U0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.47Å | |
| C04 | C03 | sing | 1.51Å | 1.54Å | |
| C05 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.35Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| O08 | C06 | sing | 1.34Å | 1.32Å | Aromatic |
| N09 | O08 | sing | 1.21Å | 1.36Å | Aromatic |
| C03 | N02 | sing | 1.46Å | 1.47Å | |
| C10 | N02 | sing | 1.35Å | 1.46Å | |
| O11 | C10 | doub | 1.22Å | 1.19Å | |
| N12 | C10 | sing | 1.35Å | 1.47Å | |
| C13 | N12 | sing | 1.46Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C04 | N09 | doub | 1.30Å | 1.34Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 119.3° | 120.0° |
| C01 | N02 | C10 | 120.0° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.5° | 109.6° |
| C03 | C04 | C05 | 125.5° | 126.8° |
| C04 | C03 | N02 | 108.0° | 109.5° |
| C03 | C04 | N09 | 127.0° | 126.8° |
| C04 | C03 | H032 | 109.8° | 109.5° |
| C04 | C03 | H031 | 109.8° | 109.5° |
| C04 | C05 | C06 | 107.4° | 104.0° |
| C05 | C04 | N09 | 107.5° | 106.4° |
| C04 | C05 | H051 | 126.3° | 128.0° |
| C05 | C06 | C07 | 126.0° | 126.8° |
| C05 | C06 | O08 | 107.3° | 106.5° |
| C06 | C05 | H051 | 126.3° | 128.0° |
| C07 | C06 | O08 | 126.7° | 126.7° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H072 | 109.5° | 109.4° |
| C06 | O08 | N09 | 110.4° | 111.5° |
| O08 | N09 | C04 | 107.5° | 111.6° |
| C03 | N02 | C10 | 120.7° | 120.0° |
| N02 | C03 | H032 | 109.8° | 109.5° |
| N02 | C03 | H031 | 109.8° | 109.5° |
| N02 | C10 | O11 | 119.2° | 120.0° |
| N02 | C10 | N12 | 120.1° | 120.0° |
| O11 | C10 | N12 | 120.7° | 120.0° |
| C10 | N12 | C13 | 120.7° | 120.0° |
| C10 | N12 | H121 | 119.7° | 120.0° |
| N12 | C13 | C14 | 115.1° | 117.5° |
| N12 | C13 | C15 | 115.5° | 117.5° |
| C13 | N12 | H121 | 119.6° | 120.0° |
| N12 | C13 | H131 | 118.5° | 115.6° |
| C13 | C14 | C15 | 59.9° | 60.0° |
| C14 | C13 | C15 | 60.2° | 60.0° |
| C14 | C13 | H131 | 117.2° | 117.5° |
| C13 | C14 | H142 | 120.0° | 117.5° |
| C13 | C14 | H141 | 120.0° | 117.5° |
| C14 | C15 | C13 | 59.9° | 60.0° |
| C14 | C15 | H152 | 120.0° | 117.5° |
| C14 | C15 | H151 | 120.0° | 117.5° |
| C15 | C14 | H142 | 120.0° | 117.5° |
| C15 | C14 | H141 | 120.0° | 117.5° |
| C15 | C13 | H131 | 117.2° | 117.5° |
| C13 | C15 | H152 | 120.0° | 117.5° |
| C13 | C15 | H151 | 120.0° | 117.5° |
| H152 | C15 | H151 | 109.5° | 115.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H073 | C07 | H071 | 109.4° | 109.5° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 80.0° | 90.0° |
| C01 | N02 | C03 | C10 | 178.9° | 180.0° |
| C01 | N02 | C10 | O11 | 180.0° | 179.8° |
| C01 | N02 | C10 | N12 | 0.2° | 0.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.1° |
| N02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C01 | N02 | C03 | H032 | 160.2° | 150.1° |
| C01 | N02 | C03 | H031 | 39.7° | 30.0° |
| C03 | C04 | C05 | N09 | 179.1° | 179.7° |
| C03 | C04 | C05 | C06 | 179.7° | 180.0° |
| C03 | C04 | N09 | O08 | 180.0° | 179.9° |
| C04 | C03 | N02 | H032 | 119.8° | 120.0° |
| C04 | C03 | N02 | H031 | 119.8° | 120.0° |
| C04 | C03 | N02 | C10 | 98.9° | 90.0° |
| C04 | C03 | H032 | H031 | 120.7° | 120.0° |
| C03 | C04 | C05 | H051 | 0.2° | 0.1° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C04 | C05 | C06 | O08 | 0.1° | 0.0° |
| C05 | C04 | N09 | O08 | 0.9° | 0.5° |
| C05 | C04 | C03 | N02 | 25.8° | 95.3° |
| C05 | C04 | C03 | H032 | 93.9° | 144.7° |
| C05 | C04 | C03 | H031 | 145.6° | 24.6° |
| C05 | C06 | C07 | O08 | 180.0° | 180.0° |
| C05 | C06 | O08 | N09 | 0.5° | 0.3° |
| C06 | C05 | C04 | N09 | 0.7° | 0.3° |
| C05 | C06 | C07 | H073 | 180.0° | 90.0° |
| C05 | C06 | C07 | H071 | 60.1° | 150.0° |
| C05 | C06 | C07 | H072 | 59.9° | 30.0° |
| C07 | C06 | O08 | N09 | 179.5° | 179.7° |
| C07 | C06 | C05 | H051 | 0.1° | 0.1° |
| C06 | C07 | H073 | H071 | 120.0° | 120.0° |
| C06 | C07 | H073 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | O08 | N09 | C04 | 0.9° | 0.5° |
| O08 | C06 | C05 | H051 | 179.9° | 180.0° |
| O08 | C06 | C07 | H073 | 0.0° | 90.0° |
| O08 | C06 | C07 | H071 | 120.0° | 30.0° |
| O08 | C06 | C07 | H072 | 120.0° | 150.0° |
| C03 | N02 | C10 | O11 | 1.1° | 0.3° |
| C03 | N02 | C10 | N12 | 179.1° | 180.0° |
| N02 | C03 | C04 | N09 | 153.1° | 85.1° |
| C03 | N02 | C01 | H011 | 180.0° | 90.0° |
| C03 | N02 | C01 | H013 | 60.0° | 30.0° |
| C03 | N02 | C01 | H012 | 60.0° | 150.0° |
| N02 | C03 | H032 | H031 | 120.7° | 120.0° |
| N02 | C10 | O11 | N12 | 179.7° | 179.7° |
| N02 | C10 | N12 | C13 | 179.7° | 180.0° |
| N02 | C10 | N12 | H121 | 0.3° | 0.0° |
| C10 | N02 | C01 | H011 | 1.1° | 90.0° |
| C10 | N02 | C01 | H013 | 121.1° | 150.0° |
| C10 | N02 | C01 | H012 | 118.9° | 30.0° |
| C10 | N02 | C03 | H032 | 20.9° | 30.0° |
| C10 | N02 | C03 | H031 | 141.4° | 150.0° |
| O11 | C10 | N12 | C13 | 0.0° | 0.3° |
| O11 | C10 | N12 | H121 | 180.0° | 179.7° |
| C10 | N12 | C13 | H121 | 180.0° | 180.0° |
| C10 | N12 | C13 | C14 | 135.1° | 136.4° |
| C10 | N12 | C13 | C15 | 67.8° | 155.0° |
| C10 | N12 | C13 | H131 | 78.9° | 9.3° |
| N12 | C13 | C14 | C15 | 106.2° | 107.5° |
| N12 | C13 | C14 | H131 | 146.4° | 145.1° |
| N12 | C13 | C15 | H131 | 147.2° | 145.0° |
| N12 | C13 | C15 | H152 | 3.9° | 145.0° |
| N12 | C13 | C15 | H151 | 145.0° | 0.0° |
| N12 | C13 | C14 | H142 | 3.2° | 0.0° |
| N12 | C13 | C14 | H141 | 144.3° | 145.1° |
| C13 | C14 | C15 | H142 | 109.4° | 107.5° |
| C13 | C14 | C15 | H141 | 109.5° | 107.5° |
| C14 | C13 | C15 | H131 | 107.3° | 107.5° |
| C14 | C13 | N12 | H121 | 44.9° | 43.6° |
| C13 | C14 | C15 | H152 | 109.4° | 107.5° |
| C13 | C14 | C15 | H151 | 109.4° | 107.5° |
| C13 | C14 | H142 | H141 | 144.8° | 145.7° |
| C14 | C15 | H152 | H151 | 144.8° | 145.6° |
| C15 | C14 | H142 | H141 | 144.8° | 145.7° |
| N09 | C04 | C03 | H032 | 87.2° | 34.9° |
| N09 | C04 | C03 | H031 | 33.3° | 155.0° |
| N09 | C04 | C05 | H051 | 179.3° | 179.8° |
| C15 | C13 | N12 | H121 | 112.2° | 25.0° |
| C13 | C15 | H152 | H151 | 144.8° | 145.8° |
| H121 | N12 | C13 | H131 | 101.1° | 170.6° |
| H131 | C13 | C15 | H152 | 143.2° | 0.0° |
| H131 | C13 | C15 | H151 | 2.1° | 145.0° |
| H131 | C13 | C14 | H142 | 143.2° | 145.1° |
| H131 | C13 | C14 | H141 | 2.1° | 0.0° |
| H152 | C15 | C14 | H142 | 0.0° | 145.0° |
| H152 | C15 | C14 | H141 | 141.1° | 0.0° |
| H151 | C15 | C14 | H142 | 141.1° | 0.0° |
| H151 | C15 | C14 | H141 | 0.0° | 144.9° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H073 | C07 | H071 | H072 | 120.0° | 120.0° |
