WWS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL14 | C13 | sing | 1.74Å | 1.71Å | |
| C15 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | N11 | doub | 1.32Å | 1.26Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.29Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.43Å | |
| C09 | N08 | sing | 1.46Å | 1.44Å | |
| C17 | N08 | sing | 1.34Å | 1.31Å | Aromatic |
| C17 | N18 | doub | 1.31Å | 1.30Å | Aromatic |
| N08 | C07 | sing | 1.38Å | 1.34Å | Aromatic |
| N18 | C02 | sing | 1.34Å | 1.29Å | Aromatic |
| C07 | N06 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | C03 | sing | 1.41Å | 1.31Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.34Å | Aromatic |
| C02 | C03 | doub | 1.41Å | 1.40Å | Aromatic |
| C02 | N01 | sing | 1.37Å | 1.44Å | |
| C03 | N04 | sing | 1.34Å | 1.35Å | Aromatic |
| C05 | N04 | doub | 1.32Å | 1.31Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL14 | C13 | C15 | 120.2° | 120.5° |
| CL14 | C13 | C12 | 117.7° | 120.4° |
| C13 | C15 | C16 | 117.3° | 118.4° |
| C15 | C13 | C12 | 122.1° | 119.1° |
| C13 | C15 | H151 | 121.3° | 120.8° |
| C15 | C16 | C10 | 115.9° | 119.2° |
| C16 | C15 | H151 | 121.3° | 120.8° |
| C15 | C16 | H161 | 122.1° | 120.4° |
| C13 | C12 | N11 | 116.8° | 120.7° |
| C13 | C12 | H121 | 121.6° | 119.6° |
| C16 | C10 | N11 | 123.7° | 120.8° |
| C16 | C10 | C09 | 120.6° | 119.6° |
| C10 | C16 | H161 | 122.0° | 120.4° |
| C12 | N11 | C10 | 123.9° | 121.7° |
| N11 | C12 | H121 | 121.6° | 119.7° |
| N11 | C10 | C09 | 115.6° | 119.6° |
| C10 | C09 | N08 | 114.2° | 109.5° |
| C10 | C09 | H092 | 108.3° | 109.5° |
| C10 | C09 | H091 | 108.3° | 109.5° |
| C09 | N08 | C17 | 118.4° | 120.1° |
| C09 | N08 | C07 | 121.3° | 120.1° |
| N08 | C09 | H092 | 108.3° | 109.5° |
| N08 | C09 | H091 | 108.3° | 109.4° |
| N08 | C17 | N18 | 122.3° | 122.4° |
| C17 | N08 | C07 | 120.0° | 119.8° |
| N08 | C17 | H171 | 118.8° | 118.8° |
| C17 | N18 | C02 | 119.8° | 122.0° |
| N18 | C17 | H171 | 118.9° | 118.8° |
| N08 | C07 | N06 | 132.4° | 135.1° |
| N08 | C07 | C03 | 119.4° | 118.4° |
| N18 | C02 | C03 | 120.2° | 119.1° |
| N18 | C02 | N01 | 118.5° | 120.5° |
| N06 | C07 | C03 | 108.2° | 106.5° |
| C07 | N06 | C05 | 106.3° | 108.7° |
| C07 | C03 | C02 | 118.3° | 118.3° |
| C07 | C03 | N04 | 109.5° | 106.4° |
| N06 | C05 | N04 | 110.9° | 110.2° |
| N06 | C05 | H051 | 124.6° | 124.9° |
| C03 | C02 | N01 | 121.3° | 120.4° |
| C02 | C03 | N04 | 132.2° | 135.2° |
| C02 | N01 | H012 | 109.5° | 120.1° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C03 | N04 | C05 | 105.1° | 108.2° |
| N04 | C05 | H051 | 124.5° | 124.9° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H012 | N01 | H011 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL14 | C13 | C15 | C12 | 179.9° | 179.4° |
| CL14 | C13 | C15 | C16 | 179.6° | 179.8° |
| CL14 | C13 | C12 | N11 | 176.7° | 180.0° |
| CL14 | C13 | C15 | H151 | 0.4° | 0.6° |
| CL14 | C13 | C12 | H121 | 3.4° | 0.5° |
| C13 | C15 | C16 | H151 | 180.0° | 179.6° |
| C13 | C15 | C16 | C10 | 1.7° | 0.1° |
| C15 | C13 | C12 | N11 | 3.4° | 0.6° |
| C15 | C13 | C12 | H121 | 176.6° | 179.9° |
| C13 | C15 | C16 | H161 | 178.4° | 180.0° |
| C16 | C15 | C13 | C12 | 0.4° | 0.3° |
| C15 | C16 | C10 | H161 | 180.0° | 179.9° |
| C15 | C16 | C10 | N11 | 0.9° | 0.1° |
| C15 | C16 | C10 | C09 | 179.4° | 179.8° |
| C13 | C12 | N11 | H121 | 180.0° | 179.5° |
| C13 | C12 | N11 | C10 | 4.3° | 0.5° |
| C12 | C13 | C15 | H151 | 179.5° | 180.0° |
| C16 | C10 | N11 | C12 | 2.3° | 0.3° |
| C16 | C10 | N11 | C09 | 178.6° | 179.7° |
| C16 | C10 | C09 | N08 | 76.7° | 95.3° |
| C10 | C16 | C15 | H151 | 178.4° | 179.7° |
| C16 | C10 | C09 | H092 | 44.0° | 144.7° |
| C16 | C10 | C09 | H091 | 162.6° | 24.7° |
| C12 | N11 | C10 | C09 | 176.3° | 180.0° |
| N11 | C10 | C09 | N08 | 104.7° | 85.0° |
| N11 | C10 | C09 | H092 | 134.6° | 35.0° |
| N11 | C10 | C09 | H091 | 16.0° | 155.0° |
| C10 | N11 | C12 | H121 | 175.6° | 179.9° |
| N11 | C10 | C16 | H161 | 179.1° | 179.9° |
| C10 | C09 | N08 | H092 | 120.7° | 120.0° |
| C10 | C09 | N08 | H091 | 120.7° | 120.0° |
| C10 | C09 | N08 | C17 | 90.0° | 90.0° |
| C10 | C09 | N08 | C07 | 96.4° | 90.0° |
| C10 | C09 | H092 | H091 | 117.8° | 120.0° |
| C09 | C10 | C16 | H161 | 0.6° | 0.4° |
| C09 | N08 | C17 | C07 | 173.7° | 180.0° |
| C09 | N08 | C17 | N18 | 173.8° | 180.0° |
| C09 | N08 | C07 | N06 | 7.1° | 0.0° |
| C09 | N08 | C07 | C03 | 174.3° | 180.0° |
| C09 | N08 | C17 | H171 | 6.2° | 0.4° |
| N08 | C09 | H092 | H091 | 117.8° | 120.0° |
| N08 | C17 | N18 | H171 | 180.0° | 179.6° |
| N08 | C17 | N18 | C02 | 0.8° | 0.1° |
| C17 | N08 | C07 | N06 | 179.3° | 180.0° |
| C17 | N08 | C07 | C03 | 0.7° | 0.0° |
| C17 | N08 | C09 | H092 | 30.7° | 30.0° |
| C17 | N08 | C09 | H091 | 149.3° | 150.0° |
| N18 | C17 | N08 | C07 | 0.1° | 0.1° |
| C17 | N18 | C02 | C03 | 2.0° | 0.1° |
| C17 | N18 | C02 | N01 | 178.6° | 180.0° |
| N08 | C07 | N06 | C03 | 178.7° | 180.0° |
| N08 | C07 | N06 | C05 | 179.2° | 180.0° |
| N08 | C07 | C03 | C02 | 1.9° | 0.0° |
| N08 | C07 | C03 | N04 | 178.4° | 180.0° |
| C07 | N08 | C17 | H171 | 179.9° | 179.7° |
| C07 | N08 | C09 | H092 | 142.9° | 150.0° |
| C07 | N08 | C09 | H091 | 24.3° | 30.0° |
| N18 | C02 | C03 | C07 | 2.5° | 0.0° |
| N18 | C02 | C03 | N01 | 176.6° | 180.0° |
| N18 | C02 | C03 | N04 | 177.8° | 179.9° |
| C02 | N18 | C17 | H171 | 179.2° | 179.7° |
| N18 | C02 | N01 | H012 | 0.0° | 179.9° |
| N18 | C02 | N01 | H011 | 120.0° | 0.0° |
| N06 | C07 | C03 | C02 | 179.2° | 180.0° |
| N06 | C07 | C03 | N04 | 0.6° | 0.0° |
| C07 | N06 | C05 | N04 | 1.4° | 0.1° |
| C07 | N06 | C05 | H051 | 178.5° | 180.0° |
| C03 | C07 | N06 | C05 | 0.5° | 0.1° |
| C07 | C03 | C02 | N04 | 179.7° | 180.0° |
| C07 | C03 | C02 | N01 | 179.1° | 180.0° |
| C07 | C03 | N04 | C05 | 1.4° | 0.1° |
| N06 | C05 | N04 | C03 | 1.8° | 0.1° |
| N06 | C05 | N04 | H051 | 180.0° | 179.8° |
| C02 | C03 | N04 | C05 | 178.3° | 179.9° |
| C03 | C02 | N01 | H012 | 176.6° | 0.0° |
| C03 | C02 | N01 | H011 | 63.4° | 179.9° |
| N01 | C02 | C03 | N04 | 1.2° | 0.0° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
| C03 | N04 | C05 | H051 | 178.2° | 179.9° |
| H151 | C15 | C16 | H161 | 1.6° | 0.4° |
