ZWD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C03 | sing | 1.39Å | 1.45Å | |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.53Å | |
| O13 | C11 | doub | 1.21Å | 1.26Å | |
| O12 | C11 | sing | 1.34Å | 1.26Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| N09 | C07 | sing | 1.35Å | 1.45Å | |
| N09 | C10 | sing | 1.47Å | 1.45Å | |
| C07 | O08 | doub | 1.22Å | 1.18Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C03 | C04 | 120.0° | 119.9° |
| N14 | C03 | C02 | 119.9° | 120.0° |
| C03 | N14 | H142 | 109.5° | 120.0° |
| C03 | N14 | H141 | 109.4° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C04 | C03 | C02 | 120.0° | 120.1° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C04 | C05 | C06 | 120.0° | 120.0° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C04 | C05 | H051 | 120.0° | 120.0° |
| C03 | C02 | C01 | 120.1° | 120.1° |
| C03 | C02 | H021 | 120.0° | 119.9° |
| C05 | C06 | C01 | 120.0° | 119.9° |
| C05 | C06 | C07 | 120.0° | 120.1° |
| C06 | C05 | H051 | 120.0° | 120.1° |
| C02 | C01 | C06 | 119.9° | 119.9° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | 120.0° | 120.0° |
| C01 | C06 | C07 | 120.0° | 120.1° |
| C06 | C01 | H011 | 120.0° | 120.1° |
| C06 | C07 | N09 | 119.8° | 120.0° |
| C06 | C07 | O08 | 119.9° | 120.0° |
| O13 | C11 | O12 | 119.7° | 120.0° |
| O13 | C11 | C10 | 120.0° | 120.1° |
| O12 | C11 | C10 | 120.3° | 120.0° |
| C11 | O12 | H1 | 109.5° | 116.9° |
| C11 | C10 | N09 | 109.9° | 109.5° |
| C11 | C10 | H102 | 109.4° | 109.4° |
| C11 | C10 | H101 | 109.4° | 109.5° |
| C07 | N09 | C10 | 120.8° | 120.0° |
| N09 | C07 | O08 | 120.3° | 120.0° |
| C07 | N09 | H091 | 119.6° | 120.0° |
| N09 | C10 | H102 | 109.3° | 109.5° |
| N09 | C10 | H101 | 109.4° | 109.5° |
| C10 | N09 | H091 | 119.6° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H142 | N14 | H141 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C03 | C04 | C02 | 179.9° | 179.9° |
| N14 | C03 | C04 | C05 | 180.0° | 180.0° |
| N14 | C03 | C02 | C01 | 180.0° | 180.0° |
| N14 | C03 | C02 | H021 | 0.0° | 0.1° |
| N14 | C03 | C04 | H041 | 0.1° | 0.0° |
| C03 | N14 | H142 | H141 | 120.0° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.2° |
| C04 | C03 | C02 | C01 | 0.0° | 0.0° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C04 | C03 | N14 | H142 | 180.0° | 180.0° |
| C04 | C03 | N14 | H141 | 60.0° | 0.1° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.8° |
| C04 | C05 | C06 | C01 | 0.1° | 0.5° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.1° | 0.2° |
| C03 | C02 | C01 | H011 | 179.9° | 180.0° |
| C02 | C03 | C04 | H041 | 180.0° | 179.9° |
| C02 | C03 | N14 | H142 | 0.0° | 0.1° |
| C02 | C03 | N14 | H141 | 120.1° | 180.0° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C06 | C01 | C07 | 179.7° | 179.5° |
| C05 | C06 | C07 | N09 | 17.7° | 180.0° |
| C05 | C06 | C07 | O08 | 162.4° | 0.0° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C06 | C05 | C04 | H041 | 180.0° | 179.8° |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C02 | C01 | C06 | C07 | 179.9° | 180.0° |
| C01 | C06 | C07 | N09 | 162.6° | 0.5° |
| C01 | C06 | C07 | O08 | 17.3° | 179.5° |
| C06 | C01 | C02 | H021 | 179.9° | 179.7° |
| C01 | C06 | C05 | H051 | 179.9° | 179.7° |
| C06 | C07 | N09 | O08 | 179.9° | 180.0° |
| C06 | C07 | N09 | C10 | 179.9° | 180.0° |
| C07 | C06 | C01 | H011 | 0.2° | 0.2° |
| C07 | C06 | C05 | H051 | 0.2° | 0.2° |
| C06 | C07 | N09 | H091 | 0.1° | 0.0° |
| O13 | C11 | O12 | C10 | 179.7° | 179.9° |
| O13 | C11 | C10 | N09 | 88.7° | 0.0° |
| O13 | C11 | C10 | H102 | 31.4° | 120.0° |
| O13 | C11 | C10 | H101 | 151.2° | 120.0° |
| O13 | C11 | O12 | H1 | 0.0° | 0.1° |
| O12 | C11 | C10 | N09 | 91.0° | 180.0° |
| O12 | C11 | C10 | H102 | 148.9° | 60.0° |
| O12 | C11 | C10 | H101 | 29.1° | 60.0° |
| C11 | C10 | N09 | C07 | 122.2° | 180.0° |
| C11 | C10 | N09 | H102 | 120.1° | 120.0° |
| C11 | C10 | N09 | H101 | 120.1° | 120.0° |
| C11 | C10 | H102 | H101 | 119.8° | 120.0° |
| C11 | C10 | N09 | H091 | 57.8° | 0.0° |
| C10 | C11 | O12 | H1 | 179.7° | 180.0° |
| C07 | N09 | C10 | H091 | 180.0° | 180.0° |
| C07 | N09 | C10 | H102 | 117.7° | 60.0° |
| C07 | N09 | C10 | H101 | 2.2° | 60.0° |
| C10 | N09 | C07 | O08 | 0.2° | 0.0° |
| N09 | C10 | H102 | H101 | 119.8° | 120.0° |
| O08 | C07 | N09 | H091 | 179.8° | 180.0° |
| H102 | C10 | N09 | H091 | 62.3° | 120.0° |
| H101 | C10 | N09 | H091 | 177.8° | 120.0° |
| H011 | C01 | C02 | H021 | 0.0° | 0.1° |
| H041 | C04 | C05 | H051 | 0.0° | 0.0° |
