0VZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O13 | sing | 1.45Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O13 | C11 | sing | 1.34Å | 1.32Å | |
| C11 | C5 | sing | 1.51Å | 1.54Å | |
| C11 | O12 | doub | 1.21Å | 1.21Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N4 | sing | 1.45Å | 1.46Å | |
| C6 | S1 | sing | 1.82Å | 1.82Å | |
| N4 | C2 | sing | 1.36Å | 1.39Å | |
| S1 | C2 | sing | 1.77Å | 1.76Å | |
| C2 | N3 | doub | 1.30Å | 1.30Å | |
| N3 | S7 | sing | 1.66Å | 1.64Å | |
| N8 | S7 | sing | 1.66Å | 1.57Å | |
| O9 | S7 | doub | 1.42Å | 1.44Å | |
| S7 | O10 | doub | 1.42Å | 1.45Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N8 | H10 | sing | 0.97Å | 1.00Å | |
| N8 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C14 | C15 | 111.4° | 109.5° |
| C14 | O13 | C11 | 114.6° | 117.1° |
| O13 | C14 | H1 | 109.0° | 109.4° |
| O13 | C14 | H2 | 109.0° | 109.4° |
| C15 | C14 | H1 | 109.0° | 109.5° |
| C15 | C14 | H2 | 109.0° | 109.5° |
| C14 | C15 | H3 | 109.5° | 109.5° |
| C14 | C15 | H4 | 109.5° | 109.4° |
| C14 | C15 | H5 | 109.4° | 109.4° |
| O13 | C11 | C5 | 110.4° | 120.0° |
| O13 | C11 | O12 | 125.1° | 120.0° |
| C5 | C11 | O12 | 124.5° | 120.0° |
| C11 | C5 | C6 | 116.0° | 109.0° |
| C11 | C5 | N4 | 107.4° | 108.9° |
| C11 | C5 | H7 | 108.6° | 109.0° |
| C6 | C5 | N4 | 106.1° | 112.0° |
| C5 | C6 | S1 | 104.6° | 104.4° |
| C6 | C5 | H7 | 108.9° | 109.0° |
| C5 | C6 | H8 | 110.7° | 110.5° |
| C5 | C6 | H9 | 110.7° | 110.4° |
| C5 | N4 | C2 | 113.4° | 118.1° |
| C5 | N4 | H6 | 123.3° | 120.9° |
| N4 | C5 | H7 | 109.7° | 108.9° |
| C6 | S1 | C2 | 91.2° | 96.2° |
| S1 | C6 | H8 | 110.7° | 110.4° |
| S1 | C6 | H9 | 110.7° | 110.4° |
| N4 | C2 | S1 | 111.6° | 109.3° |
| N4 | C2 | N3 | 118.0° | 125.3° |
| C2 | N4 | H6 | 123.3° | 121.0° |
| S1 | C2 | N3 | 130.4° | 125.4° |
| C2 | N3 | S7 | 121.4° | 120.0° |
| N3 | S7 | N8 | 103.7° | 107.2° |
| N3 | S7 | O9 | 112.1° | 106.4° |
| N3 | S7 | O10 | 104.1° | 106.4° |
| N8 | S7 | O9 | 108.8° | 106.4° |
| N8 | S7 | O10 | 111.8° | 106.4° |
| S7 | N8 | H10 | 109.5° | 120.0° |
| S7 | N8 | H11 | 109.4° | 120.1° |
| O9 | S7 | O10 | 115.6° | 123.2° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.4° | 110.5° |
| H10 | N8 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C14 | C15 | H1 | 120.3° | 120.0° |
| O13 | C14 | C15 | H2 | 120.3° | 119.9° |
| C14 | O13 | C11 | C5 | 178.5° | 180.0° |
| C14 | O13 | C11 | O12 | 1.0° | 0.1° |
| O13 | C14 | H1 | H2 | 119.1° | 119.9° |
| O13 | C14 | C15 | H3 | 180.0° | 180.0° |
| O13 | C14 | C15 | H4 | 60.0° | 60.0° |
| O13 | C14 | C15 | H5 | 60.0° | 60.0° |
| C15 | C14 | O13 | C11 | 87.5° | 180.0° |
| C15 | C14 | H1 | H2 | 119.1° | 120.0° |
| C14 | C15 | H3 | H4 | 120.0° | 120.0° |
| C14 | C15 | H3 | H5 | 120.0° | 120.0° |
| C14 | C15 | H4 | H5 | 120.0° | 120.0° |
| O13 | C11 | C5 | O12 | 179.5° | 179.9° |
| O13 | C11 | C5 | C6 | 34.9° | 80.0° |
| O13 | C11 | C5 | N4 | 153.3° | 157.5° |
| C11 | O13 | C14 | H1 | 32.8° | 59.9° |
| C11 | O13 | C14 | H2 | 152.2° | 60.0° |
| O13 | C11 | C5 | H7 | 88.2° | 38.9° |
| C11 | C5 | C6 | N4 | 119.1° | 120.6° |
| C11 | C5 | C6 | H7 | 122.9° | 118.8° |
| C11 | C5 | N4 | H7 | 117.9° | 118.7° |
| C11 | C5 | C6 | S1 | 156.4° | 120.7° |
| C11 | C5 | N4 | C2 | 156.9° | 120.5° |
| C11 | C5 | N4 | H6 | 23.1° | 59.4° |
| C11 | C5 | C6 | H8 | 37.1° | 120.6° |
| C11 | C5 | C6 | H9 | 84.4° | 1.9° |
| O12 | C11 | C5 | C6 | 145.6° | 100.0° |
| O12 | C11 | C5 | N4 | 27.2° | 22.5° |
| O12 | C11 | C5 | H7 | 91.3° | 141.2° |
| C6 | C5 | N4 | H7 | 117.5° | 120.6° |
| C5 | C6 | S1 | H8 | 119.2° | 118.7° |
| C5 | C6 | S1 | H9 | 119.2° | 118.7° |
| C6 | C5 | N4 | C2 | 32.3° | 0.2° |
| C5 | C6 | S1 | C2 | 27.5° | 0.1° |
| C6 | C5 | N4 | H6 | 147.8° | 179.9° |
| C5 | C6 | H8 | H9 | 122.3° | 122.5° |
| N4 | C5 | C6 | S1 | 37.3° | 0.0° |
| C5 | N4 | C2 | H6 | 180.0° | 179.9° |
| C5 | N4 | C2 | S1 | 11.2° | 0.3° |
| C5 | N4 | C2 | N3 | 170.1° | 179.9° |
| N4 | C5 | C6 | H8 | 82.0° | 118.7° |
| N4 | C5 | C6 | H9 | 156.5° | 118.7° |
| C6 | S1 | C2 | N4 | 10.5° | 0.3° |
| C6 | S1 | C2 | N3 | 168.0° | 180.0° |
| S1 | C6 | C5 | H7 | 80.7° | 120.5° |
| S1 | C6 | H8 | H9 | 122.3° | 122.5° |
| N4 | C2 | S1 | N3 | 178.5° | 179.8° |
| N4 | C2 | N3 | S7 | 179.9° | 179.7° |
| C2 | N4 | C5 | H7 | 85.2° | 120.8° |
| S1 | C2 | N3 | S7 | 1.5° | 0.0° |
| S1 | C2 | N4 | H6 | 168.8° | 179.8° |
| C2 | S1 | C6 | H8 | 91.7° | 118.9° |
| C2 | S1 | C6 | H9 | 146.8° | 118.6° |
| C2 | N3 | S7 | N8 | 128.4° | 180.0° |
| C2 | N3 | S7 | O9 | 11.2° | 66.5° |
| C2 | N3 | S7 | O10 | 114.5° | 66.4° |
| N3 | C2 | N4 | H6 | 9.9° | 0.0° |
| N3 | S7 | N8 | O9 | 119.5° | 113.5° |
| N3 | S7 | N8 | O10 | 111.6° | 113.5° |
| N3 | S7 | O9 | O10 | 119.1° | 122.9° |
| N3 | S7 | N8 | H10 | 180.0° | 150.0° |
| N3 | S7 | N8 | H11 | 60.0° | 30.0° |
| N8 | S7 | O9 | O10 | 126.8° | 123.0° |
| S7 | N8 | H10 | H11 | 120.0° | 180.0° |
| O9 | S7 | N8 | H10 | 60.5° | 36.5° |
| O9 | S7 | N8 | H11 | 59.5° | 143.5° |
| O10 | S7 | N8 | H10 | 68.5° | 96.5° |
| O10 | S7 | N8 | H11 | 171.5° | 83.5° |
| H1 | C14 | C15 | H3 | 59.7° | 60.0° |
| H1 | C14 | C15 | H4 | 179.7° | 60.0° |
| H1 | C14 | C15 | H5 | 60.3° | 180.0° |
| H2 | C14 | C15 | H3 | 59.7° | 60.0° |
| H2 | C14 | C15 | H4 | 60.3° | 180.0° |
| H2 | C14 | C15 | H5 | 179.7° | 60.0° |
| H3 | C15 | H4 | H5 | 120.0° | 120.1° |
| H6 | N4 | C5 | H7 | 94.8° | 59.3° |
| H7 | C5 | C6 | H8 | 160.1° | 1.8° |
| H7 | C5 | C6 | H9 | 38.5° | 120.8° |
