W64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C02 | N01 | sing | 1.32Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C13 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N11 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N21 | sing | 1.40Å | 1.40Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | N11 | sing | 1.32Å | 1.34Å | Aromatic |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| N21 | C26 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | N24 | sing | 1.47Å | 1.48Å | |
| N24 | C27 | sing | 1.47Å | 1.47Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N02 | H022 | sing | 0.97Å | 1.00Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C05 | 120.5° | 120.8° |
| C07 | C04 | C03 | 120.4° | 120.8° |
| C04 | C07 | H071 | 109.5° | 109.5° |
| C04 | C07 | H072 | 109.4° | 109.5° |
| C04 | C07 | H073 | 109.5° | 109.5° |
| C05 | C06 | N01 | 119.6° | 120.9° |
| C05 | C06 | C08 | 119.3° | 119.6° |
| C06 | C05 | C04 | 120.5° | 119.4° |
| C06 | C05 | H05 | 119.8° | 120.3° |
| N01 | C06 | C08 | 121.0° | 119.6° |
| C06 | N01 | C02 | 120.4° | 121.6° |
| C06 | C08 | C09 | 105.8° | 109.4° |
| C06 | C08 | H081 | 110.4° | 109.5° |
| C06 | C08 | H082 | 110.4° | 109.4° |
| C05 | C04 | C03 | 119.1° | 118.4° |
| C04 | C05 | H05 | 119.7° | 120.3° |
| C04 | C03 | C02 | 119.1° | 119.1° |
| C04 | C03 | H03 | 120.5° | 120.4° |
| C03 | C02 | N02 | 118.4° | 119.7° |
| C03 | C02 | N01 | 121.3° | 120.6° |
| C02 | C03 | H03 | 120.5° | 120.4° |
| N02 | C02 | N01 | 120.3° | 119.7° |
| C02 | N02 | H021 | 109.5° | 120.0° |
| C02 | N02 | H022 | 109.5° | 120.0° |
| C08 | C09 | C13 | 115.3° | 109.5° |
| C09 | C08 | H081 | 110.4° | 109.5° |
| C09 | C08 | H082 | 110.4° | 109.4° |
| C08 | C09 | H091 | 108.0° | 109.5° |
| C08 | C09 | H092 | 108.0° | 109.5° |
| C09 | C13 | C14 | 121.4° | 120.4° |
| C09 | C13 | C12 | 119.3° | 120.4° |
| C13 | C09 | H091 | 108.0° | 109.5° |
| C13 | C09 | H092 | 108.0° | 109.4° |
| C15 | C16 | N11 | 120.5° | 120.7° |
| C16 | C15 | C14 | 119.3° | 119.0° |
| C16 | C15 | N21 | 120.3° | 120.5° |
| C15 | C16 | H16 | 119.7° | 119.7° |
| C16 | N11 | C12 | 121.2° | 121.8° |
| N11 | C16 | H16 | 119.8° | 119.6° |
| C14 | C15 | N21 | 120.4° | 120.5° |
| C15 | C14 | C13 | 119.1° | 118.3° |
| C15 | C14 | H14 | 120.5° | 120.8° |
| C15 | N21 | C22 | 112.3° | 111.0° |
| C15 | N21 | C26 | 110.7° | 111.0° |
| C14 | C13 | C12 | 119.3° | 119.3° |
| C13 | C14 | H14 | 120.5° | 120.8° |
| C13 | C12 | N11 | 120.6° | 121.0° |
| C13 | C12 | H12 | 119.7° | 119.5° |
| N11 | C12 | H12 | 119.7° | 119.5° |
| C22 | N21 | C26 | 108.9° | 110.9° |
| N21 | C22 | C23 | 105.3° | 109.4° |
| N21 | C22 | H221 | 110.5° | 109.5° |
| N21 | C22 | H222 | 110.5° | 109.5° |
| N21 | C26 | C25 | 103.5° | 109.4° |
| N21 | C26 | H261 | 110.9° | 109.5° |
| N21 | C26 | H262 | 110.9° | 109.5° |
| C22 | C23 | N24 | 111.9° | 109.4° |
| C23 | C22 | H221 | 110.5° | 109.5° |
| C23 | C22 | H222 | 110.5° | 109.5° |
| C22 | C23 | H231 | 108.9° | 109.5° |
| C22 | C23 | H232 | 108.9° | 109.5° |
| C23 | N24 | C27 | 109.9° | 111.0° |
| C23 | N24 | C25 | 110.5° | 110.9° |
| N24 | C23 | H231 | 108.9° | 109.5° |
| N24 | C23 | H232 | 108.9° | 109.5° |
| C27 | N24 | C25 | 107.8° | 111.0° |
| N24 | C27 | H271 | 109.5° | 109.5° |
| N24 | C27 | H272 | 109.5° | 109.5° |
| N24 | C27 | H273 | 109.5° | 109.5° |
| N24 | C25 | C26 | 109.7° | 109.4° |
| N24 | C25 | H251 | 109.4° | 109.5° |
| N24 | C25 | H252 | 109.4° | 109.5° |
| C25 | C26 | H261 | 110.9° | 109.4° |
| C25 | C26 | H262 | 110.9° | 109.5° |
| C26 | C25 | H251 | 109.4° | 109.5° |
| C26 | C25 | H252 | 109.4° | 109.4° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H071 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.4° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H021 | N02 | H022 | 109.4° | 120.0° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C05 | C06 | 179.9° | 180.0° |
| C07 | C04 | C05 | C03 | 179.6° | 179.9° |
| C07 | C04 | C03 | C02 | 179.8° | 180.0° |
| C04 | C07 | H071 | H072 | 120.0° | 120.0° |
| C04 | C07 | H071 | H073 | 120.0° | 120.0° |
| C04 | C07 | H072 | H073 | 120.0° | 120.0° |
| C07 | C04 | C05 | H05 | 0.1° | 0.1° |
| C07 | C04 | C03 | H03 | 0.3° | 0.1° |
| C05 | C06 | N01 | C08 | 178.9° | 180.0° |
| C06 | C05 | C04 | H05 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.5° | 0.0° |
| C05 | C06 | N01 | C02 | 0.1° | 0.0° |
| C05 | C06 | C08 | C09 | 76.7° | 125.0° |
| C05 | C06 | C08 | H081 | 163.9° | 115.0° |
| C05 | C06 | C08 | H082 | 42.8° | 5.1° |
| N01 | C06 | C05 | C04 | 0.3° | 0.0° |
| C06 | N01 | C02 | C03 | 0.2° | 0.0° |
| C06 | N01 | C02 | N02 | 179.9° | 180.0° |
| N01 | C06 | C08 | C09 | 102.2° | 55.1° |
| N01 | C06 | C05 | H05 | 179.8° | 180.0° |
| N01 | C06 | C08 | H081 | 17.2° | 65.0° |
| N01 | C06 | C08 | H082 | 138.4° | 175.0° |
| C08 | C06 | C05 | C04 | 178.6° | 180.0° |
| C08 | C06 | N01 | C02 | 178.8° | 180.0° |
| C06 | C08 | C09 | H081 | 119.4° | 120.0° |
| C06 | C08 | C09 | H082 | 119.4° | 119.9° |
| C06 | C08 | C09 | C13 | 163.7° | 180.0° |
| C08 | C06 | C05 | H05 | 1.3° | 0.0° |
| C06 | C08 | H081 | H082 | 121.7° | 120.0° |
| C06 | C08 | C09 | H091 | 75.4° | 59.9° |
| C06 | C08 | C09 | H092 | 42.9° | 60.1° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C05 | C04 | C07 | H071 | 89.8° | 90.0° |
| C05 | C04 | C07 | H072 | 150.2° | 30.0° |
| C05 | C04 | C07 | H073 | 30.2° | 150.0° |
| C05 | C04 | C03 | H03 | 179.4° | 180.0° |
| C04 | C03 | C02 | H03 | 180.0° | 180.0° |
| C04 | C03 | C02 | N02 | 179.6° | 179.9° |
| C04 | C03 | C02 | N01 | 0.4° | 0.0° |
| C03 | C04 | C07 | H071 | 89.8° | 90.0° |
| C03 | C04 | C07 | H072 | 30.2° | 150.0° |
| C03 | C04 | C07 | H073 | 150.2° | 30.1° |
| C03 | C04 | C05 | H05 | 179.5° | 180.0° |
| C03 | C02 | N02 | N01 | 179.9° | 180.0° |
| C03 | C02 | N02 | H021 | 179.9° | 180.0° |
| C03 | C02 | N02 | H022 | 60.1° | 0.0° |
| N02 | C02 | C03 | H03 | 0.4° | 0.0° |
| C02 | N02 | H021 | H022 | 120.0° | 180.0° |
| N01 | C02 | C03 | H03 | 179.5° | 180.0° |
| N01 | C02 | N02 | H021 | 0.0° | 0.1° |
| N01 | C02 | N02 | H022 | 120.0° | 180.0° |
| C08 | C09 | C13 | H091 | 120.8° | 120.1° |
| C08 | C09 | C13 | H092 | 120.8° | 120.0° |
| C08 | C09 | C13 | C14 | 22.8° | 90.0° |
| C08 | C09 | C13 | C12 | 157.6° | 90.0° |
| C09 | C08 | H081 | H082 | 121.7° | 120.0° |
| C08 | C09 | H091 | H092 | 117.3° | 120.0° |
| C09 | C13 | C14 | C15 | 179.8° | 180.0° |
| C09 | C13 | C14 | C12 | 179.6° | 180.0° |
| C09 | C13 | C12 | N11 | 179.9° | 180.0° |
| C13 | C09 | C08 | H081 | 44.3° | 60.0° |
| C13 | C09 | C08 | H082 | 76.9° | 60.1° |
| C13 | C09 | H091 | H092 | 117.4° | 119.9° |
| C09 | C13 | C14 | H14 | 0.2° | 0.0° |
| C09 | C13 | C12 | H12 | 0.1° | 0.1° |
| C15 | C16 | N11 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | N21 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | N11 | C12 | 0.3° | 0.0° |
| C16 | C15 | N21 | C22 | 76.4° | 0.0° |
| C16 | C15 | N21 | C26 | 161.6° | 123.8° |
| C16 | C15 | C14 | H14 | 179.9° | 180.0° |
| N11 | C16 | C15 | C14 | 0.2° | 0.0° |
| N11 | C16 | C15 | N21 | 179.9° | 180.0° |
| C16 | N11 | C12 | C13 | 0.4° | 0.1° |
| C16 | N11 | C12 | H12 | 179.6° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | N21 | C22 | 103.7° | 180.0° |
| C14 | C15 | N21 | C26 | 18.3° | 56.2° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| N21 | C15 | C14 | C13 | 180.0° | 180.0° |
| C15 | N21 | C22 | C26 | 122.9° | 123.9° |
| C15 | N21 | C22 | C23 | 168.7° | 176.8° |
| C15 | N21 | C26 | C25 | 163.4° | 176.8° |
| N21 | C15 | C16 | H16 | 0.1° | 0.1° |
| N21 | C15 | C14 | H14 | 0.0° | 0.1° |
| C15 | N21 | C22 | H221 | 49.3° | 56.8° |
| C15 | N21 | C22 | H222 | 72.0° | 63.2° |
| C15 | N21 | C26 | H261 | 77.6° | 63.2° |
| C15 | N21 | C26 | H262 | 44.3° | 56.8° |
| C14 | C13 | C12 | N11 | 0.3° | 0.1° |
| C14 | C13 | C09 | H091 | 98.0° | 149.9° |
| C14 | C13 | C09 | H092 | 143.6° | 30.0° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C13 | C12 | N11 | H12 | 180.0° | 179.9° |
| C12 | C13 | C09 | H091 | 81.6° | 30.1° |
| C12 | C13 | C09 | H092 | 36.8° | 150.0° |
| C12 | C13 | C14 | H14 | 179.8° | 179.9° |
| C12 | N11 | C16 | H16 | 179.7° | 179.9° |
| N21 | C22 | C23 | H221 | 119.4° | 120.0° |
| N21 | C22 | C23 | H222 | 119.3° | 120.0° |
| N21 | C22 | C23 | N24 | 56.7° | 58.4° |
| C22 | N21 | C26 | C25 | 72.7° | 59.3° |
| N21 | C22 | H221 | H222 | 121.9° | 120.1° |
| C22 | N21 | C26 | H261 | 46.4° | 60.7° |
| C22 | N21 | C26 | H262 | 168.2° | 179.3° |
| N21 | C22 | C23 | H231 | 63.6° | 61.6° |
| N21 | C22 | C23 | H232 | 177.1° | 178.3° |
| C26 | N21 | C22 | C23 | 68.4° | 59.3° |
| N21 | C26 | C25 | N24 | 65.1° | 58.4° |
| N21 | C26 | C25 | H261 | 119.1° | 120.0° |
| N21 | C26 | C25 | H262 | 119.1° | 120.0° |
| C26 | N21 | C22 | H221 | 172.3° | 179.3° |
| C26 | N21 | C22 | H222 | 51.0° | 60.7° |
| N21 | C26 | H261 | H262 | 122.7° | 120.1° |
| N21 | C26 | C25 | H251 | 54.9° | 178.4° |
| N21 | C26 | C25 | H252 | 174.9° | 61.6° |
| C22 | C23 | N24 | H231 | 120.4° | 119.9° |
| C22 | C23 | N24 | H232 | 120.4° | 120.0° |
| C22 | C23 | N24 | C27 | 171.4° | 176.8° |
| C22 | C23 | N24 | C25 | 52.6° | 59.3° |
| C23 | C22 | H221 | H222 | 121.9° | 120.0° |
| C22 | C23 | H231 | H232 | 118.9° | 120.1° |
| C23 | N24 | C27 | C25 | 120.5° | 123.8° |
| C23 | N24 | C25 | C26 | 56.6° | 59.3° |
| N24 | C23 | C22 | H221 | 176.1° | 178.4° |
| N24 | C23 | C22 | H222 | 62.6° | 61.7° |
| N24 | C23 | H231 | H232 | 118.9° | 120.0° |
| C23 | N24 | C27 | H271 | 180.0° | 60.0° |
| C23 | N24 | C27 | H272 | 60.0° | 179.9° |
| C23 | N24 | C27 | H273 | 60.0° | 60.1° |
| C23 | N24 | C25 | H251 | 63.4° | 179.3° |
| C23 | N24 | C25 | H252 | 176.6° | 60.7° |
| C27 | N24 | C25 | C26 | 176.8° | 176.8° |
| C27 | N24 | C23 | H231 | 51.1° | 63.2° |
| C27 | N24 | C23 | H232 | 68.2° | 56.8° |
| N24 | C27 | H271 | H272 | 120.0° | 120.0° |
| N24 | C27 | H271 | H273 | 120.0° | 120.0° |
| N24 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | N24 | C25 | H251 | 56.8° | 56.8° |
| C27 | N24 | C25 | H252 | 63.2° | 63.2° |
| N24 | C25 | C26 | H251 | 120.0° | 120.0° |
| N24 | C25 | C26 | H252 | 120.0° | 120.0° |
| N24 | C25 | C26 | H261 | 54.0° | 61.6° |
| N24 | C25 | C26 | H262 | 175.9° | 178.4° |
| C25 | N24 | C23 | H231 | 67.8° | 60.7° |
| C25 | N24 | C23 | H232 | 173.0° | 179.3° |
| C25 | N24 | C27 | H271 | 59.5° | 176.2° |
| C25 | N24 | C27 | H272 | 60.5° | 56.2° |
| C25 | N24 | C27 | H273 | 179.5° | 63.8° |
| N24 | C25 | H251 | H252 | 119.9° | 120.1° |
| C25 | C26 | H261 | H262 | 122.7° | 120.0° |
| C26 | C25 | H251 | H252 | 119.9° | 120.0° |
| H071 | C07 | H072 | H073 | 120.0° | 120.0° |
| H081 | C08 | C09 | H091 | 165.1° | 179.9° |
| H081 | C08 | C09 | H092 | 76.6° | 60.0° |
| H082 | C08 | C09 | H091 | 44.0° | 60.0° |
| H082 | C08 | C09 | H092 | 162.3° | 180.0° |
| H221 | C22 | C23 | H231 | 55.7° | 58.4° |
| H221 | C22 | C23 | H232 | 63.6° | 61.7° |
| H222 | C22 | C23 | H231 | 177.0° | 178.4° |
| H222 | C22 | C23 | H232 | 57.7° | 58.3° |
| H261 | C26 | C25 | H251 | 174.0° | 58.4° |
| H261 | C26 | C25 | H252 | 66.0° | 178.4° |
| H262 | C26 | C25 | H251 | 64.1° | 61.6° |
| H262 | C26 | C25 | H252 | 55.9° | 58.4° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
