G1K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.21Å | 1.25Å | |
| O2 | C2 | sing | 1.36Å | 1.34Å | |
| C4 | O3 | sing | 1.35Å | 1.24Å | |
| C4 | C3 | sing | 1.48Å | 1.52Å | |
| C2 | C3 | doub | 1.39Å | 1.36Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C1 | N3 | sing | 1.35Å | 1.38Å | |
| N1 | C5 | doub | 1.30Å | 1.33Å | |
| N3 | C5 | sing | 1.35Å | 1.37Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| O6 | C10 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| O5 | C12 | sing | 1.36Å | 1.37Å | |
| O5 | C11 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C9 | C8 | sing | 1.55Å | 1.51Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | O3 | 125.5° | 120.0° |
| O4 | C4 | C3 | 117.3° | 120.0° |
| O2 | C2 | C3 | 124.0° | 121.2° |
| O2 | C2 | C1 | 116.2° | 121.1° |
| C2 | O2 | H16 | 109.5° | 114.0° |
| O3 | C4 | C3 | 117.2° | 120.0° |
| C4 | O3 | H17 | 109.5° | 117.0° |
| C4 | C3 | C2 | 121.2° | 120.3° |
| C4 | C3 | N1 | 116.6° | 120.2° |
| C3 | C2 | C1 | 119.9° | 117.8° |
| C2 | C3 | N1 | 122.2° | 119.5° |
| C2 | C1 | O1 | 123.8° | 121.1° |
| C2 | C1 | N3 | 116.5° | 117.9° |
| C3 | N1 | C5 | 119.0° | 122.2° |
| O1 | C1 | N3 | 119.6° | 121.1° |
| C1 | N3 | C5 | 121.4° | 120.1° |
| C1 | N3 | H15 | 119.3° | 119.9° |
| N1 | C5 | N3 | 121.0° | 122.6° |
| N1 | C5 | C6 | 118.0° | 118.7° |
| N3 | C5 | C6 | 121.0° | 118.7° |
| C5 | N3 | H15 | 119.3° | 119.9° |
| C5 | C6 | N2 | 111.9° | 109.9° |
| C5 | C6 | C7 | 113.6° | 109.9° |
| C5 | C6 | H8 | 109.7° | 109.9° |
| O6 | C10 | C11 | 121.4° | 120.0° |
| O6 | C10 | N2 | 120.8° | 120.0° |
| C14 | C13 | C12 | 119.4° | 119.9° |
| C13 | C14 | C15 | 120.7° | 120.1° |
| C14 | C13 | H3 | 120.3° | 120.0° |
| C13 | C14 | H4 | 119.7° | 120.0° |
| C13 | C12 | O5 | 118.8° | 120.0° |
| C13 | C12 | C17 | 120.0° | 119.9° |
| C12 | C13 | H3 | 120.3° | 120.1° |
| C14 | C15 | C16 | 119.9° | 120.1° |
| C15 | C14 | H4 | 119.7° | 120.0° |
| C14 | C15 | H5 | 120.1° | 119.9° |
| C12 | O5 | C11 | 117.8° | 117.0° |
| O5 | C12 | C17 | 121.1° | 120.0° |
| O5 | C11 | C10 | 111.6° | 109.5° |
| O5 | C11 | H1 | 109.0° | 109.4° |
| O5 | C11 | H2 | 109.0° | 109.5° |
| C11 | C10 | N2 | 117.8° | 120.0° |
| C10 | C11 | H1 | 108.9° | 109.4° |
| C10 | C11 | H2 | 108.9° | 109.5° |
| C10 | N2 | C6 | 122.5° | 125.7° |
| C10 | N2 | C9 | 125.6° | 125.6° |
| N2 | C6 | C7 | 101.9° | 107.3° |
| C6 | N2 | C9 | 111.9° | 108.7° |
| N2 | C6 | H8 | 110.2° | 109.9° |
| C6 | C7 | C8 | 103.0° | 102.9° |
| C7 | C6 | H8 | 109.3° | 110.0° |
| C6 | C7 | H9 | 111.1° | 110.7° |
| C6 | C7 | H10 | 111.1° | 110.7° |
| C12 | C17 | C16 | 119.6° | 119.9° |
| C12 | C17 | H7 | 120.2° | 120.0° |
| C15 | C16 | C17 | 120.5° | 120.1° |
| C16 | C15 | H5 | 120.1° | 120.0° |
| C15 | C16 | H6 | 119.7° | 120.0° |
| N2 | C9 | C8 | 102.0° | 104.9° |
| N2 | C9 | H13 | 111.3° | 110.4° |
| N2 | C9 | H14 | 111.3° | 110.5° |
| C17 | C16 | H6 | 119.8° | 119.9° |
| C16 | C17 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | 101.6° | 101.6° |
| C8 | C7 | H9 | 111.1° | 110.7° |
| C8 | C7 | H10 | 111.1° | 110.7° |
| C7 | C8 | H11 | 111.4° | 111.0° |
| C7 | C8 | H12 | 111.4° | 111.0° |
| C9 | C8 | H11 | 111.4° | 111.0° |
| C9 | C8 | H12 | 111.4° | 111.0° |
| C8 | C9 | H13 | 111.3° | 110.4° |
| C8 | C9 | H14 | 111.3° | 110.4° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 110.8° |
| H11 | C8 | H12 | 109.5° | 110.9° |
| H13 | C9 | H14 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | O3 | C3 | 179.7° | 180.0° |
| O4 | C4 | C3 | C2 | 3.5° | 0.0° |
| O4 | C4 | C3 | N1 | 176.2° | 180.0° |
| O4 | C4 | O3 | H17 | 0.0° | 0.0° |
| O2 | C2 | C3 | C4 | 0.2° | 0.1° |
| O2 | C2 | C3 | C1 | 179.8° | 179.9° |
| O2 | C2 | C3 | N1 | 179.9° | 180.0° |
| O2 | C2 | C1 | O1 | 0.1° | 0.3° |
| O2 | C2 | C1 | N3 | 180.0° | 179.9° |
| O3 | C4 | C3 | C2 | 176.8° | 180.0° |
| O3 | C4 | C3 | N1 | 3.5° | 0.0° |
| C4 | C3 | C2 | N1 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C4 | C3 | N1 | C5 | 180.0° | 180.0° |
| C3 | C4 | O3 | H17 | 179.7° | 180.0° |
| C3 | C2 | C1 | O1 | 179.9° | 179.8° |
| C3 | C2 | C1 | N3 | 0.2° | 0.0° |
| C2 | C3 | N1 | C5 | 0.3° | 0.0° |
| C3 | C2 | O2 | H16 | 1.7° | 180.0° |
| C1 | C2 | C3 | N1 | 0.3° | 0.0° |
| C2 | C1 | O1 | N3 | 179.9° | 179.7° |
| C2 | C1 | N3 | C5 | 0.0° | 0.0° |
| C2 | C1 | N3 | H15 | 180.0° | 180.0° |
| C1 | C2 | O2 | H16 | 178.5° | 0.1° |
| C3 | N1 | C5 | N3 | 0.1° | 0.0° |
| C3 | N1 | C5 | C6 | 179.7° | 179.9° |
| O1 | C1 | N3 | C5 | 179.9° | 179.7° |
| O1 | C1 | N3 | H15 | 0.1° | 0.2° |
| C1 | N3 | C5 | N1 | 0.0° | 0.1° |
| C1 | N3 | C5 | H15 | 180.0° | 179.9° |
| C1 | N3 | C5 | C6 | 179.9° | 180.0° |
| N1 | C5 | N3 | C6 | 179.8° | 179.9° |
| N1 | C5 | C6 | N2 | 135.0° | 5.0° |
| N1 | C5 | C6 | C7 | 110.2° | 122.8° |
| N1 | C5 | C6 | H8 | 12.4° | 116.0° |
| N1 | C5 | N3 | H15 | 179.9° | 180.0° |
| N3 | C5 | C6 | N2 | 44.8° | 175.1° |
| N3 | C5 | C6 | C7 | 70.0° | 57.3° |
| N3 | C5 | C6 | H8 | 167.4° | 63.9° |
| C5 | C6 | N2 | C10 | 51.4° | 61.7° |
| C5 | C6 | N2 | C7 | 121.8° | 119.4° |
| C5 | C6 | N2 | H8 | 122.3° | 121.0° |
| C5 | C6 | C7 | H8 | 122.8° | 121.2° |
| C5 | C6 | N2 | C9 | 126.5° | 118.4° |
| C5 | C6 | C7 | C8 | 150.3° | 141.6° |
| C5 | C6 | C7 | H9 | 31.4° | 23.2° |
| C5 | C6 | C7 | H10 | 90.7° | 100.1° |
| C6 | C5 | N3 | H15 | 0.1° | 0.1° |
| O6 | C10 | C11 | O5 | 2.7° | 0.1° |
| O6 | C10 | C11 | N2 | 178.5° | 179.9° |
| O6 | C10 | N2 | C6 | 23.6° | 0.0° |
| O6 | C10 | N2 | C9 | 158.8° | 179.9° |
| O6 | C10 | C11 | H1 | 123.0° | 120.0° |
| O6 | C10 | C11 | H2 | 117.7° | 120.0° |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 180.0° | 179.9° |
| C14 | C13 | C12 | O5 | 179.7° | 179.7° |
| C14 | C13 | C12 | C17 | 0.5° | 0.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C13 | C12 | O5 | C17 | 179.3° | 179.7° |
| C13 | C12 | O5 | C11 | 175.2° | 0.2° |
| C13 | C12 | C17 | C16 | 0.5° | 0.0° |
| C12 | C13 | C14 | H4 | 179.8° | 180.0° |
| C13 | C12 | C17 | H7 | 179.5° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C13 | H3 | 179.9° | 179.9° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C12 | O5 | C11 | C10 | 76.9° | 180.0° |
| O5 | C12 | C17 | C16 | 179.8° | 179.8° |
| C12 | O5 | C11 | H1 | 43.4° | 60.0° |
| C12 | O5 | C11 | H2 | 162.8° | 60.0° |
| O5 | C12 | C13 | H3 | 0.3° | 0.3° |
| O5 | C12 | C17 | H7 | 0.2° | 0.3° |
| O5 | C11 | C10 | H1 | 120.3° | 119.9° |
| O5 | C11 | C10 | H2 | 120.3° | 120.0° |
| O5 | C11 | C10 | N2 | 175.8° | 180.0° |
| C11 | O5 | C12 | C17 | 4.0° | 180.0° |
| O5 | C11 | H1 | H2 | 119.1° | 120.0° |
| C11 | C10 | N2 | C6 | 157.9° | 180.0° |
| C11 | C10 | N2 | C9 | 19.7° | 0.0° |
| C10 | C11 | H1 | H2 | 119.0° | 120.0° |
| C10 | N2 | C6 | C9 | 177.9° | 179.9° |
| C10 | N2 | C6 | C7 | 173.1° | 178.9° |
| C10 | N2 | C9 | C8 | 159.9° | 155.8° |
| N2 | C10 | C11 | H1 | 55.5° | 60.1° |
| N2 | C10 | C11 | H2 | 63.9° | 60.0° |
| C10 | N2 | C6 | H8 | 70.9° | 59.3° |
| C10 | N2 | C9 | H13 | 41.2° | 85.3° |
| C10 | N2 | C9 | H14 | 81.3° | 36.9° |
| N2 | C6 | C7 | H8 | 116.6° | 119.5° |
| N2 | C6 | C7 | C8 | 29.8° | 22.2° |
| C6 | N2 | C9 | C8 | 22.2° | 24.1° |
| N2 | C6 | C7 | H9 | 89.2° | 96.1° |
| N2 | C6 | C7 | H10 | 148.7° | 140.5° |
| C6 | N2 | C9 | H13 | 141.0° | 94.8° |
| C6 | N2 | C9 | H14 | 96.5° | 143.0° |
| C7 | C6 | N2 | C9 | 4.8° | 1.0° |
| C6 | C7 | C8 | H9 | 119.0° | 118.4° |
| C6 | C7 | C8 | H10 | 118.9° | 118.3° |
| C6 | C7 | C8 | C9 | 43.8° | 35.5° |
| C6 | C7 | H9 | H10 | 123.0° | 123.2° |
| C6 | C7 | C8 | H11 | 162.5° | 153.6° |
| C6 | C7 | C8 | H12 | 74.9° | 82.6° |
| C12 | C17 | C16 | C15 | 0.3° | 0.0° |
| C12 | C17 | C16 | H7 | 180.0° | 180.0° |
| C17 | C12 | C13 | H3 | 179.6° | 180.0° |
| C12 | C17 | C16 | H6 | 179.7° | 180.0° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | H4 | 179.9° | 180.0° |
| C15 | C16 | C17 | H7 | 179.7° | 180.0° |
| N2 | C9 | C8 | C7 | 40.0° | 37.0° |
| N2 | C9 | C8 | H13 | 118.8° | 118.9° |
| N2 | C9 | C8 | H14 | 118.8° | 119.0° |
| C9 | N2 | C6 | H8 | 111.2° | 120.6° |
| N2 | C9 | C8 | H11 | 158.7° | 155.1° |
| N2 | C9 | C8 | H12 | 78.7° | 81.1° |
| N2 | C9 | H13 | H14 | 123.5° | 122.3° |
| C17 | C16 | C15 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | H11 | 118.7° | 118.1° |
| C7 | C8 | C9 | H12 | 118.7° | 118.1° |
| C8 | C7 | C6 | H8 | 86.8° | 97.2° |
| C8 | C7 | H9 | H10 | 123.0° | 123.3° |
| C7 | C8 | H11 | H12 | 123.6° | 123.9° |
| C7 | C8 | C9 | H13 | 158.8° | 81.8° |
| C7 | C8 | C9 | H14 | 78.8° | 156.0° |
| C9 | C8 | C7 | H9 | 75.1° | 82.8° |
| C9 | C8 | C7 | H10 | 162.7° | 153.8° |
| C9 | C8 | H11 | H12 | 123.7° | 123.9° |
| C8 | C9 | H13 | H14 | 123.5° | 122.2° |
| H3 | C13 | C14 | H4 | 0.1° | 0.1° |
| H4 | C14 | C15 | H5 | 0.0° | 0.1° |
| H5 | C15 | C16 | H6 | 0.0° | 0.0° |
| H6 | C16 | C17 | H7 | 0.3° | 0.0° |
| H8 | C6 | C7 | H9 | 154.2° | 144.4° |
| H8 | C6 | C7 | H10 | 32.1° | 21.1° |
| H9 | C7 | C8 | H11 | 43.6° | 35.2° |
| H9 | C7 | C8 | H12 | 166.1° | 159.1° |
| H10 | C7 | C8 | H11 | 78.5° | 88.1° |
| H10 | C7 | C8 | H12 | 44.0° | 35.7° |
| H11 | C8 | C9 | H13 | 82.5° | 36.2° |
| H11 | C8 | C9 | H14 | 39.9° | 85.9° |
| H12 | C8 | C9 | H13 | 40.1° | 160.0° |
| H12 | C8 | C9 | H14 | 162.5° | 37.9° |
