GBC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.31Å | 1.40Å | |
| C1 | C6 | sing | 1.50Å | 1.39Å | |
| C1 | C7 | sing | 1.47Å | 1.51Å | |
| C2 | C3 | sing | 1.50Å | 1.39Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.37Å | |
| C3 | N3 | sing | 1.47Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.39Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.39Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | O1 | doub | 1.21Å | 1.25Å | |
| C7 | O2 | sing | 1.35Å | 1.25Å | |
| N3 | HN31 | sing | 1.01Å | 1.02Å | |
| N3 | HN32 | sing | 1.01Å | 1.02Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 123.7° |
| C2 | C1 | C7 | 120.4° | 118.2° |
| C1 | C2 | C3 | 119.8° | 123.9° |
| C1 | C2 | H2 | 120.3° | 118.1° |
| C6 | C1 | C7 | 119.4° | 118.1° |
| C1 | C6 | C5 | 119.9° | 110.2° |
| C1 | C6 | H61 | 108.4° | 109.3° |
| C1 | C6 | H62 | 108.5° | 109.4° |
| C1 | C7 | O1 | 118.8° | 120.0° |
| C1 | C7 | O2 | 119.2° | 120.0° |
| C3 | C2 | H2 | 119.9° | 118.0° |
| C2 | C3 | C4 | 119.9° | 110.0° |
| C2 | C3 | N3 | 121.0° | 109.3° |
| C2 | C3 | H3 | 34.5° | 109.3° |
| C4 | C3 | N3 | 119.0° | 109.4° |
| C4 | C3 | H3 | 152.1° | 109.4° |
| C3 | C4 | C5 | 120.4° | 108.5° |
| C3 | C4 | H41 | 108.3° | 109.7° |
| C3 | C4 | H42 | 108.3° | 109.7° |
| N3 | C3 | H3 | 87.6° | 109.3° |
| C3 | N3 | HN31 | 121.0° | 106.8° |
| C3 | N3 | HN32 | 108.0° | 106.7° |
| C5 | C4 | H41 | 108.3° | 109.6° |
| C5 | C4 | H42 | 108.3° | 109.6° |
| C4 | C5 | C6 | 120.1° | 108.5° |
| C4 | C5 | H51 | 108.4° | 109.6° |
| C4 | C5 | H52 | 108.4° | 109.6° |
| H41 | C4 | H42 | 101.6° | 109.7° |
| C6 | C5 | H51 | 108.4° | 109.6° |
| C6 | C5 | H52 | 108.4° | 109.7° |
| C5 | C6 | H61 | 108.5° | 109.4° |
| C5 | C6 | H62 | 108.5° | 109.4° |
| H51 | C5 | H52 | 101.6° | 109.8° |
| H61 | C6 | H62 | 101.5° | 109.2° |
| O1 | C7 | O2 | 120.8° | 120.0° |
| C7 | O2 | HO2 | 119.2° | 120.0° |
| HN31 | N3 | HN32 | 108.1° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 173.4° | 179.9° |
| C1 | C2 | C3 | H2 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 1.0° | 17.3° |
| C1 | C2 | C3 | N3 | 178.8° | 137.5° |
| C1 | C2 | C3 | H3 | 165.1° | 102.8° |
| C2 | C1 | C6 | C5 | 1.0° | 17.3° |
| C2 | C1 | C6 | H61 | 126.2° | 103.0° |
| C2 | C1 | C6 | H62 | 124.3° | 137.5° |
| C2 | C1 | C7 | O1 | 55.3° | 0.0° |
| C2 | C1 | C7 | O2 | 137.2° | 179.9° |
| C6 | C1 | C2 | C3 | 0.3° | 0.6° |
| C6 | C1 | C2 | H2 | 179.8° | 179.6° |
| C1 | C6 | C5 | C4 | 0.5° | 49.7° |
| C1 | C6 | C5 | H61 | 125.2° | 120.2° |
| C1 | C6 | C5 | H62 | 125.3° | 120.2° |
| C1 | C6 | C5 | H51 | 125.8° | 169.5° |
| C1 | C6 | C5 | H52 | 124.8° | 70.0° |
| C1 | C6 | H61 | H62 | 114.2° | 119.6° |
| C6 | C1 | C7 | O1 | 118.0° | 180.0° |
| C6 | C1 | C7 | O2 | 49.5° | 0.0° |
| C7 | C1 | C2 | C3 | 173.6° | 179.4° |
| C7 | C1 | C2 | H2 | 6.5° | 0.3° |
| C7 | C1 | C6 | C5 | 174.4° | 162.8° |
| C7 | C1 | C6 | H61 | 60.4° | 77.0° |
| C7 | C1 | C6 | H62 | 49.1° | 42.6° |
| C1 | C7 | O1 | O2 | 167.3° | 180.0° |
| C1 | C7 | O2 | HO2 | 179.9° | 180.0° |
| C2 | C3 | C4 | N3 | 179.8° | 120.1° |
| C2 | C3 | C4 | H3 | 19.4° | 120.1° |
| C2 | C3 | N3 | H3 | 9.0° | 119.7° |
| C2 | C3 | C4 | C5 | 1.6° | 49.8° |
| C2 | C3 | C4 | H41 | 126.9° | 69.9° |
| C2 | C3 | C4 | H42 | 123.7° | 169.5° |
| C2 | C3 | N3 | HN31 | 179.9° | 59.7° |
| C2 | C3 | N3 | HN32 | 54.7° | 173.5° |
| H2 | C2 | C3 | C4 | 178.9° | 162.9° |
| H2 | C2 | C3 | N3 | 1.3° | 42.7° |
| H2 | C2 | C3 | H3 | 14.8° | 77.0° |
| C4 | C3 | N3 | H3 | 171.1° | 119.8° |
| C3 | C4 | C5 | H41 | 125.3° | 119.8° |
| C3 | C4 | C5 | H42 | 125.3° | 119.8° |
| C3 | C4 | H41 | H42 | 113.9° | 120.5° |
| C3 | C4 | C5 | C6 | 0.8° | 68.1° |
| C3 | C4 | C5 | H51 | 124.5° | 172.2° |
| C3 | C4 | C5 | H52 | 126.1° | 51.7° |
| C4 | C3 | N3 | HN31 | 0.3° | 179.8° |
| C4 | C3 | N3 | HN32 | 125.5° | 66.0° |
| N3 | C3 | C4 | C5 | 178.3° | 169.9° |
| N3 | C3 | C4 | H41 | 53.0° | 50.2° |
| N3 | C3 | C4 | H42 | 56.5° | 70.3° |
| C3 | N3 | HN31 | HN32 | 125.2° | 113.8° |
| H3 | C3 | C4 | C5 | 20.9° | 70.3° |
| H3 | C3 | C4 | H41 | 146.2° | 170.0° |
| H3 | C3 | C4 | H42 | 104.3° | 49.4° |
| H3 | C3 | N3 | HN31 | 170.9° | 60.0° |
| H3 | C3 | N3 | HN32 | 45.7° | 53.8° |
| C5 | C4 | H41 | H42 | 114.0° | 120.4° |
| C4 | C5 | C6 | H51 | 125.3° | 119.7° |
| C4 | C5 | C6 | H52 | 125.2° | 119.7° |
| C4 | C5 | H51 | H52 | 114.0° | 120.4° |
| C4 | C5 | C6 | H61 | 125.7° | 70.5° |
| C4 | C5 | C6 | H62 | 124.8° | 170.0° |
| H41 | C4 | C5 | C6 | 126.1° | 51.7° |
| H41 | C4 | C5 | H51 | 0.8° | 68.0° |
| H41 | C4 | C5 | H52 | 108.7° | 171.5° |
| H42 | C4 | C5 | C6 | 124.4° | 172.2° |
| H42 | C4 | C5 | H51 | 110.2° | 52.5° |
| H42 | C4 | C5 | H52 | 0.8° | 68.1° |
| C6 | C5 | H51 | H52 | 114.1° | 120.5° |
| C5 | C6 | H61 | H62 | 114.2° | 119.7° |
| H51 | C5 | C6 | H61 | 109.0° | 49.2° |
| H51 | C5 | C6 | H62 | 0.5° | 70.3° |
| H52 | C5 | C6 | H61 | 0.4° | 169.8° |
| H52 | C5 | C6 | H62 | 110.0° | 50.3° |
| O1 | C7 | O2 | HO2 | 12.8° | 0.0° |
