1Y5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| N32 | C33 | sing | 1.47Å | 1.46Å | |
| C33 | C42 | sing | 1.51Å | 1.51Å | |
| C37 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| N32 | H36 | sing | 1.01Å | 1.00Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.08Å | 1.08Å | |
| C39 | H45 | sing | 1.08Å | 1.08Å | |
| C40 | H46 | sing | 1.08Å | 1.08Å | |
| C41 | H47 | sing | 1.08Å | 1.08Å | |
| N32 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C36 | 109.1° | 108.4° |
| C35 | C34 | C33 | 111.3° | 108.4° |
| C35 | C34 | H38 | 109.0° | 109.6° |
| C35 | C34 | H39 | 109.0° | 109.7° |
| C34 | C35 | H40 | 109.5° | 109.7° |
| C34 | C35 | H41 | 109.6° | 109.7° |
| C35 | C36 | C37 | 110.1° | 110.6° |
| C36 | C35 | H40 | 109.6° | 109.7° |
| C36 | C35 | H41 | 109.6° | 109.7° |
| C35 | C36 | H42 | 109.3° | 109.2° |
| C35 | C36 | H43 | 109.3° | 109.3° |
| C34 | C33 | N32 | 110.6° | 109.3° |
| C34 | C33 | C42 | 114.1° | 110.6° |
| C34 | C33 | H37 | 107.4° | 109.2° |
| C33 | C34 | H38 | 109.0° | 109.7° |
| C33 | C34 | H39 | 109.0° | 109.7° |
| C36 | C37 | C42 | 121.6° | 122.6° |
| C36 | C37 | C38 | 118.5° | 117.7° |
| C37 | C36 | H42 | 109.3° | 109.3° |
| C37 | C36 | H43 | 109.3° | 109.2° |
| N32 | C33 | C42 | 108.3° | 109.2° |
| C33 | N32 | H36 | 109.5° | 111.0° |
| N32 | C33 | H37 | 108.4° | 109.2° |
| C33 | N32 | H2 | 109.5° | 111.0° |
| C33 | C42 | C37 | 122.5° | 122.6° |
| C33 | C42 | C41 | 117.9° | 117.8° |
| C42 | C33 | H37 | 107.8° | 109.3° |
| C42 | C37 | C38 | 119.9° | 119.7° |
| C37 | C42 | C41 | 119.6° | 119.7° |
| C37 | C38 | C39 | 120.6° | 120.5° |
| C37 | C38 | H44 | 119.7° | 119.7° |
| C42 | C41 | C40 | 120.3° | 120.6° |
| C42 | C41 | H47 | 119.9° | 119.8° |
| C38 | C39 | C40 | 119.4° | 119.8° |
| C39 | C38 | H44 | 119.7° | 119.7° |
| C38 | C39 | H45 | 120.3° | 120.1° |
| C41 | C40 | C39 | 120.3° | 119.7° |
| C41 | C40 | H46 | 119.9° | 120.1° |
| C40 | C41 | H47 | 119.8° | 119.7° |
| C40 | C39 | H45 | 120.3° | 120.1° |
| C39 | C40 | H46 | 119.9° | 120.1° |
| H36 | N32 | H2 | 109.5° | 111.0° |
| H38 | C34 | H39 | 109.5° | 109.7° |
| H40 | C35 | H41 | 109.5° | 109.7° |
| H42 | C36 | H43 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C36 | H40 | 119.9° | 119.8° |
| C34 | C35 | C36 | H41 | 119.9° | 119.7° |
| C35 | C34 | C33 | H38 | 120.3° | 119.7° |
| C35 | C34 | C33 | H39 | 120.3° | 119.8° |
| C34 | C35 | C36 | C37 | 56.1° | 51.1° |
| C35 | C34 | C33 | N32 | 85.7° | 171.3° |
| C35 | C34 | C33 | C42 | 36.8° | 51.0° |
| C35 | C34 | C33 | H37 | 156.2° | 69.3° |
| C35 | C34 | H38 | H39 | 119.2° | 120.6° |
| C34 | C35 | H40 | H41 | 120.2° | 120.5° |
| C34 | C35 | C36 | H42 | 176.2° | 69.2° |
| C34 | C35 | C36 | H43 | 64.0° | 171.3° |
| C36 | C35 | C34 | C33 | 62.8° | 69.9° |
| C35 | C36 | C37 | H42 | 120.1° | 120.3° |
| C35 | C36 | C37 | H43 | 120.1° | 120.3° |
| C35 | C36 | C37 | C42 | 26.1° | 17.6° |
| C35 | C36 | C37 | C38 | 154.8° | 162.5° |
| C36 | C35 | C34 | H38 | 57.4° | 49.8° |
| C36 | C35 | C34 | H39 | 176.9° | 170.3° |
| C36 | C35 | H40 | H41 | 120.2° | 120.5° |
| C35 | C36 | H42 | H43 | 119.7° | 119.5° |
| C34 | C33 | N32 | C42 | 125.8° | 121.1° |
| C34 | C33 | N32 | H37 | 117.5° | 119.4° |
| C34 | C33 | C42 | H37 | 119.2° | 120.3° |
| C34 | C33 | C42 | C37 | 5.8° | 17.6° |
| C34 | C33 | C42 | C41 | 175.9° | 162.5° |
| C34 | C33 | N32 | H36 | 180.0° | 178.9° |
| C33 | C34 | H38 | H39 | 119.2° | 120.5° |
| C33 | C34 | C35 | H40 | 57.1° | 170.3° |
| C33 | C34 | C35 | H41 | 177.2° | 49.8° |
| C34 | C33 | N32 | H2 | 60.0° | 54.9° |
| C36 | C37 | C42 | C33 | 0.7° | 0.4° |
| C36 | C37 | C42 | C38 | 179.1° | 179.9° |
| C36 | C37 | C42 | C41 | 178.9° | 179.7° |
| C36 | C37 | C38 | C39 | 179.8° | 179.7° |
| C37 | C36 | C35 | H40 | 63.8° | 170.8° |
| C37 | C36 | C35 | H41 | 176.1° | 68.7° |
| C37 | C36 | H42 | H43 | 119.7° | 119.4° |
| C36 | C37 | C38 | H44 | 0.2° | 0.2° |
| N32 | C33 | C42 | H37 | 117.1° | 119.4° |
| N32 | C33 | C42 | C37 | 117.9° | 137.9° |
| N32 | C33 | C42 | C41 | 60.4° | 42.2° |
| C33 | N32 | H36 | H2 | 120.0° | 123.9° |
| N32 | C33 | C34 | H38 | 154.1° | 51.6° |
| N32 | C33 | C34 | H39 | 34.6° | 68.9° |
| C33 | C42 | C37 | C41 | 178.3° | 179.9° |
| C33 | C42 | C37 | C38 | 179.7° | 179.6° |
| C33 | C42 | C41 | C40 | 179.9° | 179.7° |
| C42 | C33 | N32 | H36 | 54.2° | 60.0° |
| C42 | C33 | C34 | H38 | 83.5° | 68.6° |
| C42 | C33 | C34 | H39 | 157.1° | 170.9° |
| C33 | C42 | C41 | H47 | 0.1° | 0.3° |
| C42 | C33 | N32 | H2 | 174.2° | 176.0° |
| C42 | C37 | C38 | C39 | 1.1° | 0.2° |
| C37 | C42 | C41 | C40 | 1.5° | 0.2° |
| C37 | C42 | C33 | H37 | 125.0° | 102.7° |
| C42 | C37 | C36 | H42 | 146.2° | 102.7° |
| C42 | C37 | C36 | H43 | 94.0° | 137.9° |
| C42 | C37 | C38 | H44 | 178.9° | 179.8° |
| C37 | C42 | C41 | H47 | 178.5° | 179.8° |
| C38 | C37 | C42 | C41 | 2.0° | 0.3° |
| C37 | C38 | C39 | H44 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C38 | C37 | C36 | H42 | 34.7° | 77.3° |
| C38 | C37 | C36 | H43 | 85.1° | 42.2° |
| C37 | C38 | C39 | H45 | 179.8° | 180.0° |
| C42 | C41 | C40 | H47 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.2° | 0.0° |
| C41 | C42 | C33 | H37 | 56.7° | 77.2° |
| C42 | C41 | C40 | H46 | 179.8° | 180.0° |
| C38 | C39 | C40 | C41 | 0.7° | 0.1° |
| C38 | C39 | C40 | H45 | 180.0° | 180.0° |
| C38 | C39 | C40 | H46 | 179.3° | 179.9° |
| C41 | C40 | C39 | H46 | 180.0° | 180.0° |
| C41 | C40 | C39 | H45 | 179.3° | 179.9° |
| C40 | C39 | C38 | H44 | 179.8° | 180.0° |
| C39 | C40 | C41 | H47 | 179.8° | 180.0° |
| H36 | N32 | C33 | H37 | 62.5° | 59.4° |
| H37 | C33 | C34 | H38 | 36.0° | 171.1° |
| H37 | C33 | C34 | H39 | 83.5° | 50.5° |
| H37 | C33 | N32 | H2 | 57.5° | 64.5° |
| H38 | C34 | C35 | H40 | 177.4° | 70.0° |
| H38 | C34 | C35 | H41 | 62.5° | 169.5° |
| H39 | C34 | C35 | H40 | 63.2° | 50.5° |
| H39 | C34 | C35 | H41 | 57.0° | 70.0° |
| H40 | C35 | C36 | H42 | 56.3° | 50.5° |
| H40 | C35 | C36 | H43 | 176.1° | 68.9° |
| H41 | C35 | C36 | H42 | 63.8° | 171.1° |
| H41 | C35 | C36 | H43 | 56.0° | 51.6° |
| H44 | C38 | C39 | H45 | 0.2° | 0.1° |
| H45 | C39 | C40 | H46 | 0.7° | 0.1° |
| H46 | C40 | C41 | H47 | 0.2° | 0.0° |
