WMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C02 | sing | 1.74Å | 1.78Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C08 | sing | 1.48Å | 1.53Å | |
| N10 | C11 | sing | 1.39Å | 1.45Å | |
| N10 | C08 | sing | 1.35Å | 1.46Å | |
| C12 | C11 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| C11 | N15 | doub | 1.31Å | 1.34Å | Aromatic |
| C08 | O09 | doub | 1.22Å | 1.19Å | |
| C13 | O14 | sing | 1.34Å | 1.32Å | Aromatic |
| N15 | O14 | sing | 1.21Å | 1.37Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C02 | C03 | 121.7° | 119.9° |
| CL1 | C02 | C07 | 117.9° | 119.9° |
| C03 | C02 | C07 | 120.3° | 120.2° |
| C02 | C03 | C04 | 119.7° | 120.2° |
| C02 | C03 | H2 | 120.2° | 119.9° |
| C02 | C07 | C06 | 120.5° | 119.8° |
| C02 | C07 | H5 | 119.7° | 120.1° |
| C03 | C04 | C05 | 120.0° | 120.2° |
| C04 | C03 | H2 | 120.2° | 119.9° |
| C03 | C04 | H3 | 120.0° | 119.9° |
| C07 | C06 | C05 | 119.4° | 119.7° |
| C07 | C06 | C08 | 119.5° | 120.1° |
| C06 | C07 | H5 | 119.8° | 120.1° |
| C04 | C05 | C06 | 120.2° | 119.9° |
| C05 | C04 | H3 | 120.1° | 119.9° |
| C04 | C05 | H4 | 119.9° | 120.1° |
| C05 | C06 | C08 | 121.1° | 120.2° |
| C06 | C05 | H4 | 119.9° | 120.1° |
| C06 | C08 | N10 | 118.6° | 120.0° |
| C06 | C08 | O09 | 119.7° | 120.0° |
| C11 | N10 | C08 | 123.6° | 120.0° |
| N10 | C11 | C12 | 125.0° | 126.9° |
| N10 | C11 | N15 | 127.4° | 126.9° |
| C11 | N10 | H7 | 118.2° | 120.0° |
| N10 | C08 | O09 | 121.7° | 119.9° |
| C08 | N10 | H7 | 118.2° | 120.0° |
| C11 | C12 | C13 | 107.7° | 104.0° |
| C12 | C11 | N15 | 107.6° | 106.2° |
| C11 | C12 | H6 | 126.2° | 128.0° |
| C12 | C13 | O14 | 106.9° | 106.6° |
| C12 | C13 | H1 | 126.5° | 126.7° |
| C13 | C12 | H6 | 126.1° | 128.0° |
| C11 | N15 | O14 | 106.5° | 111.4° |
| C13 | O14 | N15 | 111.3° | 111.8° |
| O14 | C13 | H1 | 126.5° | 126.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C02 | C03 | C07 | 179.3° | 179.8° |
| CL1 | C02 | C03 | C04 | 179.3° | 179.7° |
| CL1 | C02 | C07 | C06 | 179.4° | 179.7° |
| CL1 | C02 | C03 | H2 | 0.7° | 0.3° |
| CL1 | C02 | C07 | H5 | 0.6° | 0.2° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C03 | C02 | C07 | C06 | 0.1° | 0.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | H3 | 179.9° | 180.0° |
| C03 | C02 | C07 | H5 | 179.9° | 180.0° |
| C07 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C07 | C06 | H5 | 180.0° | 179.9° |
| C02 | C07 | C06 | C05 | 0.1° | 0.0° |
| C02 | C07 | C06 | C08 | 179.4° | 180.0° |
| C07 | C02 | C03 | H2 | 179.9° | 180.0° |
| C03 | C04 | C05 | H3 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H4 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 0.0° | 0.0° |
| C07 | C06 | C05 | C08 | 179.4° | 180.0° |
| C07 | C06 | C08 | N10 | 33.1° | 0.0° |
| C07 | C06 | C08 | O09 | 147.8° | 180.0° |
| C07 | C06 | C05 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C04 | C05 | C06 | C08 | 179.4° | 180.0° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| C05 | C06 | C08 | N10 | 146.4° | 180.0° |
| C05 | C06 | C08 | O09 | 32.8° | 0.0° |
| C06 | C05 | C04 | H3 | 179.9° | 180.0° |
| C05 | C06 | C07 | H5 | 179.9° | 180.0° |
| C06 | C08 | N10 | C11 | 179.7° | 180.0° |
| C06 | C08 | N10 | O09 | 179.2° | 180.0° |
| C08 | C06 | C05 | H4 | 0.6° | 0.0° |
| C08 | C06 | C07 | H5 | 0.6° | 0.0° |
| C06 | C08 | N10 | H7 | 0.3° | 0.0° |
| C11 | N10 | C08 | H7 | 180.0° | 180.0° |
| N10 | C11 | C12 | N15 | 179.2° | 179.6° |
| N10 | C11 | C12 | C13 | 179.6° | 179.8° |
| C11 | N10 | C08 | O09 | 0.6° | 0.0° |
| N10 | C11 | N15 | O14 | 179.6° | 180.0° |
| N10 | C11 | C12 | H6 | 0.4° | 0.1° |
| C08 | N10 | C11 | C12 | 146.4° | 0.5° |
| C08 | N10 | C11 | N15 | 34.5° | 180.0° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | O14 | 0.2° | 0.0° |
| C12 | C11 | N15 | O14 | 0.4° | 0.4° |
| C11 | C12 | C13 | H1 | 179.8° | 179.8° |
| C12 | C11 | N10 | H7 | 33.6° | 179.5° |
| C13 | C12 | C11 | N15 | 0.4° | 0.2° |
| C12 | C13 | O14 | H1 | 180.0° | 179.8° |
| C12 | C13 | O14 | N15 | 0.0° | 0.3° |
| C11 | N15 | O14 | C13 | 0.3° | 0.5° |
| N15 | C11 | C12 | H6 | 179.7° | 179.7° |
| N15 | C11 | N10 | H7 | 145.5° | 0.0° |
| O09 | C08 | N10 | H7 | 179.4° | 180.0° |
| O14 | C13 | C12 | H6 | 179.8° | 180.0° |
| N15 | O14 | C13 | H1 | 180.0° | 180.0° |
| H1 | C13 | C12 | H6 | 0.2° | 0.3° |
| H2 | C03 | C04 | H3 | 0.1° | 0.0° |
| H3 | C04 | C05 | H4 | 0.1° | 0.1° |
