V42
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S05 | doub | 1.42Å | 1.51Å | |
| C01 | N02 | sing | 1.46Å | 1.45Å | |
| C03 | N02 | sing | 1.35Å | 1.32Å | Aromatic |
| C03 | C04 | doub | 1.35Å | 1.37Å | Aromatic |
| O12 | N10 | sing | 1.22Å | 1.19Å | |
| N02 | N20 | sing | 1.40Å | 1.38Å | Aromatic |
| S05 | C04 | sing | 1.76Å | 1.82Å | |
| S05 | O07 | sing | 1.52Å | 1.66Å | |
| S05 | O06 | doub | 1.42Å | 1.51Å | |
| C04 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| O07 | C08 | sing | 1.36Å | 1.41Å | |
| N10 | O11 | doub | 1.22Å | 1.41Å | |
| N10 | C09 | sing | 1.48Å | 1.45Å | |
| N20 | C19 | doub | 1.31Å | 1.34Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | O1 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | S05 | C04 | 111.6° | 106.4° |
| O18 | S05 | O07 | 113.4° | 106.4° |
| O18 | S05 | O06 | 100.5° | 123.2° |
| C01 | N02 | C03 | 124.9° | 126.1° |
| C01 | N02 | N20 | 125.6° | 126.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C03 | C04 | 107.6° | 107.8° |
| C03 | N02 | N20 | 109.5° | 107.9° |
| N02 | C03 | H4 | 126.2° | 126.1° |
| C03 | C04 | S05 | 125.3° | 126.1° |
| C03 | C04 | C19 | 107.7° | 107.9° |
| C04 | C03 | H4 | 126.2° | 126.1° |
| O12 | N10 | O11 | 122.3° | 120.0° |
| O12 | N10 | C09 | 120.6° | 120.0° |
| N02 | N20 | C19 | 107.8° | 108.2° |
| C04 | S05 | O07 | 105.3° | 107.2° |
| C04 | S05 | O06 | 115.2° | 106.4° |
| S05 | C04 | C19 | 127.0° | 126.0° |
| O07 | S05 | O06 | 111.1° | 106.4° |
| S05 | O07 | C08 | 115.1° | 114.0° |
| C04 | C19 | N20 | 107.5° | 108.2° |
| C04 | C19 | H11 | 126.3° | 125.9° |
| O07 | C08 | C09 | 122.9° | 120.0° |
| O07 | C08 | C17 | 118.1° | 119.9° |
| O11 | N10 | C09 | 117.1° | 120.0° |
| N10 | C09 | C08 | 121.5° | 119.8° |
| N10 | C09 | C13 | 117.3° | 119.8° |
| N20 | C19 | H11 | 126.3° | 125.9° |
| C09 | C08 | C17 | 119.0° | 120.0° |
| C08 | C09 | C13 | 121.1° | 120.3° |
| C08 | C17 | C15 | 120.0° | 119.7° |
| C08 | C17 | H10 | 120.0° | 120.1° |
| C09 | C13 | C14 | 119.4° | 120.2° |
| C09 | C13 | H5 | 120.3° | 119.9° |
| C17 | C15 | C14 | 121.2° | 119.7° |
| C17 | C15 | C16 | 117.2° | 120.1° |
| C15 | C17 | H10 | 120.0° | 120.2° |
| C13 | C14 | C15 | 119.3° | 119.9° |
| C14 | C13 | H5 | 120.3° | 119.9° |
| C13 | C14 | H6 | 120.4° | 120.0° |
| C14 | C15 | C16 | 121.6° | 120.2° |
| C15 | C14 | H6 | 120.3° | 120.0° |
| C15 | C16 | H7 | 121.5° | 120.0° |
| C15 | C16 | O1 | 116.9° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H7 | C16 | O1 | 121.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S05 | C04 | C03 | 42.6° | 156.5° |
| O18 | S05 | C04 | O07 | 123.4° | 113.5° |
| O18 | S05 | C04 | O06 | 113.8° | 133.0° |
| O18 | S05 | O07 | O06 | 112.3° | 132.9° |
| O18 | S05 | C04 | C19 | 139.8° | 23.5° |
| O18 | S05 | O07 | C08 | 178.9° | 38.5° |
| C01 | N02 | C03 | N20 | 179.7° | 180.0° |
| C01 | N02 | C03 | C04 | 179.4° | 180.0° |
| C01 | N02 | N20 | C19 | 179.9° | 180.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.1° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 0.7° | 0.3° |
| N02 | C03 | C04 | H4 | 180.0° | 179.7° |
| N02 | C03 | C04 | S05 | 178.8° | 180.0° |
| N02 | C03 | C04 | C19 | 0.8° | 0.0° |
| C03 | N02 | N20 | C19 | 0.2° | 0.0° |
| C03 | N02 | C01 | H1 | 179.7° | 89.9° |
| C03 | N02 | C01 | H2 | 60.3° | 150.0° |
| C03 | N02 | C01 | H3 | 59.7° | 30.0° |
| C04 | C03 | N02 | N20 | 0.4° | 0.0° |
| C03 | C04 | S05 | C19 | 177.7° | 180.0° |
| C03 | C04 | S05 | O07 | 80.8° | 90.0° |
| C03 | C04 | S05 | O06 | 156.4° | 23.5° |
| C03 | C04 | C19 | N20 | 0.9° | 0.0° |
| C03 | C04 | C19 | H11 | 179.1° | 180.0° |
| O12 | N10 | O11 | C09 | 179.2° | 180.0° |
| O12 | N10 | C09 | C08 | 36.5° | 0.0° |
| O12 | N10 | C09 | C13 | 143.5° | 180.0° |
| N02 | N20 | C19 | C04 | 0.6° | 0.0° |
| N20 | N02 | C01 | H1 | 0.0° | 90.0° |
| N20 | N02 | C01 | H2 | 120.0° | 30.0° |
| N20 | N02 | C01 | H3 | 120.0° | 150.0° |
| N20 | N02 | C03 | H4 | 179.6° | 179.8° |
| N02 | N20 | C19 | H11 | 179.4° | 180.0° |
| C04 | S05 | O07 | O06 | 125.4° | 113.5° |
| C04 | S05 | O07 | C08 | 56.7° | 75.0° |
| S05 | C04 | C19 | N20 | 178.9° | 180.0° |
| S05 | C04 | C03 | H4 | 1.2° | 0.3° |
| S05 | C04 | C19 | H11 | 1.1° | 0.0° |
| O07 | S05 | C04 | C19 | 96.8° | 90.0° |
| S05 | O07 | C08 | C09 | 109.0° | 90.0° |
| S05 | O07 | C08 | C17 | 70.3° | 90.3° |
| O06 | S05 | C04 | C19 | 26.0° | 156.4° |
| O06 | S05 | O07 | C08 | 68.7° | 171.4° |
| C04 | C19 | N20 | H11 | 180.0° | 180.0° |
| C19 | C04 | C03 | H4 | 179.2° | 179.8° |
| O07 | C08 | C09 | N10 | 0.4° | 0.2° |
| O07 | C08 | C09 | C17 | 179.3° | 179.8° |
| O07 | C08 | C09 | C13 | 179.7° | 179.7° |
| O07 | C08 | C17 | C15 | 179.8° | 179.7° |
| O07 | C08 | C17 | H10 | 0.2° | 0.3° |
| O11 | N10 | C09 | C08 | 144.4° | 180.0° |
| O11 | N10 | C09 | C13 | 35.7° | 0.0° |
| N10 | C09 | C08 | C13 | 179.9° | 180.0° |
| N10 | C09 | C08 | C17 | 179.7° | 180.0° |
| N10 | C09 | C13 | C14 | 179.7° | 180.0° |
| N10 | C09 | C13 | H5 | 0.3° | 0.0° |
| C09 | C08 | C17 | C15 | 0.5° | 0.0° |
| C08 | C09 | C13 | C14 | 0.3° | 0.1° |
| C08 | C09 | C13 | H5 | 179.8° | 180.0° |
| C09 | C08 | C17 | H10 | 179.5° | 180.0° |
| C17 | C08 | C09 | C13 | 0.4° | 0.0° |
| C08 | C17 | C15 | H10 | 180.0° | 180.0° |
| C08 | C17 | C15 | C14 | 0.1° | 0.0° |
| C08 | C17 | C15 | C16 | 179.4° | 180.0° |
| C09 | C13 | C14 | H5 | 180.0° | 180.0° |
| C09 | C13 | C14 | C15 | 0.8° | 0.1° |
| C09 | C13 | C14 | H6 | 179.2° | 179.9° |
| C17 | C15 | C14 | C13 | 0.7° | 0.1° |
| C17 | C15 | C14 | C16 | 179.3° | 180.0° |
| C17 | C15 | C14 | H6 | 179.3° | 179.9° |
| C17 | C15 | C16 | H7 | 23.9° | 180.0° |
| C17 | C15 | C16 | O1 | 156.1° | 0.0° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H5 | 179.2° | 179.9° |
| C14 | C15 | C16 | H7 | 156.8° | 0.0° |
| C14 | C15 | C17 | H10 | 180.0° | 179.9° |
| C14 | C15 | C16 | O1 | 23.2° | 180.0° |
| C16 | C15 | C14 | H6 | 0.0° | 0.0° |
| C15 | C16 | H7 | O1 | 180.0° | 180.0° |
| C16 | C15 | C17 | H10 | 0.6° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H5 | C13 | C14 | H6 | 0.8° | 0.0° |
