04U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C8 | doub | 1.21Å | 1.25Å | |
| C8 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C25 | sing | 1.54Å | 1.54Å | |
| C10 | N11 | sing | 1.49Å | 1.47Å | |
| C25 | C24 | sing | 1.54Å | 1.51Å | |
| C24 | N26 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.54Å | 1.53Å | |
| N26 | N27 | doub | 1.12Å | 1.24Å | |
| N27 | N28 | doub | 1.12Å | 1.31Å | |
| C23 | N11 | sing | 1.49Å | 1.46Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C8 | OXT | sing | 1.34Å | 99.26Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N11 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C8 | C10 | 121.0° | 120.0° |
| O9 | C8 | OXT | 126.3° | 120.0° |
| C8 | C10 | C25 | 111.4° | 110.4° |
| C8 | C10 | N11 | 115.3° | 110.4° |
| C8 | C10 | H10 | 108.6° | 110.3° |
| C10 | C8 | OXT | 112.7° | 119.9° |
| C25 | C10 | N11 | 104.3° | 104.7° |
| C10 | C25 | C24 | 104.7° | 105.0° |
| C25 | C10 | H10 | 108.1° | 110.4° |
| C10 | C25 | H251 | 110.6° | 110.3° |
| C10 | C25 | H252 | 110.7° | 110.3° |
| C10 | N11 | C23 | 113.1° | 104.2° |
| N11 | C10 | H10 | 109.0° | 110.5° |
| C10 | N11 | H2 | 108.6° | 111.0° |
| C25 | C24 | N26 | 105.0° | 110.3° |
| C25 | C24 | C23 | 106.7° | 105.1° |
| C24 | C25 | H251 | 110.6° | 110.3° |
| C24 | C25 | H252 | 110.6° | 110.3° |
| C25 | C24 | H24 | 113.0° | 110.3° |
| N26 | C24 | C23 | 104.7° | 110.3° |
| C24 | N26 | N27 | 121.7° | 120.0° |
| N26 | C24 | H24 | 113.9° | 110.3° |
| C24 | C23 | N11 | 103.9° | 104.6° |
| C23 | C24 | H24 | 112.8° | 110.4° |
| C24 | C23 | H231 | 110.8° | 110.4° |
| C24 | C23 | H232 | 110.9° | 110.4° |
| N26 | N27 | N28 | 179.5° | 180.0° |
| N27 | N28 | H28 | 112.0° | 120.0° |
| N11 | C23 | H231 | 110.8° | 110.4° |
| N11 | C23 | H232 | 110.8° | 110.5° |
| C23 | N11 | H2 | 108.6° | 111.0° |
| H251 | C25 | H252 | 109.5° | 110.4° |
| H231 | C23 | H232 | 109.5° | 110.5° |
| C8 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C8 | C10 | OXT | 178.1° | 179.7° |
| O9 | C8 | C10 | C25 | 99.1° | 100.0° |
| O9 | C8 | C10 | N11 | 19.5° | 15.2° |
| O9 | C8 | C10 | H10 | 142.0° | 137.7° |
| O9 | C8 | OXT | HXT | 90.0° | 0.0° |
| C8 | C10 | C25 | N11 | 125.0° | 118.8° |
| C8 | C10 | C25 | H10 | 119.2° | 122.3° |
| C8 | C10 | N11 | H10 | 122.3° | 122.3° |
| C8 | C10 | C25 | C24 | 101.9° | 142.6° |
| C8 | C10 | N11 | C23 | 112.1° | 158.3° |
| C8 | C10 | C25 | H251 | 17.3° | 23.8° |
| C8 | C10 | C25 | H252 | 138.9° | 98.5° |
| C10 | C8 | OXT | HXT | 90.0° | 179.7° |
| C8 | C10 | N11 | H2 | 127.4° | 82.2° |
| C25 | C10 | N11 | H10 | 115.2° | 118.9° |
| C10 | C25 | C24 | H251 | 119.2° | 118.9° |
| C10 | C25 | C24 | H252 | 119.2° | 118.9° |
| C10 | C25 | C24 | N26 | 83.1° | 118.9° |
| C10 | C25 | C24 | C23 | 27.7° | 0.0° |
| C25 | C10 | N11 | C23 | 10.3° | 39.5° |
| C10 | C25 | H251 | H252 | 122.2° | 122.3° |
| C10 | C25 | C24 | H24 | 152.2° | 119.0° |
| C25 | C10 | C8 | OXT | 79.0° | 79.7° |
| C25 | C10 | N11 | H2 | 110.2° | 159.0° |
| N11 | C10 | C25 | C24 | 23.1° | 23.9° |
| C10 | N11 | C23 | C24 | 6.6° | 39.5° |
| C10 | N11 | C23 | H2 | 120.5° | 119.5° |
| N11 | C10 | C25 | H251 | 142.3° | 95.0° |
| N11 | C10 | C25 | H252 | 96.2° | 142.7° |
| C10 | N11 | C23 | H231 | 125.7° | 158.2° |
| C10 | N11 | C23 | H232 | 112.5° | 79.3° |
| N11 | C10 | C8 | OXT | 162.4° | 165.1° |
| C25 | C24 | N26 | C23 | 112.2° | 115.7° |
| C25 | C24 | N26 | H24 | 124.1° | 122.1° |
| C25 | C24 | C23 | H24 | 124.6° | 118.9° |
| C25 | C24 | N26 | N27 | 95.6° | 175.0° |
| C25 | C24 | C23 | N11 | 21.3° | 23.9° |
| C24 | C25 | C10 | H10 | 138.9° | 95.1° |
| C24 | C25 | H251 | H252 | 122.2° | 122.2° |
| C25 | C24 | C23 | H231 | 140.4° | 142.6° |
| C25 | C24 | C23 | H232 | 97.8° | 94.9° |
| N26 | C24 | C23 | H24 | 124.3° | 122.2° |
| C24 | N26 | N27 | N28 | 12.5° | 129.1° |
| N26 | C24 | C23 | N11 | 89.7° | 95.0° |
| N26 | C24 | C25 | H251 | 36.1° | 0.0° |
| N26 | C24 | C25 | H252 | 157.6° | 122.2° |
| N26 | C24 | C23 | H231 | 29.4° | 23.7° |
| N26 | C24 | C23 | H232 | 151.2° | 146.1° |
| C23 | C24 | N26 | N27 | 152.2° | 69.3° |
| C24 | C23 | N11 | H231 | 119.1° | 118.7° |
| C24 | C23 | N11 | H232 | 119.1° | 118.8° |
| C23 | C24 | C25 | H251 | 146.9° | 118.9° |
| C23 | C24 | C25 | H252 | 91.5° | 118.8° |
| C24 | C23 | H231 | H232 | 122.6° | 122.4° |
| C24 | C23 | N11 | H2 | 127.1° | 159.0° |
| N27 | N26 | C24 | H24 | 28.5° | 52.9° |
| N26 | N27 | N28 | H28 | 0.0° | 39.1° |
| C23 | N11 | C10 | H10 | 125.6° | 79.4° |
| N11 | C23 | C24 | H24 | 145.9° | 142.8° |
| N11 | C23 | H231 | H232 | 122.6° | 122.5° |
| H10 | C10 | C25 | H251 | 101.8° | 146.1° |
| H10 | C10 | C25 | H252 | 19.7° | 23.8° |
| H10 | C10 | C8 | OXT | 39.8° | 42.7° |
| H10 | C10 | N11 | H2 | 5.0° | 40.1° |
| H251 | C25 | C24 | H24 | 88.6° | 122.2° |
| H252 | C25 | C24 | H24 | 33.0° | 0.1° |
| H24 | C24 | C23 | H231 | 95.0° | 98.5° |
| H24 | C24 | C23 | H232 | 26.8° | 24.0° |
| H231 | C23 | N11 | H2 | 113.8° | 82.2° |
| H232 | C23 | N11 | H2 | 8.0° | 40.2° |
