WYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | C11 | doub | 1.34Å | 1.38Å | Aromatic |
| N2 | C12 | sing | 1.31Å | 1.30Å | Aromatic |
| C11 | C6 | sing | 1.42Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.34Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.32Å | 1.30Å | Aromatic |
| C5 | O3 | sing | 1.36Å | 1.35Å | |
| O3 | P1 | sing | 1.61Å | 1.58Å | |
| S1 | P1 | doub | 1.86Å | 1.91Å | |
| P1 | O2 | sing | 1.61Å | 1.57Å | |
| P1 | O1 | sing | 1.61Å | 1.56Å | |
| C2 | O1 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| O2 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 119.8° | 119.7° |
| C10 | C9 | C8 | 120.8° | 121.0° |
| C9 | C10 | H6 | 120.1° | 120.1° |
| C10 | C9 | H15 | 119.6° | 119.5° |
| C10 | C11 | N2 | 120.2° | 121.1° |
| C10 | C11 | C6 | 119.4° | 119.3° |
| C11 | C10 | H6 | 120.1° | 120.1° |
| C9 | C8 | C7 | 120.7° | 121.0° |
| C9 | C8 | H5 | 119.7° | 119.5° |
| C8 | C9 | H15 | 119.6° | 119.5° |
| C11 | N2 | C12 | 117.0° | 119.8° |
| N2 | C11 | C6 | 120.5° | 119.6° |
| N2 | C12 | C5 | 122.0° | 120.6° |
| N2 | C12 | H10 | 119.0° | 119.7° |
| C11 | C6 | C7 | 119.6° | 119.3° |
| C11 | C6 | N1 | 120.6° | 119.7° |
| C8 | C7 | C6 | 119.7° | 119.7° |
| C8 | C7 | H4 | 120.1° | 120.1° |
| C7 | C8 | H5 | 119.6° | 119.5° |
| C12 | C5 | N1 | 123.4° | 120.5° |
| C12 | C5 | O3 | 118.7° | 119.7° |
| C5 | C12 | H10 | 118.9° | 119.7° |
| C7 | C6 | N1 | 119.8° | 121.0° |
| C6 | C7 | H4 | 120.2° | 120.2° |
| C6 | N1 | C5 | 116.5° | 119.7° |
| N1 | C5 | O3 | 117.9° | 119.8° |
| C5 | O3 | P1 | 120.4° | 114.0° |
| O3 | P1 | S1 | 114.6° | 109.5° |
| O3 | P1 | O2 | 101.5° | 109.5° |
| O3 | P1 | O1 | 101.1° | 109.4° |
| S1 | P1 | O2 | 117.1° | 109.5° |
| S1 | P1 | O1 | 117.1° | 109.4° |
| O2 | P1 | O1 | 103.1° | 109.5° |
| P1 | O2 | C3 | 122.2° | 123.0° |
| P1 | O1 | C2 | 121.6° | 123.0° |
| O1 | C2 | C1 | 110.2° | 109.4° |
| O1 | C2 | H11 | 109.3° | 109.5° |
| O1 | C2 | H12 | 109.3° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H11 | 109.3° | 109.5° |
| C1 | C2 | H12 | 109.3° | 109.4° |
| O2 | C3 | C4 | 110.2° | 109.4° |
| O2 | C3 | H13 | 109.3° | 109.4° |
| O2 | C3 | H14 | 109.3° | 109.5° |
| C3 | C4 | H1 | 109.5° | 109.4° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C4 | C3 | H13 | 109.3° | 109.5° |
| C4 | C3 | H14 | 109.3° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C10 | C9 | C8 | H15 | 180.0° | 180.0° |
| C9 | C10 | C11 | N2 | 179.9° | 180.0° |
| C9 | C10 | C11 | C6 | 0.0° | 0.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C10 | C9 | C8 | H5 | 179.8° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | N2 | C6 | 179.9° | 180.0° |
| C10 | C11 | N2 | C12 | 180.0° | 179.9° |
| C10 | C11 | C6 | C7 | 0.0° | 0.0° |
| C10 | C11 | C6 | N1 | 179.8° | 179.9° |
| C11 | C10 | C9 | H15 | 179.9° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C9 | C8 | C7 | H4 | 179.8° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C11 | N2 | C12 | C5 | 0.4° | 0.1° |
| N2 | C11 | C6 | C7 | 179.9° | 180.0° |
| N2 | C11 | C6 | N1 | 0.1° | 0.0° |
| N2 | C11 | C10 | H6 | 0.1° | 0.1° |
| C11 | N2 | C12 | H10 | 179.6° | 180.0° |
| C12 | N2 | C11 | C6 | 0.1° | 0.1° |
| N2 | C12 | C5 | H10 | 180.0° | 179.9° |
| N2 | C12 | C5 | N1 | 1.2° | 0.1° |
| N2 | C12 | C5 | O3 | 179.2° | 180.0° |
| C11 | C6 | C7 | C8 | 0.1° | 0.0° |
| C11 | C6 | C7 | N1 | 179.9° | 179.9° |
| C11 | C6 | N1 | C5 | 0.7° | 0.0° |
| C11 | C6 | C7 | H4 | 179.9° | 180.0° |
| C6 | C11 | C10 | H6 | 179.9° | 180.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | N1 | 179.9° | 179.9° |
| C7 | C8 | C9 | H15 | 179.8° | 180.0° |
| C12 | C5 | N1 | C6 | 1.3° | 0.1° |
| C12 | C5 | N1 | O3 | 178.1° | 180.0° |
| C12 | C5 | O3 | P1 | 101.3° | 90.0° |
| C7 | C6 | N1 | C5 | 179.4° | 180.0° |
| C6 | C7 | C8 | H5 | 179.9° | 179.9° |
| C6 | N1 | C5 | O3 | 179.3° | 180.0° |
| N1 | C6 | C7 | H4 | 0.1° | 0.1° |
| N1 | C5 | O3 | P1 | 76.9° | 90.0° |
| N1 | C5 | C12 | H10 | 178.8° | 180.0° |
| C5 | O3 | P1 | S1 | 58.9° | 45.0° |
| C5 | O3 | P1 | O2 | 68.2° | 75.0° |
| C5 | O3 | P1 | O1 | 174.2° | 165.0° |
| O3 | C5 | C12 | H10 | 0.8° | 0.0° |
| O3 | P1 | S1 | O2 | 118.7° | 120.1° |
| O3 | P1 | S1 | O1 | 118.1° | 120.0° |
| O3 | P1 | O2 | O1 | 104.4° | 120.0° |
| O3 | P1 | O1 | C2 | 63.0° | 165.0° |
| O3 | P1 | O2 | C3 | 173.5° | 75.0° |
| S1 | P1 | O2 | O1 | 130.2° | 120.0° |
| S1 | P1 | O1 | C2 | 62.2° | 45.0° |
| S1 | P1 | O2 | C3 | 61.0° | 45.0° |
| O2 | P1 | O1 | C2 | 167.7° | 75.0° |
| P1 | O2 | C3 | C4 | 177.7° | 180.0° |
| P1 | O2 | C3 | H13 | 62.2° | 60.0° |
| P1 | O2 | C3 | H14 | 57.6° | 60.0° |
| P1 | O1 | C2 | C1 | 179.8° | 180.0° |
| O1 | P1 | O2 | C3 | 69.2° | 165.0° |
| P1 | O1 | C2 | H11 | 60.0° | 60.0° |
| P1 | O1 | C2 | H12 | 59.7° | 60.0° |
| O1 | C2 | C1 | H11 | 120.1° | 120.0° |
| O1 | C2 | C1 | H12 | 120.1° | 120.0° |
| O1 | C2 | C1 | H7 | 180.0° | 60.0° |
| O1 | C2 | C1 | H8 | 60.0° | 60.0° |
| O1 | C2 | C1 | H9 | 60.0° | 180.0° |
| O1 | C2 | H11 | H12 | 119.7° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H11 | H12 | 119.6° | 120.0° |
| O2 | C3 | C4 | H13 | 120.1° | 119.9° |
| O2 | C3 | C4 | H14 | 120.1° | 120.0° |
| O2 | C3 | C4 | H1 | 180.0° | 180.0° |
| O2 | C3 | C4 | H2 | 60.0° | 60.0° |
| O2 | C3 | C4 | H3 | 60.0° | 60.0° |
| O2 | C3 | H13 | H14 | 119.7° | 120.0° |
| C3 | C4 | H1 | H2 | 120.0° | 119.9° |
| C3 | C4 | H1 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | H13 | H14 | 119.7° | 120.1° |
| H1 | C4 | H2 | H3 | 120.0° | 120.1° |
| H1 | C4 | C3 | H13 | 59.9° | 60.0° |
| H1 | C4 | C3 | H14 | 59.9° | 60.0° |
| H2 | C4 | C3 | H13 | 179.9° | 59.9° |
| H2 | C4 | C3 | H14 | 60.1° | 180.0° |
| H3 | C4 | C3 | H13 | 60.1° | 179.9° |
| H3 | C4 | C3 | H14 | 179.9° | 60.0° |
| H4 | C7 | C8 | H5 | 0.2° | 0.0° |
| H5 | C8 | C9 | H15 | 0.2° | 0.1° |
| H6 | C10 | C9 | H15 | 0.0° | 0.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H11 | 59.9° | 60.0° |
| H7 | C1 | C2 | H12 | 59.9° | 180.0° |
| H8 | C1 | C2 | H11 | 179.9° | 180.0° |
| H8 | C1 | C2 | H12 | 60.1° | 60.0° |
| H9 | C1 | C2 | H11 | 60.2° | 60.0° |
| H9 | C1 | C2 | H12 | 179.9° | 60.1° |
