å | |
| C2 | N4 | sing | 1.37Å | 1.37Å | |
| C2 | N3 | doub | 1.30Å | 1.31Å | |
| N3 | S9 | sing | 1.66Å | 1.63Å | |
| N10 | S9 | sing | 1.66Å | 1.60Å | |
| S9 | O11 | doub | 1.42Å | 1.46Å | |
| S9 | O12 | doub | 1.42Å | 1.44Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| N10 | H8 | sing | 0.97Å | 1.00Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 109.1° | 101.6° |
| C6 | C7 | C8 | 108.7° | 103.0° |
| C6 | C7 | H1 | 109.7° | 110.7° |
| C7 | C6 | H6 | 109.6° | 111.0° |
| C6 | C7 | H9 | 109.7° | 110.9° |
| C7 | C6 | H12 | 109.6° | 111.0° |
| C6 | C5 | N1 | 102.5° | 104.8° |
| C6 | C5 | H5 | 111.2° | 110.4° |
| C5 | C6 | H6 | 109.5° | 111.0° |
| C6 | C5 | H11 | 111.2° | 110.4° |
| C5 | C6 | H12 | 109.6° | 111.0° |
| C7 | C8 | N1 | 104.9° | 107.3° |
| C8 | C7 | H1 | 109.7° | 110.7° |
| C7 | C8 | H2 | 110.6° | 109.9° |
| C8 | C7 | H9 | 109.6° | 110.7° |
| C7 | C8 | H10 | 110.6° | 109.9° |
| C5 | N1 | C8 | 114.8° | 108.7° |
| C5 | N1 | C2 | 124.4° | 125.6° |
| N1 | C5 | H5 | 111.2° | 110.4° |
| N1 | C5 | H11 | 111.2° | 110.4° |
| C8 | N1 | C2 | 120.6° | 125.6° |
| N1 | C8 | H2 | 110.6° | 109.8° |
| N1 | C8 | H10 | 110.6° | 109.9° |
| N1 | C2 | N4 | 117.3° | 120.0° |
| N1 | C2 | N3 | 116.8° | 120.0° |
| N4 | C2 | N3 | 125.9° | 120.0° |
| C2 | N4 | H4 | 120.0° | 120.0° |
| C2 | N4 | H3 | 120.0° | 119.9° |
| C2 | N3 | S9 | 119.9° | 120.0° |
| N3 | S9 | N10 | 109.1° | 107.2° |
| N3 | S9 | O11 | 103.4° | 106.4° |
| N3 | S9 | O12 | 108.9° | 106.4° |
| N10 | S9 | O11 | 110.8° | 106.4° |
| N10 | S9 | O12 | 109.4° | 106.4° |
| S9 | N10 | H7 | 109.5° | 120.0° |
| S9 | N10 | H8 | 109.5° | 120.0° |
| O11 | S9 | O12 | 114.8° | 123.2° |
| H1 | C7 | H9 | 109.5° | 110.6° |
| H2 | C8 | H10 | 109.5° | 110.0° |
| H4 | N4 | H3 | 120.0° | 120.0° |
| H5 | C5 | H11 | 109.5° | 110.3° |
| H6 | C6 | H12 | 109.5° | 110.9° |
| H7 | N10 | H8 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H6 | 119.9° | 118.1° |
| C7 | C6 | C5 | H12 | 120.0° | 118.0° |
| C6 | C7 | C8 | H1 | 119.9° | 118.4° |
| C6 | C7 | C8 | H9 | 119.9° | 118.5° |
| C7 | C6 | C5 | N1 | 2.0° | 37.0° |
| C6 | C7 | C8 | N1 | 0.9° | 22.1° |
| C6 | C7 | H1 | H9 | 120.4° | 123.3° |
| C6 | C7 | C8 | H2 | 118.3° | 97.2° |
| C7 | C6 | C5 | H5 | 116.9° | 155.9° |
| C7 | C6 | H6 | H12 | 120.2° | 123.9° |
| C6 | C7 | C8 | H10 | 120.2° | 141.6° |
| C7 | C6 | C5 | H11 | 120.9° | 81.9° |
| C5 | C6 | C7 | C8 | 1.9° | 35.5° |
| C6 | C5 | N1 | H5 | 118.9° | 118.9° |
| C6 | C5 | N1 | H11 | 118.9° | 118.9° |
| C6 | C5 | N1 | C8 | 1.5° | 24.1° |
| C6 | C5 | N1 | C2 | 173.2° | 155.9° |
| C5 | C6 | C7 | H1 | 121.8° | 82.9° |
| C6 | C5 | H5 | H11 | 123.3° | 122.3° |
| C5 | C6 | H6 | H12 | 120.2° | 123.9° |
| C5 | C6 | C7 | H9 | 118.0° | 153.9° |
| C7 | C8 | N1 | C5 | 0.4° | 1.1° |
| C7 | C8 | N1 | H2 | 119.2° | 119.4° |
| C7 | C8 | N1 | H10 | 119.3° | 119.5° |
| C7 | C8 | N1 | C2 | 174.5° | 178.9° |
| C8 | C7 | H1 | H9 | 120.3° | 123.1° |
| C7 | C8 | H2 | H10 | 122.2° | 121.2° |
| C8 | C7 | C6 | H6 | 121.8° | 153.6° |
| C8 | C7 | C6 | H12 | 118.1° | 82.6° |
| C5 | N1 | C8 | C2 | 174.9° | 180.0° |
| C5 | N1 | C2 | N4 | 2.4° | 180.0° |
| C5 | N1 | C2 | N3 | 177.3° | 0.3° |
| C5 | N1 | C8 | H2 | 119.6° | 120.5° |
| N1 | C5 | H5 | H11 | 123.2° | 122.3° |
| N1 | C5 | C6 | H6 | 121.9° | 155.1° |
| C5 | N1 | C8 | H10 | 118.9° | 118.4° |
| N1 | C5 | C6 | H12 | 118.0° | 81.1° |
| C8 | N1 | C2 | N4 | 176.8° | 0.0° |
| C8 | N1 | C2 | N3 | 3.0° | 179.8° |
| N1 | C8 | C7 | H1 | 120.8° | 96.2° |
| N1 | C8 | H2 | H10 | 122.1° | 121.1° |
| C8 | N1 | C5 | H5 | 117.4° | 143.0° |
| N1 | C8 | C7 | H9 | 118.9° | 140.7° |
| C8 | N1 | C5 | H11 | 120.4° | 94.8° |
| N1 | C2 | N4 | N3 | 179.7° | 179.7° |
| N1 | C2 | N3 | S9 | 173.1° | 179.7° |
| C2 | N1 | C8 | H2 | 55.3° | 59.5° |
| N1 | C2 | N4 | H4 | 179.7° | 179.7° |
| C2 | N1 | C5 | H5 | 67.9° | 37.0° |
| C2 | N1 | C8 | H10 | 66.2° | 61.6° |
| N1 | C2 | N4 | H3 | 0.3° | 0.2° |
| C2 | N1 | C5 | H11 | 54.3° | 85.2° |
| N4 | C2 | N3 | S9 | 6.7° | 0.0° |
| C2 | N4 | H4 | H3 | 180.0° | 179.9° |
| C2 | N3 | S9 | N10 | 53.2° | 180.0° |
| C2 | N3 | S9 | O11 | 171.2° | 66.5° |
| C2 | N3 | S9 | O12 | 66.3° | 66.5° |
| N3 | C2 | N4 | H4 | 0.0° | 0.0° |
| N3 | C2 | N4 | H3 | 180.0° | 179.9° |
| N3 | S9 | N10 | O11 | 113.3° | 113.5° |
| N3 | S9 | N10 | O12 | 119.1° | 113.6° |
| N3 | S9 | O11 | O12 | 118.5° | 123.0° |
| N3 | S9 | N10 | H7 | 180.0° | 149.9° |
| N3 | S9 | N10 | H8 | 60.0° | 30.0° |
| N10 | S9 | O11 | O12 | 124.6° | 122.9° |
| S9 | N10 | H7 | H8 | 120.0° | 179.9° |
| O11 | S9 | N10 | H7 | 66.7° | 36.4° |
| O11 | S9 | N10 | H8 | 53.3° | 143.5° |
| O12 | S9 | N10 | H7 | 60.9° | 96.5° |
| O12 | S9 | N10 | H8 | 179.1° | 83.6° |
| H1 | C7 | C8 | H2 | 1.6° | 144.5° |
| H1 | C7 | C6 | H6 | 118.3° | 35.2° |
| H1 | C7 | C8 | H10 | 119.9° | 23.2° |
| H1 | C7 | C6 | H12 | 1.8° | 159.1° |
| H2 | C8 | C7 | H9 | 121.8° | 21.4° |
| H5 | C5 | C6 | H6 | 3.0° | 86.0° |
| H5 | C5 | C6 | H12 | 123.1° | 37.8° |
| H6 | C6 | C7 | H9 | 1.9° | 88.0° |
| H6 | C6 | C5 | H11 | 119.2° | 36.2° |
| H9 | C7 | C8 | H10 | 0.3° | 99.9° |
| H9 | C7 | C6 | H12 | 122.1° | 35.9° |
| H11 | C5 | C6 | H12 | 0.9° | 160.0° |
