0GI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C12 | doub | 1.21Å | 1.26Å | |
| O3 | C12 | sing | 1.34Å | 1.26Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C10 | C8 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C1 | sing | 1.51Å | 1.52Å | |
| C6 | C1 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.42Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| O1 | C9 | doub | 1.22Å | 1.26Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.47Å | 1.52Å | |
| C7 | N1 | sing | 1.38Å | 1.31Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.37Å | 1.33Å | Aromatic |
| C9 | O2 | sing | 1.35Å | 1.25Å | |
| C3 | N2 | sing | 1.48Å | 1.45Å | |
| N2 | O6 | doub | 1.22Å | 1.40Å | |
| N2 | O5 | sing | 1.22Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C12 | O3 | 119.8° | 120.0° |
| O4 | C12 | C11 | 120.2° | 120.0° |
| O3 | C12 | C11 | 120.0° | 120.0° |
| C12 | O3 | H18 | 109.5° | 117.0° |
| C12 | C11 | C10 | 113.1° | 109.5° |
| C12 | C11 | H10 | 108.6° | 109.4° |
| C12 | C11 | H11 | 108.6° | 109.5° |
| C11 | C10 | C8 | 113.1° | 109.5° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.5° |
| C10 | C11 | H10 | 108.6° | 109.5° |
| C10 | C11 | H11 | 108.6° | 109.5° |
| C16 | C14 | C13 | 110.0° | 109.5° |
| C16 | C14 | C15 | 111.1° | 109.5° |
| C16 | C14 | H12 | 108.1° | 109.5° |
| C14 | C16 | H13 | 109.5° | 109.5° |
| C14 | C16 | H14 | 109.4° | 109.4° |
| C14 | C16 | H15 | 109.5° | 109.4° |
| C10 | C8 | C5 | 128.0° | 126.1° |
| C10 | C8 | C7 | 125.6° | 126.2° |
| C8 | C10 | H1 | 108.5° | 109.5° |
| C8 | C10 | H2 | 108.6° | 109.5° |
| C14 | C13 | C1 | 112.8° | 109.5° |
| C13 | C14 | C15 | 111.1° | 109.5° |
| C14 | C13 | H3 | 108.6° | 109.4° |
| C14 | C13 | H4 | 108.7° | 109.4° |
| C13 | C14 | H12 | 108.2° | 109.5° |
| C13 | C1 | C6 | 119.7° | 119.7° |
| C13 | C1 | C2 | 120.3° | 119.7° |
| C1 | C13 | H3 | 108.6° | 109.5° |
| C1 | C13 | H4 | 108.6° | 109.5° |
| C1 | C6 | C5 | 120.3° | 119.8° |
| C6 | C1 | C2 | 120.1° | 120.6° |
| C1 | C6 | H9 | 119.8° | 120.1° |
| C6 | C5 | C8 | 134.5° | 133.4° |
| C6 | C5 | C4 | 119.6° | 119.7° |
| C5 | C6 | H9 | 119.9° | 120.1° |
| C14 | C15 | H5 | 109.5° | 109.4° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C15 | C14 | H12 | 108.1° | 109.5° |
| C1 | C2 | C3 | 119.9° | 120.7° |
| C1 | C2 | H8 | 120.1° | 119.6° |
| C5 | C8 | C7 | 106.5° | 107.7° |
| C8 | C5 | C4 | 105.9° | 107.0° |
| C8 | C7 | C9 | 125.9° | 125.4° |
| C8 | C7 | N1 | 108.4° | 109.1° |
| C5 | C4 | C3 | 120.2° | 119.5° |
| C5 | C4 | N1 | 108.6° | 107.4° |
| O1 | C9 | C7 | 120.6° | 120.0° |
| O1 | C9 | O2 | 120.3° | 120.0° |
| C2 | C3 | C4 | 119.9° | 119.8° |
| C2 | C3 | N2 | 119.8° | 120.1° |
| C3 | C2 | H8 | 120.1° | 119.7° |
| C9 | C7 | N1 | 125.6° | 125.5° |
| C7 | C9 | O2 | 119.1° | 120.0° |
| C7 | N1 | C4 | 110.6° | 108.8° |
| C7 | N1 | H16 | 124.7° | 125.6° |
| C3 | C4 | N1 | 131.2° | 133.1° |
| C4 | C3 | N2 | 120.2° | 120.1° |
| C4 | N1 | H16 | 124.7° | 125.6° |
| C9 | O2 | H17 | 109.5° | 117.0° |
| C3 | N2 | O6 | 119.8° | 120.0° |
| C3 | N2 | O5 | 120.2° | 120.0° |
| O6 | N2 | O5 | 119.9° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.4° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C12 | O3 | C11 | 179.8° | 180.0° |
| O4 | C12 | C11 | C10 | 32.8° | 0.0° |
| O4 | C12 | C11 | H10 | 87.8° | 120.0° |
| O4 | C12 | C11 | H11 | 153.3° | 120.0° |
| O4 | C12 | O3 | H18 | 0.0° | 0.0° |
| O3 | C12 | C11 | C10 | 147.4° | 180.0° |
| O3 | C12 | C11 | H10 | 92.0° | 60.0° |
| O3 | C12 | C11 | H11 | 26.9° | 60.0° |
| C12 | C11 | C10 | H10 | 120.5° | 120.0° |
| C12 | C11 | C10 | H11 | 120.5° | 120.0° |
| C12 | C11 | C10 | C8 | 99.4° | 180.0° |
| C12 | C11 | C10 | H1 | 21.1° | 60.0° |
| C12 | C11 | C10 | H2 | 140.1° | 60.0° |
| C12 | C11 | H10 | H11 | 118.4° | 120.0° |
| C11 | C12 | O3 | H18 | 179.8° | 180.0° |
| C11 | C10 | C8 | H1 | 120.5° | 120.0° |
| C11 | C10 | C8 | H2 | 120.5° | 120.0° |
| C11 | C10 | C8 | C5 | 56.2° | 90.0° |
| C11 | C10 | C8 | C7 | 124.1° | 90.0° |
| C11 | C10 | H1 | H2 | 118.4° | 120.0° |
| C10 | C11 | H10 | H11 | 118.4° | 120.0° |
| C16 | C14 | C13 | C15 | 123.5° | 120.0° |
| C16 | C14 | C13 | H12 | 117.9° | 120.0° |
| C16 | C14 | C13 | C1 | 170.2° | 175.0° |
| C16 | C14 | C15 | H12 | 118.5° | 120.0° |
| C16 | C14 | C13 | H3 | 49.7° | 65.0° |
| C16 | C14 | C13 | H4 | 69.3° | 55.0° |
| C16 | C14 | C15 | H5 | 180.0° | 60.0° |
| C16 | C14 | C15 | H6 | 60.0° | 180.0° |
| C16 | C14 | C15 | H7 | 60.0° | 60.0° |
| C14 | C16 | H13 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H15 | 120.0° | 120.0° |
| C14 | C16 | H14 | H15 | 120.0° | 119.9° |
| C10 | C8 | C5 | C6 | 0.0° | 0.3° |
| C10 | C8 | C5 | C7 | 179.8° | 180.0° |
| C10 | C8 | C5 | C4 | 179.9° | 180.0° |
| C10 | C8 | C7 | C9 | 0.5° | 0.0° |
| C10 | C8 | C7 | N1 | 179.9° | 180.0° |
| C8 | C10 | H1 | H2 | 118.3° | 120.0° |
| C8 | C10 | C11 | H10 | 140.1° | 60.0° |
| C8 | C10 | C11 | H11 | 21.1° | 60.0° |
| C14 | C13 | C1 | H3 | 120.5° | 119.9° |
| C14 | C13 | C1 | H4 | 120.5° | 120.0° |
| C14 | C13 | C1 | C6 | 115.1° | 90.3° |
| C13 | C14 | C15 | H12 | 118.6° | 120.0° |
| C14 | C13 | C1 | C2 | 65.1° | 90.0° |
| C14 | C13 | H3 | H4 | 118.5° | 119.9° |
| C13 | C14 | C15 | H5 | 57.1° | 180.0° |
| C13 | C14 | C15 | H6 | 62.9° | 60.0° |
| C13 | C14 | C15 | H7 | 177.1° | 60.0° |
| C13 | C14 | C16 | H13 | 180.0° | 60.0° |
| C13 | C14 | C16 | H14 | 60.0° | 180.0° |
| C13 | C14 | C16 | H15 | 60.0° | 60.0° |
| C13 | C1 | C6 | C2 | 179.7° | 179.7° |
| C13 | C1 | C6 | C5 | 179.9° | 179.8° |
| C1 | C13 | C14 | C15 | 66.2° | 65.0° |
| C13 | C1 | C2 | C3 | 179.9° | 180.0° |
| C1 | C13 | H3 | H4 | 118.5° | 120.1° |
| C13 | C1 | C2 | H8 | 0.1° | 0.1° |
| C13 | C1 | C6 | H9 | 0.1° | 0.0° |
| C1 | C13 | C14 | H12 | 52.3° | 55.0° |
| C1 | C6 | C5 | H9 | 180.0° | 179.8° |
| C1 | C6 | C5 | C8 | 179.9° | 179.8° |
| C1 | C6 | C5 | C4 | 0.2° | 0.5° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | C13 | H3 | 124.4° | 29.7° |
| C6 | C1 | C13 | H4 | 5.4° | 149.8° |
| C6 | C1 | C2 | H8 | 179.9° | 179.8° |
| C5 | C6 | C1 | C2 | 0.2° | 0.5° |
| C6 | C5 | C8 | C4 | 179.9° | 179.7° |
| C6 | C5 | C8 | C7 | 179.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C6 | C5 | C4 | N1 | 180.0° | 179.8° |
| C15 | C14 | C13 | H3 | 173.3° | 55.0° |
| C15 | C14 | C13 | H4 | 54.3° | 175.0° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C14 | C16 | H13 | 56.5° | 180.0° |
| C15 | C14 | C16 | H14 | 63.5° | 60.0° |
| C15 | C14 | C16 | H15 | 176.4° | 60.0° |
| C1 | C2 | C3 | H8 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | N2 | 179.9° | 180.0° |
| C2 | C1 | C13 | H3 | 55.4° | 150.1° |
| C2 | C1 | C13 | H4 | 174.4° | 30.0° |
| C2 | C1 | C6 | H9 | 179.9° | 179.8° |
| C5 | C8 | C7 | C9 | 179.7° | 180.0° |
| C5 | C8 | C7 | N1 | 0.2° | 0.0° |
| C8 | C5 | C4 | C3 | 179.9° | 180.0° |
| C8 | C5 | C4 | N1 | 0.0° | 0.0° |
| C5 | C8 | C10 | H1 | 64.4° | 150.0° |
| C5 | C8 | C10 | H2 | 176.7° | 30.0° |
| C8 | C5 | C6 | H9 | 0.0° | 0.1° |
| C7 | C8 | C5 | C4 | 0.1° | 0.0° |
| C8 | C7 | C9 | O1 | 52.6° | 0.0° |
| C8 | C7 | C9 | N1 | 179.4° | 179.9° |
| C8 | C7 | N1 | C4 | 0.3° | 0.1° |
| C8 | C7 | C9 | O2 | 127.2° | 180.0° |
| C7 | C8 | C10 | H1 | 115.4° | 30.0° |
| C7 | C8 | C10 | H2 | 3.5° | 150.0° |
| C8 | C7 | N1 | H16 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | N1 | C7 | 0.2° | 0.0° |
| C5 | C4 | C3 | N1 | 179.8° | 180.0° |
| C5 | C4 | C3 | N2 | 179.9° | 180.0° |
| C4 | C5 | C6 | H9 | 179.9° | 179.7° |
| C5 | C4 | N1 | H16 | 179.8° | 180.0° |
| O1 | C9 | C7 | O2 | 179.7° | 179.9° |
| O1 | C9 | C7 | N1 | 128.0° | 179.9° |
| O1 | C9 | O2 | H17 | 0.0° | 0.1° |
| C2 | C3 | C4 | N2 | 179.7° | 180.0° |
| C2 | C3 | C4 | N1 | 180.0° | 180.0° |
| C2 | C3 | N2 | O6 | 3.9° | 0.0° |
| C2 | C3 | N2 | O5 | 175.6° | 180.0° |
| C9 | C7 | N1 | C4 | 179.8° | 180.0° |
| C9 | C7 | N1 | H16 | 0.2° | 0.0° |
| C7 | C9 | O2 | H17 | 179.7° | 180.0° |
| C7 | N1 | C4 | C3 | 180.0° | 180.0° |
| C7 | N1 | C4 | H16 | 180.0° | 180.0° |
| N1 | C7 | C9 | O2 | 52.3° | 0.0° |
| C4 | C3 | N2 | O6 | 176.5° | 180.0° |
| C4 | C3 | N2 | O5 | 4.0° | 0.0° |
| C4 | C3 | C2 | H8 | 179.8° | 180.0° |
| C3 | C4 | N1 | H16 | 0.0° | 0.0° |
| N1 | C4 | C3 | N2 | 0.3° | 0.0° |
| C3 | N2 | O6 | O5 | 179.5° | 179.9° |
| N2 | C3 | C2 | H8 | 0.2° | 0.0° |
| H1 | C10 | C11 | H10 | 99.4° | 180.0° |
| H1 | C10 | C11 | H11 | 141.7° | 60.0° |
| H2 | C10 | C11 | H10 | 19.6° | 60.0° |
| H2 | C10 | C11 | H11 | 99.4° | NaN° |
| H3 | C13 | C14 | H12 | 68.2° | 175.0° |
| H4 | C13 | C14 | H12 | 172.8° | 65.0° |
| H5 | C15 | H6 | H7 | 119.9° | 120.0° |
| H5 | C15 | C14 | H12 | 61.5° | 60.0° |
| H6 | C15 | C14 | H12 | 178.5° | 60.0° |
| H7 | C15 | C14 | H12 | 58.5° | 180.0° |
| H12 | C14 | C16 | H13 | 62.0° | 60.0° |
| H12 | C14 | C16 | H14 | 178.0° | 60.0° |
| H12 | C14 | C16 | H15 | 57.9° | 180.0° |
| H13 | C16 | H14 | H15 | 120.0° | 120.1° |
