GZ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.40Å | 1.48Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C12 | C7 | doub | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | N6 | sing | 1.37Å | 1.34Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| N6 | C5 | sing | 1.39Å | 1.36Å | |
| C5 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C5 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| N4 | N3 | sing | 1.28Å | 1.40Å | Aromatic |
| N3 | N2 | doub | 1.29Å | 1.39Å | Aromatic |
| N2 | N1 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | C12 | 119.7° | 119.7° |
| O13 | C11 | C10 | 120.0° | 119.7° |
| C12 | C11 | C10 | 120.3° | 120.6° |
| C11 | C12 | C7 | 120.5° | 121.7° |
| C11 | C12 | H12 | 119.8° | 119.2° |
| C11 | C10 | C9 | 111.2° | 109.0° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C11 | C10 | H10A | 108.5° | 109.6° |
| C12 | C7 | C8 | 122.0° | 121.1° |
| C12 | C7 | N6 | 123.8° | 119.4° |
| C7 | C12 | H12 | 119.7° | 119.1° |
| C8 | C7 | N6 | 114.2° | 119.4° |
| C7 | C8 | C9 | 114.7° | 109.5° |
| C7 | C8 | H8 | 107.8° | 109.5° |
| C7 | C8 | H8A | 106.6° | 109.4° |
| C7 | N6 | C5 | 127.6° | 120.0° |
| C7 | N6 | HN6 | 116.2° | 120.0° |
| C8 | C9 | C10 | 112.6° | 108.7° |
| C9 | C8 | H8 | 107.8° | 109.5° |
| C9 | C8 | H8A | 106.6° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C8 | C9 | H9A | 107.7° | 109.6° |
| C10 | C9 | H9 | 108.5° | 109.7° |
| C10 | C9 | H9A | 107.7° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.7° |
| C9 | C10 | H10A | 108.5° | 109.5° |
| N6 | C5 | N4 | 124.3° | 126.5° |
| N6 | C5 | N1 | 120.9° | 126.4° |
| C5 | N6 | HN6 | 116.2° | 120.0° |
| N4 | C5 | N1 | 114.8° | 107.2° |
| C5 | N4 | N3 | 104.2° | 110.5° |
| C5 | N1 | N2 | 104.8° | 105.2° |
| C5 | N1 | HN1 | 127.6° | 127.4° |
| N4 | N3 | N2 | 108.5° | 110.3° |
| N3 | N2 | N1 | 107.7° | 106.8° |
| N2 | N1 | HN1 | 127.6° | 127.3° |
| H8 | C8 | H8A | 113.6° | 109.5° |
| H9 | C9 | H9A | 111.9° | 109.7° |
| H10 | C10 | H10A | 110.8° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | C12 | C10 | 179.6° | 179.8° |
| O13 | C11 | C12 | C7 | 179.6° | 179.9° |
| O13 | C11 | C10 | C9 | 150.9° | 151.0° |
| O13 | C11 | C12 | H12 | 0.4° | 0.2° |
| O13 | C11 | C10 | H10 | 30.9° | 89.0° |
| O13 | C11 | C10 | H10A | 89.8° | 31.2° |
| C11 | C12 | C7 | H12 | 180.0° | 179.9° |
| C11 | C12 | C7 | C8 | 7.6° | 0.2° |
| C11 | C12 | C7 | N6 | 172.4° | 179.7° |
| C12 | C11 | C10 | C9 | 29.5° | 29.2° |
| C12 | C11 | C10 | H10 | 149.5° | 90.8° |
| C12 | C11 | C10 | H10A | 89.7° | 149.0° |
| C10 | C11 | C12 | C7 | 0.8° | 0.1° |
| C11 | C10 | C9 | C8 | 49.1° | 57.0° |
| C11 | C10 | C9 | H10 | 120.0° | 119.9° |
| C11 | C10 | C9 | H10A | 119.3° | 119.8° |
| C10 | C11 | C12 | H12 | 179.2° | 180.0° |
| C11 | C10 | C9 | H9 | 169.1° | 62.8° |
| C11 | C10 | C9 | H9A | 69.6° | 176.8° |
| C11 | C10 | H10 | H10A | 119.3° | 120.2° |
| C12 | C7 | C8 | N6 | 180.0° | 179.9° |
| C12 | C7 | C8 | C9 | 13.8° | 29.6° |
| C12 | C7 | N6 | C5 | 2.4° | 173.6° |
| C12 | C7 | C8 | H8 | 106.2° | 149.7° |
| C12 | C7 | C8 | H8A | 131.5° | 90.3° |
| C12 | C7 | N6 | HN6 | 177.7° | 6.4° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 117.7° | 120.0° |
| C7 | C8 | C9 | C10 | 42.5° | 57.5° |
| C8 | C7 | N6 | C5 | 177.6° | 6.5° |
| C8 | C7 | C12 | H12 | 172.4° | 179.8° |
| C7 | C8 | H8 | H8A | 117.9° | 119.9° |
| C7 | C8 | C9 | H9 | 162.5° | 62.4° |
| C7 | C8 | C9 | H9A | 76.1° | 177.2° |
| C8 | C7 | N6 | HN6 | 2.3° | 173.5° |
| N6 | C7 | C8 | C9 | 166.2° | 150.3° |
| C7 | N6 | C5 | HN6 | 180.0° | 180.0° |
| C7 | N6 | C5 | N4 | 30.6° | 5.8° |
| C7 | N6 | C5 | N1 | 150.7° | 173.8° |
| N6 | C7 | C12 | H12 | 7.6° | 0.2° |
| N6 | C7 | C8 | H8 | 73.8° | 30.2° |
| N6 | C7 | C8 | H8A | 48.5° | 89.7° |
| C8 | C9 | C10 | H9 | 120.0° | 119.8° |
| C8 | C9 | C10 | H9A | 118.7° | 119.7° |
| C9 | C8 | H8 | H8A | 117.9° | 120.0° |
| C8 | C9 | H9 | H9A | 118.7° | 120.3° |
| C8 | C9 | C10 | H10 | 169.1° | 62.9° |
| C8 | C9 | C10 | H10A | 70.2° | 176.8° |
| C10 | C9 | C8 | H8 | 77.5° | 177.5° |
| C10 | C9 | C8 | H8A | 160.2° | 62.5° |
| C10 | C9 | H9 | H9A | 118.7° | 120.4° |
| C9 | C10 | H10 | H10A | 119.3° | 120.2° |
| N6 | C5 | N4 | N1 | 178.7° | 179.7° |
| N6 | C5 | N4 | N3 | 179.8° | 180.0° |
| N6 | C5 | N1 | N2 | 179.9° | 179.9° |
| N6 | C5 | N1 | HN1 | 0.1° | 0.0° |
| C5 | N4 | N3 | N2 | 0.6° | 0.0° |
| N4 | C5 | N1 | N2 | 1.2° | 0.5° |
| N4 | C5 | N6 | HN6 | 149.4° | 174.1° |
| N4 | C5 | N1 | HN1 | 178.8° | 179.7° |
| N1 | C5 | N4 | N3 | 1.1° | 0.3° |
| C5 | N1 | N2 | N3 | 0.7° | 0.4° |
| C5 | N1 | N2 | HN1 | 180.0° | 179.8° |
| N1 | C5 | N6 | HN6 | 29.2° | 6.2° |
| N4 | N3 | N2 | N1 | 0.1° | 0.3° |
| N3 | N2 | N1 | HN1 | 179.3° | 179.7° |
| H8 | C8 | C9 | H9 | 42.5° | 57.6° |
| H8 | C8 | C9 | H9A | 163.9° | 62.8° |
| H8A | C8 | C9 | H9 | 79.8° | 177.6° |
| H8A | C8 | C9 | H9A | 41.5° | 57.2° |
| H9 | C9 | C10 | H10 | 70.9° | 177.3° |
| H9 | C9 | C10 | H10A | 49.8° | 57.1° |
| H9A | C9 | C10 | H10 | 50.4° | 56.9° |
| H9A | C9 | C10 | H10A | 171.2° | 63.4° |
