1GM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C14 | sing | 1.36Å | 1.35Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | O02 | sing | 1.36Å | 1.36Å | |
| C16 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.35Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C10 | N01 | sing | 1.35Å | 1.34Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.34Å | Aromatic |
| C02 | N01 | sing | 1.47Å | 1.49Å | |
| N01 | N02 | sing | 1.40Å | 1.14Å | Aromatic |
| C08 | C09 | sing | 1.41Å | 1.36Å | Aromatic |
| C08 | C07 | doub | 1.36Å | 1.41Å | Aromatic |
| C09 | C03 | sing | 1.47Å | 1.35Å | Aromatic |
| N02 | C03 | doub | 1.32Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.37Å | Aromatic |
| C06 | C04 | doub | 1.36Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.42Å | |
| F01 | C05 | sing | 1.40Å | 1.34Å | |
| C05 | F02 | sing | 1.40Å | 1.34Å | |
| C05 | F03 | sing | 1.40Å | 1.35Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| O02 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C14 | C15 | 119.8° | 119.8° |
| O01 | C14 | C13 | 119.8° | 119.9° |
| C14 | O01 | H11 | 109.5° | 114.0° |
| C15 | C14 | C13 | 120.5° | 120.3° |
| C14 | C15 | C16 | 119.0° | 120.1° |
| C14 | C15 | H12 | 120.5° | 120.0° |
| C14 | C13 | C12 | 120.7° | 120.2° |
| C14 | C13 | H10 | 119.7° | 119.9° |
| C15 | C16 | O02 | 119.9° | 120.2° |
| C15 | C16 | C11 | 120.8° | 119.8° |
| C16 | C15 | H12 | 120.5° | 119.9° |
| C13 | C12 | C11 | 118.8° | 119.9° |
| C13 | C12 | H9 | 120.6° | 120.0° |
| C12 | C13 | H10 | 119.6° | 119.9° |
| O02 | C16 | C11 | 119.3° | 120.1° |
| C16 | O02 | H13 | 109.5° | 114.0° |
| C16 | C11 | C12 | 120.2° | 119.8° |
| C16 | C11 | C10 | 121.5° | 120.1° |
| C12 | C11 | C10 | 118.3° | 120.1° |
| C11 | C12 | H9 | 120.6° | 120.0° |
| C11 | C10 | N01 | 126.6° | 126.2° |
| C11 | C10 | C09 | 125.6° | 126.2° |
| C01 | C02 | N01 | 112.6° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C01 | C02 | H4 | 108.7° | 109.5° |
| C01 | C02 | H5 | 108.7° | 109.4° |
| N01 | C10 | C09 | 107.8° | 107.5° |
| C10 | N01 | C02 | 129.6° | 125.1° |
| C10 | N01 | N02 | 108.7° | 109.8° |
| C10 | C09 | C08 | 133.8° | 134.8° |
| C10 | C09 | C03 | 104.5° | 106.3° |
| C02 | N01 | N02 | 121.7° | 125.1° |
| N01 | C02 | H4 | 108.7° | 109.5° |
| N01 | C02 | H5 | 108.7° | 109.5° |
| N01 | N02 | C03 | 114.3° | 109.3° |
| C09 | C08 | C07 | 119.6° | 119.6° |
| C08 | C09 | C03 | 121.7° | 118.9° |
| C09 | C08 | H8 | 120.2° | 120.2° |
| C08 | C07 | C06 | 118.8° | 121.7° |
| C08 | C07 | H7 | 120.6° | 119.1° |
| C07 | C08 | H8 | 120.2° | 120.2° |
| C09 | C03 | N02 | 104.7° | 107.0° |
| C09 | C03 | C04 | 122.3° | 118.5° |
| N02 | C03 | C04 | 133.1° | 134.5° |
| C07 | C06 | C04 | 120.1° | 121.7° |
| C07 | C06 | H6 | 120.0° | 119.1° |
| C06 | C07 | H7 | 120.6° | 119.2° |
| C03 | C04 | C06 | 117.6° | 119.6° |
| C03 | C04 | C05 | 121.3° | 120.2° |
| C06 | C04 | C05 | 121.0° | 120.2° |
| C04 | C06 | H6 | 120.0° | 119.1° |
| C04 | C05 | F01 | 109.4° | 109.5° |
| C04 | C05 | F02 | 112.3° | 109.5° |
| C04 | C05 | F03 | 114.6° | 109.5° |
| F01 | C05 | F02 | 108.3° | 109.5° |
| F01 | C05 | F03 | 106.7° | 109.4° |
| F02 | C05 | F03 | 105.2° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C14 | C15 | C13 | 179.9° | 179.8° |
| O01 | C14 | C15 | C16 | 179.9° | 180.0° |
| O01 | C14 | C13 | C12 | 179.9° | 179.8° |
| O01 | C14 | C13 | H10 | 0.1° | 0.2° |
| O01 | C14 | C15 | H12 | 0.1° | 0.1° |
| C14 | C15 | C16 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C16 | O02 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.2° | 0.5° |
| C15 | C14 | C13 | H10 | 179.8° | 180.0° |
| C15 | C14 | O01 | H11 | 180.0° | 90.1° |
| C13 | C14 | C15 | C16 | 0.0° | 0.2° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H9 | 179.8° | 179.9° |
| C13 | C14 | O01 | H11 | 0.0° | 89.7° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C15 | C16 | O02 | C11 | 179.8° | 179.5° |
| C15 | C16 | C11 | C12 | 0.1° | 0.5° |
| C15 | C16 | C11 | C10 | 180.0° | 179.8° |
| C15 | C16 | O02 | H13 | 180.0° | 90.0° |
| C13 | C12 | C11 | C16 | 0.0° | 0.3° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| O02 | C16 | C11 | C12 | 180.0° | 180.0° |
| O02 | C16 | C11 | C10 | 0.1° | 0.3° |
| O02 | C16 | C15 | H12 | 0.0° | 0.2° |
| C16 | C11 | C12 | C10 | 179.9° | 179.7° |
| C16 | C11 | C10 | N01 | 56.1° | 90.3° |
| C16 | C11 | C10 | C09 | 124.5° | 89.9° |
| C16 | C11 | C12 | H9 | 179.9° | 179.8° |
| C11 | C16 | C15 | H12 | 179.8° | 179.7° |
| C11 | C16 | O02 | H13 | 0.1° | 90.5° |
| C12 | C11 | C10 | N01 | 124.0° | 90.0° |
| C12 | C11 | C10 | C09 | 55.4° | 89.8° |
| C11 | C12 | C13 | H10 | 179.8° | 180.0° |
| C11 | C10 | N01 | C09 | 179.5° | 179.9° |
| C11 | C10 | N01 | C02 | 0.5° | 0.0° |
| C11 | C10 | N01 | N02 | 179.7° | 179.7° |
| C11 | C10 | C09 | C08 | 0.4° | 0.0° |
| C11 | C10 | C09 | C03 | 179.6° | 179.7° |
| C10 | C11 | C12 | H9 | 0.2° | 0.1° |
| C01 | C02 | N01 | C10 | 113.7° | 90.3° |
| C01 | C02 | N01 | H4 | 120.5° | 120.0° |
| C01 | C02 | N01 | H5 | 120.5° | 119.9° |
| C01 | C02 | N01 | N02 | 66.1° | 90.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.6° | 120.0° |
| C10 | N01 | C02 | N02 | 179.8° | 179.6° |
| N01 | C10 | C09 | C08 | 179.9° | 179.8° |
| N01 | C10 | C09 | C03 | 0.2° | 0.4° |
| C10 | N01 | N02 | C03 | 0.2° | 0.3° |
| C10 | N01 | C02 | H4 | 125.8° | 149.7° |
| C10 | N01 | C02 | H5 | 6.7° | 29.7° |
| C09 | C10 | N01 | C02 | 180.0° | 179.9° |
| C09 | C10 | N01 | N02 | 0.2° | 0.4° |
| C10 | C09 | C08 | C03 | 179.9° | 179.8° |
| C10 | C09 | C08 | C07 | 179.8° | 179.7° |
| C10 | C09 | C03 | N02 | 0.1° | 0.2° |
| C10 | C09 | C03 | C04 | 179.8° | 179.8° |
| C10 | C09 | C08 | H8 | 0.2° | 0.2° |
| C02 | N01 | N02 | C03 | 180.0° | 180.0° |
| N01 | C02 | C01 | H1 | 180.0° | 60.0° |
| N01 | C02 | C01 | H2 | 60.0° | 60.0° |
| N01 | C02 | C01 | H3 | 60.0° | 180.0° |
| N01 | C02 | H4 | H5 | 118.6° | 120.0° |
| N01 | N02 | C03 | C09 | 0.0° | 0.1° |
| N01 | N02 | C03 | C04 | 179.9° | 180.0° |
| N02 | N01 | C02 | H4 | 54.4° | 29.9° |
| N02 | N01 | C02 | H5 | 173.5° | 150.0° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C08 | C09 | C03 | N02 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C08 | C09 | C03 | C04 | 0.1° | 0.1° |
| C09 | C08 | C07 | H7 | 180.0° | 180.0° |
| C07 | C08 | C09 | C03 | 0.1° | 0.0° |
| C08 | C07 | C06 | H7 | 180.0° | 179.9° |
| C08 | C07 | C06 | C04 | 0.1° | 0.1° |
| C08 | C07 | C06 | H6 | 179.9° | 180.0° |
| C09 | C03 | N02 | C04 | 179.9° | 179.9° |
| C09 | C03 | C04 | C06 | 0.0° | 0.0° |
| C09 | C03 | C04 | C05 | 179.8° | 180.0° |
| C03 | C09 | C08 | H8 | 179.9° | 180.0° |
| N02 | C03 | C04 | C06 | 179.9° | 180.0° |
| N02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C07 | C06 | C04 | C03 | 0.1° | 0.1° |
| C07 | C06 | C04 | H6 | 180.0° | 179.9° |
| C07 | C06 | C04 | C05 | 179.9° | 180.0° |
| C06 | C07 | C08 | H8 | 180.0° | 180.0° |
| C03 | C04 | C06 | C05 | 179.8° | 180.0° |
| C03 | C04 | C05 | F01 | 73.0° | 60.0° |
| C03 | C04 | C05 | F02 | 47.2° | 180.0° |
| C03 | C04 | C05 | F03 | 167.1° | 60.0° |
| C03 | C04 | C06 | H6 | 180.0° | 180.0° |
| C06 | C04 | C05 | F01 | 106.8° | 120.0° |
| C06 | C04 | C05 | F02 | 133.0° | 0.0° |
| C06 | C04 | C05 | F03 | 13.1° | 120.1° |
| C04 | C06 | C07 | H7 | 179.9° | 180.0° |
| C04 | C05 | F01 | F02 | 122.7° | 120.0° |
| C04 | C05 | F01 | F03 | 124.6° | 120.0° |
| C04 | C05 | F02 | F03 | 125.3° | 120.0° |
| C05 | C04 | C06 | H6 | 0.1° | 0.0° |
| F01 | C05 | F02 | F03 | 113.8° | 119.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.5° | 60.0° |
| H1 | C01 | C02 | H5 | 59.6° | 180.0° |
| H2 | C01 | C02 | H4 | 60.5° | 180.0° |
| H2 | C01 | C02 | H5 | 179.5° | 60.0° |
| H3 | C01 | C02 | H4 | 179.5° | 60.0° |
| H3 | C01 | C02 | H5 | 60.4° | 60.0° |
| H6 | C06 | C07 | H7 | 0.1° | 0.0° |
| H7 | C07 | C08 | H8 | 0.0° | 0.0° |
| H9 | C12 | C13 | H10 | 0.2° | 0.1° |
