GB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | N7 | sing | 1.47Å | 1.48Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | O9 | sing | 1.43Å | 1.42Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| N7 | C6 | sing | 1.47Å | 1.46Å | |
| N7 | HN7 | sing | 1.01Å | 1.00Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | N1 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.49Å | 1.46Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C10 | 122.6° | 120.0° |
| C14 | C15 | H15 | 118.7° | 119.9° |
| C15 | C14 | C13 | 120.3° | 120.0° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| C10 | C15 | H15 | 118.7° | 120.1° |
| C15 | C10 | C11 | 117.3° | 120.0° |
| C15 | C10 | C8 | 122.7° | 120.0° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C14 | C13 | C12 | 116.1° | 120.0° |
| C14 | C13 | H13 | 121.9° | 120.1° |
| C12 | C13 | H13 | 121.9° | 119.9° |
| C13 | C12 | C11 | 125.6° | 120.0° |
| C13 | C12 | H12 | 117.2° | 120.0° |
| C11 | C12 | H12 | 117.2° | 120.0° |
| C12 | C11 | C10 | 118.0° | 120.0° |
| C12 | C11 | H11 | 121.0° | 120.0° |
| C10 | C11 | H11 | 121.0° | 120.0° |
| C11 | C10 | C8 | 120.0° | 120.0° |
| C10 | C8 | C9 | 108.1° | 109.5° |
| C10 | C8 | N7 | 103.9° | 109.5° |
| C10 | C8 | H8 | 117.9° | 109.5° |
| C9 | C8 | N7 | 119.4° | 109.5° |
| C9 | C8 | H8 | 102.0° | 109.4° |
| C8 | C9 | O9 | 104.0° | 109.5° |
| C8 | C9 | H91 | 112.5° | 109.5° |
| C8 | C9 | H92 | 111.3° | 109.4° |
| N7 | C8 | H8 | 106.3° | 109.5° |
| C8 | N7 | C6 | 124.3° | 106.7° |
| C8 | N7 | HN7 | 104.8° | 106.7° |
| O9 | C9 | H91 | 112.5° | 109.5° |
| O9 | C9 | H92 | 111.3° | 109.5° |
| C9 | O9 | HO9 | 109.5° | 106.8° |
| H91 | C9 | H92 | 105.4° | 109.5° |
| C6 | N7 | HN7 | 104.8° | 106.7° |
| N7 | C6 | C5 | 114.2° | 109.5° |
| N7 | C6 | H61 | 106.9° | 109.4° |
| N7 | C6 | H62 | 107.9° | 109.4° |
| C5 | C6 | H61 | 106.8° | 109.5° |
| C5 | C6 | H62 | 107.9° | 109.5° |
| C6 | C5 | N1 | 111.2° | 109.9° |
| C6 | C5 | C4 | 111.0° | 109.9° |
| C6 | C5 | H5 | 104.3° | 109.9° |
| H61 | C6 | H62 | 113.2° | 109.5° |
| N1 | C5 | C4 | 98.0° | 107.3° |
| N1 | C5 | H5 | 116.1° | 109.9° |
| C5 | N1 | C2 | 114.4° | 105.8° |
| C5 | N1 | HN1 | 107.9° | 106.7° |
| C4 | C5 | H5 | 116.4° | 109.9° |
| C5 | C4 | C3 | 108.4° | 104.9° |
| C5 | C4 | O4 | 100.6° | 110.6° |
| C5 | C4 | H4 | 115.3° | 110.3° |
| C2 | N1 | HN1 | 107.9° | 106.7° |
| N1 | C2 | C3 | 95.9° | 103.3° |
| N1 | C2 | H21 | 117.0° | 110.7° |
| N1 | C2 | H22 | 114.3° | 110.7° |
| C3 | C2 | H21 | 117.0° | 110.6° |
| C3 | C2 | H22 | 114.3° | 110.6° |
| C2 | C3 | O3 | 116.1° | 110.8° |
| C2 | C3 | C4 | 102.6° | 102.9° |
| C2 | C3 | H3 | 112.4° | 110.7° |
| H21 | C2 | H22 | 99.5° | 110.7° |
| O3 | C3 | C4 | 116.0° | 110.8° |
| O3 | C3 | H3 | 97.8° | 110.7° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C4 | C3 | H3 | 112.4° | 110.8° |
| C3 | C4 | O4 | 108.3° | 110.3° |
| C3 | C4 | H4 | 108.4° | 110.3° |
| O4 | C4 | H4 | 115.4° | 110.3° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C10 | H15 | 180.0° | 179.5° |
| C15 | C14 | C13 | H14 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.5° | 0.2° |
| C15 | C14 | C13 | H13 | 179.5° | 179.8° |
| C14 | C15 | C10 | C11 | 0.1° | 0.5° |
| C14 | C15 | C10 | C8 | 178.8° | 179.8° |
| C10 | C15 | C14 | C13 | 0.4° | 0.5° |
| C10 | C15 | C14 | H14 | 179.6° | 179.7° |
| C15 | C10 | C11 | C12 | 0.1° | 0.3° |
| C15 | C10 | C11 | C8 | 179.0° | 179.7° |
| C15 | C10 | C11 | H11 | 179.9° | 179.7° |
| C15 | C10 | C8 | C9 | 121.6° | 79.7° |
| C15 | C10 | C8 | N7 | 110.7° | 40.3° |
| C15 | C10 | C8 | H8 | 6.6° | 160.3° |
| H15 | C15 | C14 | C13 | 179.6° | 180.0° |
| H15 | C15 | C14 | H14 | 0.4° | 0.2° |
| H15 | C15 | C10 | C11 | 179.8° | 180.0° |
| H15 | C15 | C10 | C8 | 1.2° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C14 | C13 | C12 | H12 | 179.5° | 180.0° |
| H14 | C14 | C13 | C12 | 179.5° | 180.0° |
| H14 | C14 | C13 | H13 | 0.5° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | H11 | 179.7° | 180.0° |
| H13 | C13 | C12 | C11 | 179.5° | 180.0° |
| H13 | C13 | C12 | H12 | 0.5° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C8 | 178.9° | 180.0° |
| H12 | C12 | C11 | C10 | 179.7° | 180.0° |
| H12 | C12 | C11 | H11 | 0.3° | 0.0° |
| C11 | C10 | C8 | C9 | 57.3° | 100.0° |
| C11 | C10 | C8 | N7 | 70.4° | 140.0° |
| C11 | C10 | C8 | H8 | 172.3° | 20.0° |
| H11 | C11 | C10 | C8 | 1.1° | 0.0° |
| C10 | C8 | C9 | N7 | 118.3° | 120.0° |
| C10 | C8 | C9 | H8 | 125.0° | 120.0° |
| C10 | C8 | N7 | H8 | 125.1° | 120.0° |
| C10 | C8 | C9 | O9 | 175.6° | 55.0° |
| C10 | C8 | C9 | H91 | 53.6° | 175.0° |
| C10 | C8 | C9 | H92 | 64.4° | 65.0° |
| C10 | C8 | N7 | C6 | 61.0° | 155.0° |
| C10 | C8 | N7 | HN7 | 59.0° | 41.2° |
| C9 | C8 | N7 | H8 | 114.5° | 120.0° |
| C8 | C9 | O9 | H91 | 122.0° | 120.0° |
| C8 | C9 | O9 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 121.5° | 120.0° |
| C8 | C9 | O9 | HO9 | 4.3° | 180.0° |
| C9 | C8 | N7 | C6 | 178.6° | 85.0° |
| C9 | C8 | N7 | HN7 | 61.4° | 161.2° |
| N7 | C8 | C9 | O9 | 66.1° | 65.0° |
| N7 | C8 | C9 | H91 | 171.9° | 55.0° |
| N7 | C8 | C9 | H92 | 53.9° | 175.0° |
| C8 | N7 | C6 | HN7 | 120.0° | 113.8° |
| C8 | N7 | C6 | C5 | 166.1° | 180.0° |
| C8 | N7 | C6 | H61 | 76.0° | 60.0° |
| C8 | N7 | C6 | H62 | 46.1° | 60.0° |
| H8 | C8 | C9 | O9 | 50.7° | 175.0° |
| H8 | C8 | C9 | H91 | 71.3° | 65.0° |
| H8 | C8 | C9 | H92 | 170.7° | 55.0° |
| H8 | C8 | N7 | C6 | 64.1° | 35.0° |
| H8 | C8 | N7 | HN7 | 175.9° | 78.8° |
| O9 | C9 | H91 | H92 | 121.5° | 120.0° |
| H91 | C9 | O9 | HO9 | 126.3° | 60.0° |
| H92 | C9 | O9 | HO9 | 115.7° | 60.1° |
| N7 | C6 | C5 | H61 | 117.9° | 120.0° |
| N7 | C6 | C5 | H62 | 120.0° | 120.0° |
| N7 | C6 | H61 | H62 | 118.7° | 120.0° |
| N7 | C6 | C5 | N1 | 165.1° | 56.8° |
| N7 | C6 | C5 | C4 | 86.8° | 174.6° |
| N7 | C6 | C5 | H5 | 39.2° | 64.3° |
| HN7 | N7 | C6 | C5 | 73.9° | 66.2° |
| HN7 | N7 | C6 | H61 | 44.0° | 173.8° |
| HN7 | N7 | C6 | H62 | 166.1° | 53.8° |
| C5 | C6 | H61 | H62 | 118.7° | 120.0° |
| C6 | C5 | N1 | C4 | 116.3° | 119.5° |
| C6 | C5 | N1 | H5 | 119.1° | 121.0° |
| C6 | C5 | C4 | H5 | 119.0° | 121.1° |
| C6 | C5 | N1 | C2 | 91.2° | 144.7° |
| C6 | C5 | N1 | HN1 | 148.8° | 101.9° |
| C6 | C5 | C4 | C3 | 121.9° | 120.6° |
| C6 | C5 | C4 | O4 | 124.6° | 120.5° |
| C6 | C5 | C4 | H4 | 0.2° | 1.8° |
| H61 | C6 | C5 | N1 | 76.9° | 63.2° |
| H61 | C6 | C5 | C4 | 31.1° | 54.6° |
| H61 | C6 | C5 | H5 | 157.1° | 175.7° |
| H62 | C6 | C5 | N1 | 45.2° | 176.8° |
| H62 | C6 | C5 | C4 | 153.2° | 65.4° |
| H62 | C6 | C5 | H5 | 80.8° | 55.7° |
| N1 | C5 | C4 | H5 | 124.5° | 119.5° |
| C5 | N1 | C2 | HN1 | 120.0° | 113.4° |
| C5 | N1 | C2 | C3 | 43.8° | 39.2° |
| C5 | N1 | C2 | H21 | 80.6° | 79.2° |
| C5 | N1 | C2 | H22 | 163.8° | 157.6° |
| N1 | C5 | C4 | C3 | 5.5° | 1.1° |
| N1 | C5 | C4 | O4 | 118.9° | 120.0° |
| N1 | C5 | C4 | H4 | 116.3° | 117.7° |
| C4 | C5 | N1 | C2 | 25.1° | 25.2° |
| C4 | C5 | N1 | HN1 | 95.0° | 138.6° |
| C5 | C4 | C3 | C2 | 31.2° | 22.0° |
| C5 | C4 | C3 | O3 | 96.4° | 140.5° |
| C5 | C4 | C3 | O4 | 108.2° | 119.1° |
| C5 | C4 | C3 | H4 | 125.9° | 118.8° |
| C5 | C4 | C3 | H3 | 152.1° | 96.3° |
| C5 | C4 | O4 | H4 | 124.8° | 122.3° |
| C5 | C4 | O4 | HO4 | 104.3° | 177.1° |
| H5 | C5 | N1 | C2 | 149.7° | 94.3° |
| H5 | C5 | N1 | HN1 | 29.7° | 19.1° |
| H5 | C5 | C4 | C3 | 119.0° | 118.4° |
| H5 | C5 | C4 | O4 | 5.6° | 0.5° |
| H5 | C5 | C4 | H4 | 119.2° | 122.8° |
| N1 | C2 | C3 | H21 | 124.3° | 118.5° |
| N1 | C2 | C3 | H22 | 120.0° | 118.5° |
| N1 | C2 | H21 | H22 | 123.6° | 123.1° |
| N1 | C2 | C3 | O3 | 85.7° | 155.9° |
| N1 | C2 | C3 | C4 | 41.9° | 37.5° |
| N1 | C2 | C3 | H3 | 162.9° | 80.9° |
| HN1 | N1 | C2 | C3 | 76.3° | 152.6° |
| HN1 | N1 | C2 | H21 | 159.4° | 34.1° |
| HN1 | N1 | C2 | H22 | 43.7° | 89.0° |
| C3 | C2 | H21 | H22 | 123.6° | 123.0° |
| C2 | C3 | O3 | C4 | 120.6° | 113.5° |
| C2 | C3 | O3 | H3 | 119.7° | 123.2° |
| C2 | C3 | C4 | H3 | 121.0° | 118.4° |
| C2 | C3 | O3 | HO3 | 14.5° | 61.5° |
| C2 | C3 | C4 | O4 | 139.4° | 97.1° |
| C2 | C3 | C4 | H4 | 94.7° | 140.9° |
| H21 | C2 | C3 | O3 | 150.0° | 37.5° |
| H21 | C2 | C3 | C4 | 82.4° | 81.0° |
| H21 | C2 | C3 | H3 | 38.6° | 160.6° |
| H22 | C2 | C3 | O3 | 34.3° | 85.6° |
| H22 | C2 | C3 | C4 | 161.9° | 155.9° |
| H22 | C2 | C3 | H3 | 77.1° | 37.5° |
| O3 | C3 | C4 | H3 | 111.4° | 123.2° |
| O3 | C3 | C4 | O4 | 11.8° | 21.4° |
| O3 | C3 | C4 | H4 | 137.7° | 100.7° |
| C4 | C3 | O3 | HO3 | 135.1° | 175.0° |
| C3 | C4 | O4 | H4 | 121.7° | 122.1° |
| C3 | C4 | O4 | HO4 | 9.2° | 61.4° |
| H3 | C3 | O3 | HO3 | 105.2° | 61.7° |
| H3 | C3 | C4 | O4 | 99.6° | 144.6° |
| H3 | C3 | C4 | H4 | 26.3° | 22.5° |
| H4 | C4 | O4 | HO4 | 130.9° | 60.6° |
