WL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N13 | C12 | sing | 1.40Å | 1.45Å | |
| C15 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N02 | C03 | sing | 1.46Å | 1.45Å | |
| N02 | S06 | sing | 1.66Å | 1.70Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C04 | O05 | sing | 1.43Å | 1.40Å | |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | S06 | sing | 1.76Å | 1.81Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O07 | S06 | doub | 1.42Å | 1.47Å | |
| S06 | O08 | doub | 1.42Å | 1.47Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | 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 | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | H12 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| O05 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 119.6° | 120.0° |
| C01 | N02 | S06 | 117.7° | 120.0° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.4° |
| N02 | C01 | H5 | 109.5° | 109.4° |
| C15 | C14 | C12 | 119.6° | 119.9° |
| C14 | C15 | C09 | 119.4° | 120.1° |
| C14 | C15 | H2 | 120.3° | 120.0° |
| C15 | C14 | H11 | 120.2° | 120.1° |
| C14 | C12 | N13 | 120.1° | 120.1° |
| C14 | C12 | C11 | 120.5° | 119.8° |
| C12 | C14 | H11 | 120.2° | 120.0° |
| N13 | C12 | C11 | 119.4° | 120.1° |
| C12 | N13 | H12 | 109.5° | 120.0° |
| C12 | N13 | H13 | 109.5° | 119.9° |
| C15 | C09 | C10 | 121.2° | 120.1° |
| C15 | C09 | S06 | 120.1° | 119.9° |
| C09 | C15 | H2 | 120.3° | 120.0° |
| C12 | C11 | C10 | 120.2° | 120.0° |
| C12 | C11 | H10 | 119.9° | 120.0° |
| C03 | N02 | S06 | 118.5° | 120.0° |
| N02 | C03 | C04 | 109.7° | 109.5° |
| N02 | C03 | H6 | 109.4° | 109.5° |
| N02 | C03 | H7 | 109.4° | 109.5° |
| N02 | S06 | C09 | 106.9° | 107.2° |
| N02 | S06 | O07 | 111.3° | 106.4° |
| N02 | S06 | O08 | 111.8° | 106.4° |
| C03 | C04 | O05 | 108.1° | 109.4° |
| C04 | C03 | H6 | 109.4° | 109.4° |
| C04 | C03 | H7 | 109.4° | 109.5° |
| C03 | C04 | H8 | 109.8° | 109.5° |
| C03 | C04 | H9 | 109.8° | 109.5° |
| O05 | C04 | H8 | 109.8° | 109.5° |
| O05 | C04 | H9 | 109.8° | 109.5° |
| C04 | O05 | H14 | 109.5° | 114.0° |
| C10 | C09 | S06 | 118.7° | 120.0° |
| C09 | C10 | C11 | 119.2° | 120.1° |
| C09 | C10 | H1 | 120.4° | 120.0° |
| C09 | S06 | O07 | 110.3° | 106.4° |
| C09 | S06 | O08 | 110.2° | 106.4° |
| C11 | C10 | H1 | 120.4° | 120.0° |
| C10 | C11 | H10 | 119.9° | 120.0° |
| O07 | S06 | O08 | 106.4° | 123.2° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H12 | N13 | H13 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | S06 | 156.7° | 179.9° |
| C01 | N02 | C03 | C04 | 66.3° | 85.0° |
| C01 | N02 | S06 | C09 | 81.3° | 90.0° |
| C01 | N02 | S06 | O07 | 39.1° | 23.5° |
| C01 | N02 | S06 | O08 | 157.9° | 156.5° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H5 | 120.0° | 119.9° |
| C01 | N02 | C03 | H6 | 53.8° | 35.0° |
| C01 | N02 | C03 | H7 | 173.7° | 155.0° |
| C15 | C14 | C12 | H11 | 180.0° | 179.7° |
| C15 | C14 | C12 | N13 | 179.7° | 179.7° |
| C14 | C15 | C09 | H2 | 180.0° | 179.9° |
| C15 | C14 | C12 | C11 | 0.1° | 0.3° |
| C14 | C15 | C09 | C10 | 0.1° | 0.0° |
| C14 | C15 | C09 | S06 | 179.8° | 179.9° |
| C14 | C12 | N13 | C11 | 179.9° | 180.0° |
| C12 | C14 | C15 | C09 | 0.1° | 0.3° |
| C14 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C14 | C15 | H2 | 179.9° | 179.8° |
| C14 | C12 | C11 | H10 | 180.0° | 179.9° |
| C14 | C12 | N13 | H12 | 180.0° | 180.0° |
| C14 | C12 | N13 | H13 | 60.0° | 0.0° |
| N13 | C12 | C11 | C10 | 179.8° | 180.0° |
| N13 | C12 | C11 | H10 | 0.2° | 0.0° |
| N13 | C12 | C14 | H11 | 0.3° | 0.0° |
| C12 | N13 | H12 | H13 | 120.0° | 180.0° |
| C15 | C09 | S06 | N02 | 86.3° | 90.0° |
| C15 | C09 | C10 | S06 | 179.8° | 180.0° |
| C15 | C09 | C10 | C11 | 0.1° | 0.3° |
| C15 | C09 | S06 | O07 | 34.8° | 156.5° |
| C15 | C09 | S06 | O08 | 152.0° | 23.5° |
| C15 | C09 | C10 | H1 | 179.9° | 179.9° |
| C09 | C15 | C14 | H11 | 179.9° | 180.0° |
| C12 | C11 | C10 | C09 | 0.1° | 0.3° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 179.9° | 179.9° |
| C11 | C12 | C14 | H11 | 179.9° | 180.0° |
| C11 | C12 | N13 | H12 | 0.1° | 0.0° |
| C11 | C12 | N13 | H13 | 120.2° | 180.0° |
| N02 | C03 | C04 | H6 | 120.0° | 120.0° |
| N02 | C03 | C04 | H7 | 120.0° | 120.1° |
| N02 | C03 | C04 | O05 | 34.1° | 65.0° |
| C03 | N02 | S06 | C09 | 75.9° | 90.0° |
| C03 | N02 | S06 | O07 | 163.7° | 156.5° |
| C03 | N02 | S06 | O08 | 44.9° | 23.6° |
| C03 | N02 | C01 | H3 | 180.0° | 89.9° |
| C03 | N02 | C01 | H4 | 60.0° | 150.0° |
| C03 | N02 | C01 | H5 | 60.0° | 30.1° |
| N02 | C03 | H6 | H7 | 119.9° | 120.1° |
| N02 | C03 | C04 | H8 | 85.7° | 175.0° |
| N02 | C03 | C04 | H9 | 153.9° | 54.9° |
| S06 | N02 | C03 | C04 | 137.0° | 95.1° |
| N02 | S06 | C09 | C10 | 93.5° | 89.9° |
| N02 | S06 | C09 | O07 | 121.1° | 113.5° |
| N02 | S06 | C09 | O08 | 121.8° | 113.6° |
| N02 | S06 | O07 | O08 | 122.0° | 123.0° |
| S06 | N02 | C01 | H3 | 23.1° | 90.0° |
| S06 | N02 | C01 | H4 | 96.9° | 30.0° |
| S06 | N02 | C01 | H5 | 143.1° | 150.0° |
| S06 | N02 | C03 | H6 | 103.0° | 145.0° |
| S06 | N02 | C03 | H7 | 17.0° | 25.0° |
| C03 | C04 | O05 | H8 | 119.8° | 120.0° |
| C03 | C04 | O05 | H9 | 119.8° | 119.9° |
| C04 | C03 | H6 | H7 | 119.9° | 120.0° |
| C03 | C04 | H8 | H9 | 120.6° | 120.0° |
| C03 | C04 | O05 | H14 | 180.0° | 180.0° |
| O05 | C04 | C03 | H6 | 154.1° | 175.0° |
| O05 | C04 | C03 | H7 | 85.9° | 55.1° |
| O05 | C04 | H8 | H9 | 120.6° | 120.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | S06 | O07 | 145.5° | 23.6° |
| C10 | C09 | S06 | O08 | 28.3° | 156.5° |
| C10 | C09 | C15 | H2 | 179.9° | 180.0° |
| C09 | C10 | C11 | H10 | 179.9° | 179.7° |
| S06 | C09 | C10 | C11 | 179.9° | 179.8° |
| C09 | S06 | O07 | O08 | 119.5° | 122.9° |
| S06 | C09 | C10 | H1 | 0.1° | 0.1° |
| S06 | C09 | C15 | H2 | 0.2° | 0.0° |
| H1 | C10 | C11 | H10 | 0.1° | 0.0° |
| H2 | C15 | C14 | H11 | 0.1° | 0.1° |
| H3 | C01 | H4 | H5 | 119.9° | 120.0° |
| H6 | C03 | C04 | H8 | 34.3° | 55.0° |
| H6 | C03 | C04 | H9 | 86.1° | 65.1° |
| H7 | C03 | C04 | H8 | 154.3° | 64.9° |
| H7 | C03 | C04 | H9 | 33.9° | 175.0° |
| H8 | C04 | O05 | H14 | 60.2° | 60.0° |
| H9 | C04 | O05 | H14 | 60.2° | 60.1° |
