H65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C02 | sing | 1.39Å | 1.35Å | |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.51Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| N01 | C06 | sing | 1.32Å | 1.34Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C09 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N11 | doub | 1.32Å | 1.33Å | Aromatic |
| N11 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C24 | sing | 1.51Å | 1.49Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N21 | sing | 1.47Å | 1.48Å | |
| N21 | C26 | sing | 1.47Å | 1.47Å | |
| N21 | C27 | sing | 1.47Å | 1.48Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N02 | H022 | sing | 0.97Å | 1.00Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C02 | C03 | 119.6° | 119.7° |
| N02 | C02 | N01 | 119.9° | 119.7° |
| C02 | N02 | H021 | 109.5° | 120.0° |
| C02 | N02 | H022 | 109.5° | 120.0° |
| C03 | C02 | N01 | 120.5° | 120.6° |
| C02 | C03 | C04 | 119.6° | 119.1° |
| C02 | C03 | H03 | 120.2° | 120.5° |
| C02 | N01 | C06 | 121.2° | 121.6° |
| C03 | C04 | C05 | 118.8° | 118.5° |
| C03 | C04 | C07 | 120.5° | 120.8° |
| C04 | C03 | H03 | 120.2° | 120.4° |
| C05 | C04 | C07 | 120.8° | 120.8° |
| C04 | C05 | C06 | 120.2° | 119.3° |
| C04 | C05 | H05 | 119.9° | 120.3° |
| C04 | C07 | H071 | 109.5° | 109.5° |
| C04 | C07 | H072 | 109.5° | 109.5° |
| C04 | C07 | H073 | 109.5° | 109.5° |
| C05 | C06 | N01 | 119.7° | 120.9° |
| C05 | C06 | C08 | 120.2° | 119.6° |
| C06 | C05 | H05 | 119.9° | 120.3° |
| N01 | C06 | C08 | 120.1° | 119.6° |
| C06 | C08 | C09 | 100.7° | 109.5° |
| C06 | C08 | H081 | 111.6° | 109.5° |
| C06 | C08 | H082 | 111.6° | 109.5° |
| C08 | C09 | C13 | 119.9° | 109.5° |
| C09 | C08 | H081 | 111.6° | 109.5° |
| C09 | C08 | H082 | 111.6° | 109.5° |
| C08 | C09 | H091 | 106.8° | 109.5° |
| C08 | C09 | H092 | 106.8° | 109.4° |
| C09 | C13 | C12 | 116.9° | 120.4° |
| C09 | C13 | C14 | 123.5° | 120.4° |
| C13 | C09 | H091 | 106.8° | 109.5° |
| C13 | C09 | H092 | 106.8° | 109.5° |
| C12 | C13 | C14 | 119.6° | 119.2° |
| C13 | C12 | N11 | 121.3° | 120.7° |
| C13 | C12 | H12 | 119.4° | 119.6° |
| C13 | C14 | C15 | 118.2° | 118.4° |
| C13 | C14 | H14 | 120.9° | 120.8° |
| C12 | N11 | C16 | 120.3° | 121.7° |
| N11 | C12 | H12 | 119.3° | 119.7° |
| N11 | C16 | C15 | 121.4° | 120.8° |
| N11 | C16 | H16 | 119.3° | 119.6° |
| C16 | C15 | C14 | 119.3° | 119.2° |
| C16 | C15 | C24 | 119.2° | 120.4° |
| C15 | C16 | H16 | 119.3° | 119.6° |
| C14 | C15 | C24 | 121.6° | 120.4° |
| C15 | C14 | H14 | 120.9° | 120.8° |
| C15 | C24 | C25 | 111.8° | 109.5° |
| C15 | C24 | C23 | 109.8° | 109.5° |
| C15 | C24 | H24 | 109.6° | 109.5° |
| C25 | C24 | C23 | 107.4° | 109.2° |
| C24 | C25 | C26 | 109.1° | 109.3° |
| C25 | C24 | H24 | 109.1° | 109.5° |
| C24 | C25 | H251 | 109.6° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C23 | C22 | 110.6° | 109.2° |
| C23 | C24 | H24 | 109.1° | 109.6° |
| C24 | C23 | H231 | 109.2° | 109.5° |
| C24 | C23 | H232 | 109.2° | 109.5° |
| C25 | C26 | N21 | 111.0° | 109.5° |
| C26 | C25 | H251 | 109.5° | 109.5° |
| C26 | C25 | H252 | 109.6° | 109.5° |
| C25 | C26 | H261 | 109.1° | 109.5° |
| C25 | C26 | H262 | 109.1° | 109.5° |
| C23 | C22 | N21 | 111.3° | 109.5° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C22 | C23 | H232 | 109.2° | 109.5° |
| C23 | C22 | H221 | 109.0° | 109.4° |
| C23 | C22 | H222 | 109.0° | 109.4° |
| C22 | N21 | C26 | 110.1° | 111.2° |
| C22 | N21 | C27 | 110.2° | 111.0° |
| N21 | C22 | H221 | 109.0° | 109.5° |
| N21 | C22 | H222 | 109.0° | 109.5° |
| C26 | N21 | C27 | 109.7° | 111.0° |
| N21 | C26 | H261 | 109.1° | 109.4° |
| N21 | C26 | H262 | 109.1° | 109.4° |
| N21 | C27 | H271 | 109.5° | 109.5° |
| N21 | C27 | H272 | 109.5° | 109.5° |
| N21 | C27 | H273 | 109.5° | 109.5° |
| H021 | N02 | H022 | 109.4° | 120.0° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H071 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.4° |
| H081 | C08 | H082 | 109.4° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.6° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C02 | C03 | N01 | 179.2° | 180.0° |
| N02 | C02 | C03 | C04 | 179.5° | 180.0° |
| N02 | C02 | N01 | C06 | 179.5° | 179.9° |
| C02 | N02 | H021 | H022 | 120.0° | 180.0° |
| N02 | C02 | C03 | H03 | 0.5° | 0.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | C07 | 179.7° | 180.0° |
| C03 | C02 | N01 | C06 | 1.3° | 0.0° |
| C03 | C02 | N02 | H021 | 179.2° | 0.0° |
| C03 | C02 | N02 | H022 | 59.2° | 180.0° |
| N01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | N01 | C06 | C05 | 1.8° | 0.0° |
| C02 | N01 | C06 | C08 | 178.4° | 179.9° |
| N01 | C02 | N02 | H021 | 0.0° | 180.0° |
| N01 | C02 | N02 | H022 | 120.0° | 0.0° |
| N01 | C02 | C03 | H03 | 179.7° | 180.0° |
| C03 | C04 | C05 | C07 | 179.7° | 180.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | H05 | 179.5° | 179.9° |
| C03 | C04 | C07 | H071 | 90.2° | 90.0° |
| C03 | C04 | C07 | H072 | 149.8° | 150.0° |
| C03 | C04 | C07 | H073 | 29.8° | 30.0° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C04 | C05 | C06 | N01 | 1.4° | 0.1° |
| C04 | C05 | C06 | C08 | 178.0° | 179.9° |
| C05 | C04 | C03 | H03 | 180.0° | 180.0° |
| C05 | C04 | C07 | H071 | 90.2° | 90.0° |
| C05 | C04 | C07 | H072 | 29.8° | 30.0° |
| C05 | C04 | C07 | H073 | 149.8° | 150.0° |
| C07 | C04 | C05 | C06 | 179.2° | 179.9° |
| C07 | C04 | C03 | H03 | 0.3° | 0.0° |
| C07 | C04 | C05 | H05 | 0.8° | 0.1° |
| C04 | C07 | H071 | H072 | 120.0° | 120.1° |
| C04 | C07 | H071 | H073 | 120.0° | 120.0° |
| C04 | C07 | H072 | H073 | 120.0° | 120.0° |
| C05 | C06 | N01 | C08 | 176.6° | 179.9° |
| C05 | C06 | C08 | C09 | 78.6° | 124.9° |
| C05 | C06 | C08 | H081 | 162.8° | 115.1° |
| C05 | C06 | C08 | H082 | 40.0° | 4.9° |
| N01 | C06 | C08 | C09 | 98.0° | 55.0° |
| N01 | C06 | C05 | H05 | 178.6° | 180.0° |
| N01 | C06 | C08 | H081 | 20.6° | 65.1° |
| N01 | C06 | C08 | H082 | 143.5° | 175.0° |
| C06 | C08 | C09 | H081 | 118.6° | 120.0° |
| C06 | C08 | C09 | H082 | 118.6° | 120.0° |
| C06 | C08 | C09 | C13 | 170.9° | 180.0° |
| C08 | C06 | C05 | H05 | 2.0° | 0.2° |
| C06 | C08 | H081 | H082 | 124.1° | 120.0° |
| C06 | C08 | C09 | H091 | 67.6° | 60.0° |
| C06 | C08 | C09 | H092 | 49.4° | 60.0° |
| C08 | C09 | C13 | H091 | 121.5° | 120.0° |
| C08 | C09 | C13 | H092 | 121.4° | 120.0° |
| C08 | C09 | C13 | C12 | 166.6° | 90.0° |
| C08 | C09 | C13 | C14 | 13.8° | 90.0° |
| C09 | C08 | H081 | H082 | 124.1° | 120.0° |
| C08 | C09 | H091 | H092 | 115.3° | 120.0° |
| C09 | C13 | C12 | C14 | 179.6° | 180.0° |
| C09 | C13 | C12 | N11 | 179.8° | 180.0° |
| C09 | C13 | C14 | C15 | 179.6° | 179.9° |
| C13 | C09 | C08 | H081 | 52.3° | 60.0° |
| C13 | C09 | C08 | H082 | 70.6° | 60.0° |
| C13 | C09 | H091 | H092 | 115.3° | 120.0° |
| C09 | C13 | C12 | H12 | 0.2° | 0.0° |
| C09 | C13 | C14 | H14 | 0.4° | 0.0° |
| C13 | C12 | N11 | H12 | 180.0° | 180.0° |
| C13 | C12 | N11 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C09 | H091 | 71.9° | 30.0° |
| C12 | C13 | C09 | H092 | 45.1° | 150.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 0.2° | 0.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C24 | 179.6° | 180.0° |
| C14 | C13 | C09 | H091 | 107.7° | 150.0° |
| C14 | C13 | C09 | H092 | 135.3° | 30.0° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| C12 | N11 | C16 | C15 | 0.1° | 0.0° |
| C12 | N11 | C16 | H16 | 179.9° | 180.0° |
| N11 | C16 | C15 | H16 | 180.0° | 179.9° |
| N11 | C16 | C15 | C14 | 0.3° | 0.0° |
| N11 | C16 | C15 | C24 | 179.7° | 180.0° |
| C16 | N11 | C12 | H12 | 179.9° | 180.0° |
| C16 | C15 | C14 | C24 | 179.4° | 180.0° |
| C16 | C15 | C24 | C25 | 149.6° | 60.0° |
| C16 | C15 | C24 | C23 | 91.3° | 59.7° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C16 | C15 | C24 | H24 | 28.5° | 179.9° |
| C14 | C15 | C24 | C25 | 31.0° | 120.0° |
| C14 | C15 | C24 | C23 | 88.1° | 120.3° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| C14 | C15 | C24 | H24 | 152.1° | 0.1° |
| C15 | C24 | C25 | C23 | 120.5° | 119.9° |
| C15 | C24 | C25 | H24 | 121.3° | 120.1° |
| C15 | C24 | C23 | H24 | 120.1° | 120.2° |
| C15 | C24 | C25 | C26 | 179.8° | 177.6° |
| C15 | C24 | C23 | C22 | 179.9° | 177.6° |
| C24 | C15 | C14 | H14 | 0.4° | 0.1° |
| C24 | C15 | C16 | H16 | 0.3° | 0.0° |
| C15 | C24 | C25 | H251 | 60.2° | 57.6° |
| C15 | C24 | C25 | H252 | 59.9° | 62.5° |
| C15 | C24 | C23 | H231 | 59.9° | 62.6° |
| C15 | C24 | C23 | H232 | 59.7° | 57.6° |
| C25 | C24 | C23 | H24 | 118.1° | 119.9° |
| C24 | C25 | C26 | H251 | 119.9° | 120.0° |
| C24 | C25 | C26 | H252 | 119.9° | 120.0° |
| C25 | C24 | C23 | C22 | 58.1° | 57.7° |
| C24 | C25 | C26 | N21 | 61.4° | 59.2° |
| C24 | C25 | H251 | H252 | 120.2° | 120.1° |
| C25 | C24 | C23 | H231 | 178.3° | 177.5° |
| C25 | C24 | C23 | H232 | 62.0° | 62.3° |
| C24 | C25 | C26 | H261 | 178.3° | 179.1° |
| C24 | C25 | C26 | H262 | 58.8° | 60.8° |
| C23 | C24 | C25 | C26 | 59.6° | 57.7° |
| C24 | C23 | C22 | H231 | 120.1° | 119.9° |
| C24 | C23 | C22 | H232 | 120.1° | 119.9° |
| C24 | C23 | C22 | N21 | 57.6° | 59.2° |
| C23 | C24 | C25 | H251 | 60.3° | 62.3° |
| C23 | C24 | C25 | H252 | 179.5° | 177.6° |
| C24 | C23 | H231 | H232 | 119.5° | 120.1° |
| C24 | C23 | C22 | H221 | 62.7° | 60.8° |
| C24 | C23 | C22 | H222 | 177.8° | 179.2° |
| C25 | C26 | N21 | C22 | 59.2° | 61.7° |
| C25 | C26 | N21 | H261 | 120.2° | 120.0° |
| C25 | C26 | N21 | H262 | 120.3° | 120.0° |
| C25 | C26 | N21 | C27 | 179.4° | 174.2° |
| C26 | C25 | C24 | H24 | 58.5° | 62.3° |
| C26 | C25 | H251 | H252 | 120.2° | 120.0° |
| C25 | C26 | H261 | H262 | 119.3° | 120.0° |
| C23 | C22 | N21 | H221 | 120.3° | 120.0° |
| C23 | C22 | N21 | H222 | 120.2° | 120.0° |
| C23 | C22 | N21 | C26 | 56.9° | 61.8° |
| C23 | C22 | N21 | C27 | 178.1° | 174.2° |
| C22 | C23 | C24 | H24 | 60.0° | 62.3° |
| C22 | C23 | H231 | H232 | 119.5° | 120.1° |
| C23 | C22 | H221 | H222 | 119.2° | 119.9° |
| C22 | N21 | C26 | C27 | 121.4° | 124.1° |
| N21 | C22 | C23 | H231 | 177.7° | 179.1° |
| N21 | C22 | C23 | H232 | 62.6° | 60.7° |
| C22 | N21 | C26 | H261 | 179.4° | 178.2° |
| C22 | N21 | C26 | H262 | 61.1° | 58.3° |
| N21 | C22 | H221 | H222 | 119.2° | 120.0° |
| C22 | N21 | C27 | H271 | 180.0° | 60.1° |
| C22 | N21 | C27 | H272 | 60.0° | 180.0° |
| C22 | N21 | C27 | H273 | 60.0° | 60.0° |
| N21 | C26 | C25 | H251 | 58.5° | 60.8° |
| N21 | C26 | C25 | H252 | 178.7° | 179.1° |
| N21 | C26 | H261 | H262 | 119.3° | 119.9° |
| C26 | N21 | C22 | H221 | 63.3° | 58.2° |
| C26 | N21 | C22 | H222 | 177.2° | 178.3° |
| C26 | N21 | C27 | H271 | 58.6° | 175.7° |
| C26 | N21 | C27 | H272 | 61.4° | 55.8° |
| C26 | N21 | C27 | H273 | 178.6° | 64.2° |
| C27 | N21 | C26 | H261 | 59.2° | 54.2° |
| C27 | N21 | C26 | H262 | 60.3° | 65.8° |
| C27 | N21 | C22 | H221 | 57.8° | 65.8° |
| C27 | N21 | C22 | H222 | 61.6° | 54.2° |
| N21 | C27 | H271 | H272 | 120.0° | 119.9° |
| N21 | C27 | H271 | H273 | 120.0° | 120.1° |
| N21 | C27 | H272 | H273 | 120.0° | 120.0° |
| H071 | C07 | H072 | H073 | 120.0° | 120.0° |
| H081 | C08 | C09 | H091 | 173.8° | 180.0° |
| H081 | C08 | C09 | H092 | 69.2° | 60.0° |
| H082 | C08 | C09 | H091 | 50.9° | 60.0° |
| H082 | C08 | C09 | H092 | 168.0° | 180.0° |
| H24 | C24 | C25 | H251 | 178.5° | 177.8° |
| H24 | C24 | C25 | H252 | 61.4° | 57.6° |
| H24 | C24 | C23 | H231 | 60.2° | 57.6° |
| H24 | C24 | C23 | H232 | 179.8° | 177.8° |
| H251 | C25 | C26 | H261 | 61.7° | 59.2° |
| H251 | C25 | C26 | H262 | 178.8° | 179.2° |
| H252 | C25 | C26 | H261 | 58.4° | 60.9° |
| H252 | C25 | C26 | H262 | 61.1° | 59.1° |
| H231 | C23 | C22 | H221 | 57.5° | 59.1° |
| H231 | C23 | C22 | H222 | 62.0° | 60.9° |
| H232 | C23 | C22 | H221 | 177.2° | 179.3° |
| H232 | C23 | C22 | H222 | 57.7° | 59.3° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
