YG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C03 | N02 | sing | 1.46Å | 1.46Å | |
| C04 | N02 | sing | 1.35Å | 1.44Å | |
| O05 | C04 | doub | 1.21Å | 1.19Å | |
| C06 | C04 | sing | 1.51Å | 1.53Å | |
| N07 | C06 | sing | 1.46Å | 1.44Å | |
| N08 | N07 | sing | 1.40Å | 1.34Å | Aromatic |
| C09 | N08 | doub | 1.30Å | 1.32Å | Aromatic |
| C10 | C09 | sing | 1.46Å | 1.45Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| N07 | C15 | sing | 1.37Å | 1.35Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 119.2° | 120.0° |
| C01 | N02 | C04 | 119.6° | 120.1° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| C03 | N02 | C04 | 121.2° | 120.0° |
| N02 | C03 | H032 | 109.5° | 109.5° |
| N02 | C03 | H033 | 109.5° | 109.5° |
| N02 | C03 | H031 | 109.5° | 109.5° |
| N02 | C04 | O05 | 120.7° | 120.0° |
| N02 | C04 | C06 | 117.3° | 120.0° |
| O05 | C04 | C06 | 122.1° | 120.0° |
| C04 | C06 | N07 | 111.5° | 109.5° |
| C04 | C06 | H061 | 109.0° | 109.5° |
| C04 | C06 | H062 | 109.0° | 109.5° |
| C06 | N07 | N08 | 124.9° | 125.5° |
| C06 | N07 | C15 | 123.8° | 125.4° |
| N07 | C06 | H061 | 109.0° | 109.5° |
| N07 | C06 | H062 | 109.0° | 109.4° |
| N07 | N08 | C09 | 108.4° | 110.1° |
| N08 | N07 | C15 | 111.3° | 109.1° |
| N08 | C09 | C10 | 108.1° | 107.8° |
| N08 | C09 | H091 | 125.9° | 126.1° |
| C09 | C10 | C11 | 135.5° | 134.0° |
| C09 | C10 | C15 | 105.3° | 106.3° |
| C10 | C09 | H091 | 125.9° | 126.1° |
| C10 | C11 | C12 | 120.8° | 119.6° |
| C11 | C10 | C15 | 119.2° | 119.7° |
| C10 | C11 | H111 | 119.6° | 120.2° |
| C11 | C12 | C13 | 119.8° | 120.6° |
| C12 | C11 | H111 | 119.6° | 120.2° |
| C11 | C12 | H121 | 120.1° | 119.7° |
| C12 | C13 | C14 | 119.9° | 120.9° |
| C12 | C13 | H131 | 120.0° | 119.6° |
| C13 | C12 | H121 | 120.1° | 119.7° |
| C13 | C14 | C15 | 120.4° | 119.9° |
| C14 | C13 | H131 | 120.0° | 119.6° |
| C13 | C14 | H141 | 119.8° | 120.1° |
| C14 | C15 | N07 | 133.3° | 133.9° |
| C14 | C15 | C10 | 119.8° | 119.3° |
| C15 | C14 | H141 | 119.8° | 120.0° |
| N07 | C15 | C10 | 106.9° | 106.7° |
| H012 | C01 | H011 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 178.9° | 179.9° |
| C01 | N02 | C04 | O05 | 1.2° | 0.0° |
| C01 | N02 | C04 | C06 | 179.3° | 180.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.1° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | N02 | C03 | H032 | 180.0° | 90.0° |
| C01 | N02 | C03 | H033 | 60.0° | 150.0° |
| C01 | N02 | C03 | H031 | 60.0° | 30.0° |
| C03 | N02 | C04 | O05 | 179.9° | 180.0° |
| C03 | N02 | C04 | C06 | 0.4° | 0.0° |
| C03 | N02 | C01 | H012 | 180.0° | 90.0° |
| C03 | N02 | C01 | H011 | 60.0° | 150.0° |
| C03 | N02 | C01 | H013 | 60.0° | 30.0° |
| N02 | C03 | H032 | H033 | 120.0° | 120.1° |
| N02 | C03 | H032 | H031 | 120.0° | 120.0° |
| N02 | C03 | H033 | H031 | 120.0° | 120.0° |
| N02 | C04 | O05 | C06 | 179.5° | 180.0° |
| N02 | C04 | C06 | N07 | 160.3° | 179.9° |
| C04 | N02 | C01 | H012 | 1.1° | 89.9° |
| C04 | N02 | C01 | H011 | 118.9° | 30.0° |
| C04 | N02 | C01 | H013 | 121.1° | 150.0° |
| C04 | N02 | C03 | H032 | 1.1° | 90.0° |
| C04 | N02 | C03 | H033 | 121.1° | 30.0° |
| C04 | N02 | C03 | H031 | 118.9° | 150.0° |
| N02 | C04 | C06 | H061 | 79.4° | 60.0° |
| N02 | C04 | C06 | H062 | 40.0° | 60.0° |
| O05 | C04 | C06 | N07 | 20.2° | 0.0° |
| O05 | C04 | C06 | H061 | 100.1° | 120.0° |
| O05 | C04 | C06 | H062 | 140.5° | 120.0° |
| C04 | C06 | N07 | H061 | 120.3° | 120.0° |
| C04 | C06 | N07 | H062 | 120.3° | 120.0° |
| C04 | C06 | N07 | N08 | 103.9° | 90.0° |
| C04 | C06 | N07 | C15 | 76.9° | 90.0° |
| C04 | C06 | H061 | H062 | 119.1° | 120.0° |
| C06 | N07 | N08 | C15 | 179.2° | 180.0° |
| C06 | N07 | N08 | C09 | 179.3° | 180.0° |
| C06 | N07 | C15 | C14 | 0.7° | 0.1° |
| C06 | N07 | C15 | C10 | 179.0° | 180.0° |
| N07 | C06 | H061 | H062 | 119.1° | 120.0° |
| N07 | N08 | C09 | C10 | 0.4° | 0.1° |
| N08 | N07 | C15 | C14 | 179.9° | 179.9° |
| N08 | N07 | C15 | C10 | 0.2° | 0.0° |
| N08 | N07 | C06 | H061 | 16.4° | 150.0° |
| N08 | N07 | C06 | H062 | 135.8° | 30.0° |
| N07 | N08 | C09 | H091 | 179.6° | 180.0° |
| N08 | C09 | C10 | H091 | 180.0° | 179.9° |
| N08 | C09 | C10 | C11 | 179.9° | 179.8° |
| C09 | N08 | N07 | C15 | 0.1° | 0.0° |
| N08 | C09 | C10 | C15 | 0.5° | 0.1° |
| C09 | C10 | C11 | C15 | 179.4° | 179.8° |
| C09 | C10 | C11 | C12 | 179.3° | 180.0° |
| C09 | C10 | C15 | C14 | 179.8° | 180.0° |
| C09 | C10 | C15 | N07 | 0.4° | 0.0° |
| C09 | C10 | C11 | H111 | 0.7° | 0.2° |
| C10 | C11 | C12 | H111 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | C10 | C15 | C14 | 0.3° | 0.1° |
| C11 | C10 | C15 | N07 | 180.0° | 179.8° |
| C11 | C10 | C09 | H091 | 0.1° | 0.2° |
| C10 | C11 | C12 | H121 | 179.7° | 179.7° |
| C11 | C12 | C13 | H121 | 180.0° | 179.5° |
| C11 | C12 | C13 | C14 | 0.1° | 0.5° |
| C12 | C11 | C10 | C15 | 0.0° | 0.2° |
| C11 | C12 | C13 | H131 | 179.8° | 180.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.5° |
| C12 | C13 | C14 | C15 | 0.2° | 0.5° |
| C13 | C12 | C11 | H111 | 179.8° | 180.0° |
| C12 | C13 | C14 | H141 | 179.8° | 179.6° |
| C13 | C14 | C15 | H141 | 180.0° | 179.8° |
| C13 | C14 | C15 | N07 | 179.9° | 179.9° |
| C13 | C14 | C15 | C10 | 0.4° | 0.2° |
| C14 | C13 | C12 | H121 | 179.9° | 180.0° |
| C14 | C15 | N07 | C10 | 179.7° | 179.9° |
| C15 | C14 | C13 | H131 | 179.8° | 180.0° |
| C15 | N07 | C06 | H061 | 162.8° | 30.0° |
| C15 | N07 | C06 | H062 | 43.4° | 150.0° |
| N07 | C15 | C14 | H141 | 0.1° | 0.0° |
| C15 | C10 | C09 | H091 | 179.5° | 180.0° |
| C15 | C10 | C11 | H111 | 180.0° | 179.7° |
| C10 | C15 | C14 | H141 | 179.6° | 179.9° |
| H131 | C13 | C12 | H121 | 0.2° | 0.5° |
| H131 | C13 | C14 | H141 | 0.2° | 0.1° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H032 | C03 | H033 | H031 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 0.3° | 0.5° |
