WUM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| S07 | C06 | sing | 1.76Å | 1.73Å | Aromatic |
| S07 | C08 | sing | 1.71Å | 1.73Å | Aromatic |
| C06 | C05 | doub | 1.33Å | 1.39Å | Aromatic |
| N02 | C03 | sing | 1.47Å | 1.46Å | |
| N02 | C04 | sing | 1.47Å | 1.47Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C05 | N10 | sing | 1.32Å | 1.32Å | Aromatic |
| C08 | N09 | sing | 1.39Å | 1.46Å | |
| C08 | N10 | doub | 1.30Å | 1.32Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 110.7° | 111.0° |
| C01 | N02 | C04 | 112.6° | 111.0° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.4° | 109.4° |
| C06 | S07 | C08 | 95.5° | 90.3° |
| S07 | C06 | C05 | 103.9° | 108.1° |
| S07 | C06 | H10 | 128.1° | 126.0° |
| S07 | C08 | N09 | 127.6° | 124.9° |
| S07 | C08 | N10 | 106.2° | 110.1° |
| C06 | C05 | C04 | 121.6° | 122.7° |
| C06 | C05 | N10 | 116.7° | 114.6° |
| C05 | C06 | H10 | 128.1° | 125.9° |
| C03 | N02 | C04 | 112.8° | 111.0° |
| N02 | C03 | H5 | 109.5° | 109.5° |
| N02 | C03 | H6 | 109.4° | 109.5° |
| N02 | C03 | H7 | 109.4° | 109.5° |
| N02 | C04 | C05 | 112.7° | 109.5° |
| N02 | C04 | H8 | 108.6° | 109.5° |
| N02 | C04 | H9 | 108.6° | 109.5° |
| C04 | C05 | N10 | 121.7° | 122.7° |
| C05 | C04 | H8 | 108.6° | 109.4° |
| C05 | C04 | H9 | 108.7° | 109.5° |
| C05 | N10 | C08 | 117.6° | 116.8° |
| N09 | C08 | N10 | 126.2° | 124.9° |
| C08 | N09 | H11 | 109.5° | 120.0° |
| C08 | N09 | H12 | 109.5° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H7 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H11 | N09 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 127.2° | 124.0° |
| C01 | N02 | C04 | C05 | 56.6° | 66.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 119.9° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H5 | 180.0° | 63.9° |
| C01 | N02 | C03 | H6 | 60.0° | 176.1° |
| C01 | N02 | C03 | H7 | 60.0° | 56.1° |
| C01 | N02 | C04 | H8 | 177.0° | 174.0° |
| C01 | N02 | C04 | H9 | 63.9° | 54.0° |
| S07 | C06 | C05 | H10 | 180.0° | 179.9° |
| S07 | C06 | C05 | C04 | 178.3° | 180.0° |
| S07 | C06 | C05 | N10 | 2.3° | 0.3° |
| C06 | S07 | C08 | N09 | 178.7° | 180.0° |
| C06 | S07 | C08 | N10 | 0.9° | 0.2° |
| C08 | S07 | C06 | C05 | 0.7° | 0.0° |
| S07 | C08 | N10 | C05 | 2.5° | 0.4° |
| S07 | C08 | N09 | N10 | 179.4° | 179.8° |
| C08 | S07 | C06 | H10 | 179.2° | 180.0° |
| S07 | C08 | N09 | H11 | 0.0° | 0.0° |
| S07 | C08 | N09 | H12 | 120.0° | 180.0° |
| C06 | C05 | C04 | N02 | 113.7° | 95.2° |
| C06 | C05 | C04 | N10 | 179.4° | 179.8° |
| C06 | C05 | N10 | C08 | 3.4° | 0.5° |
| C06 | C05 | C04 | H8 | 125.8° | 24.8° |
| C06 | C05 | C04 | H9 | 6.8° | 144.7° |
| C03 | N02 | C04 | C05 | 69.6° | 170.0° |
| C03 | N02 | C01 | H1 | 180.0° | 60.0° |
| C03 | N02 | C01 | H2 | 60.0° | 180.0° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | C03 | H5 | H6 | 120.0° | 120.0° |
| N02 | C03 | H5 | H7 | 120.0° | 120.0° |
| N02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C03 | N02 | C04 | H8 | 50.9° | 50.0° |
| C03 | N02 | C04 | H9 | 169.9° | 70.0° |
| N02 | C04 | C05 | H8 | 120.5° | 120.0° |
| N02 | C04 | C05 | H9 | 120.5° | 120.1° |
| N02 | C04 | C05 | N10 | 66.9° | 85.0° |
| C04 | N02 | C01 | H1 | 52.7° | 176.0° |
| C04 | N02 | C01 | H2 | 172.7° | 56.0° |
| C04 | N02 | C01 | H3 | 67.3° | 64.0° |
| C04 | N02 | C03 | H5 | 52.8° | 60.0° |
| C04 | N02 | C03 | H6 | 67.2° | 60.0° |
| C04 | N02 | C03 | H7 | 172.8° | 180.0° |
| N02 | C04 | H8 | H9 | 118.5° | 120.0° |
| C04 | C05 | N10 | C08 | 177.2° | 179.8° |
| C05 | C04 | H8 | H9 | 118.5° | 119.9° |
| C04 | C05 | C06 | H10 | 1.7° | 0.0° |
| C05 | N10 | C08 | N09 | 177.1° | 179.8° |
| N10 | C05 | C04 | H8 | 53.6° | 155.0° |
| N10 | C05 | C04 | H9 | 172.6° | 35.1° |
| N10 | C05 | C06 | H10 | 177.7° | 179.8° |
| C08 | N09 | H11 | H12 | 120.0° | 179.9° |
| N10 | C08 | N09 | H11 | 179.4° | 179.8° |
| N10 | C08 | N09 | H12 | 59.4° | 0.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
