3JM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.21Å | 1.25Å | |
| C13 | C4 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | O19 | sing | 1.34Å | 1.24Å | |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| O11 | C10 | doub | 1.21Å | 1.24Å | |
| C3 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C10 | sing | 1.48Å | 1.51Å | |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.51Å | |
| C10 | O12 | sing | 1.35Å | 1.25Å | |
| O9 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O8 | sing | 1.35Å | 1.23Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C14 | 120.3° | 120.0° |
| O16 | C15 | O19 | 123.6° | 120.0° |
| C4 | C13 | C14 | 116.5° | 109.5° |
| C13 | C4 | C5 | 114.8° | 120.0° |
| C13 | C4 | C3 | 124.8° | 120.0° |
| C4 | C13 | H5 | 107.7° | 109.5° |
| C4 | C13 | H6 | 107.7° | 109.5° |
| C13 | C14 | C15 | 109.9° | 109.5° |
| C13 | C14 | H3 | 109.4° | 109.5° |
| C13 | C14 | H4 | 109.4° | 109.5° |
| C14 | C13 | H5 | 107.7° | 109.4° |
| C14 | C13 | H6 | 107.7° | 109.4° |
| C4 | C5 | C6 | 120.0° | 120.4° |
| C5 | C4 | C3 | 120.4° | 120.0° |
| C4 | C5 | H8 | 120.0° | 119.8° |
| C5 | C6 | C7 | 119.6° | 120.4° |
| C6 | C5 | H8 | 120.0° | 119.8° |
| C5 | C6 | H9 | 120.2° | 119.8° |
| C14 | C15 | O19 | 116.1° | 120.0° |
| C15 | C14 | H3 | 109.3° | 109.5° |
| C15 | C14 | H4 | 109.4° | 109.4° |
| C15 | O19 | H2 | 109.5° | 117.1° |
| C4 | C3 | C2 | 119.3° | 119.6° |
| C4 | C3 | C10 | 121.2° | 120.2° |
| C6 | C7 | C2 | 121.2° | 120.0° |
| C6 | C7 | H1 | 119.4° | 120.0° |
| C7 | C6 | H9 | 120.2° | 119.8° |
| O11 | C10 | C3 | 121.5° | 120.0° |
| O11 | C10 | O12 | 119.8° | 120.0° |
| C2 | C3 | C10 | 119.5° | 120.2° |
| C3 | C2 | C7 | 119.6° | 119.6° |
| C3 | C2 | C1 | 123.6° | 120.2° |
| C3 | C10 | O12 | 118.7° | 120.0° |
| C7 | C2 | C1 | 116.9° | 120.2° |
| C2 | C7 | H1 | 119.4° | 120.0° |
| C2 | C1 | O9 | 121.0° | 120.0° |
| C2 | C1 | O8 | 119.8° | 120.0° |
| C10 | O12 | H7 | 109.5° | 117.0° |
| O9 | C1 | O8 | 119.1° | 120.0° |
| C1 | O8 | H10 | 109.5° | 117.0° |
| H3 | C14 | H4 | 109.4° | 109.4° |
| H5 | C13 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C14 | C13 | 19.9° | 0.0° |
| O16 | C15 | C14 | O19 | 179.7° | 180.0° |
| O16 | C15 | O19 | H2 | 0.0° | 0.0° |
| O16 | C15 | C14 | H3 | 140.0° | 120.0° |
| O16 | C15 | C14 | H4 | 100.2° | 120.0° |
| C4 | C13 | C14 | H5 | 121.0° | 120.0° |
| C4 | C13 | C14 | H6 | 121.0° | 120.0° |
| C13 | C4 | C5 | C3 | 177.8° | 179.5° |
| C13 | C4 | C5 | C6 | 179.3° | 179.8° |
| C4 | C13 | C14 | C15 | 166.0° | 180.0° |
| C13 | C4 | C3 | C2 | 179.3° | 180.0° |
| C13 | C4 | C3 | C10 | 2.8° | 0.5° |
| C4 | C13 | C14 | H3 | 45.9° | 60.0° |
| C4 | C13 | C14 | H4 | 73.9° | 60.0° |
| C4 | C13 | H5 | H6 | 116.8° | 120.1° |
| C13 | C4 | C5 | H8 | 0.7° | 0.5° |
| C14 | C13 | C4 | C5 | 145.0° | 95.5° |
| C13 | C14 | C15 | H3 | 120.1° | 120.1° |
| C13 | C14 | C15 | H4 | 120.1° | 120.0° |
| C13 | C14 | C15 | O19 | 160.4° | 180.0° |
| C14 | C13 | C4 | C3 | 37.3° | 85.0° |
| C13 | C14 | H3 | H4 | 119.8° | 120.0° |
| C14 | C13 | H5 | H6 | 116.8° | 120.0° |
| C4 | C5 | C6 | H8 | 180.0° | 179.3° |
| C4 | C5 | C6 | C7 | 0.6° | 0.5° |
| C5 | C4 | C3 | C2 | 1.7° | 0.5° |
| C5 | C4 | C3 | C10 | 179.6° | 180.0° |
| C5 | C4 | C13 | H5 | 94.0° | 144.5° |
| C5 | C4 | C13 | H6 | 24.0° | 24.5° |
| C4 | C5 | C6 | H9 | 179.4° | 179.5° |
| C6 | C5 | C4 | C3 | 1.5° | 0.7° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.0° |
| C5 | C6 | C7 | H1 | 179.9° | 179.8° |
| C14 | C15 | O19 | H2 | 179.7° | 180.0° |
| C15 | C14 | H3 | H4 | 119.8° | 119.9° |
| C15 | C14 | C13 | H5 | 73.0° | 60.0° |
| C15 | C14 | C13 | H6 | 45.0° | 60.0° |
| O19 | C15 | C14 | H3 | 40.3° | 59.9° |
| O19 | C15 | C14 | H4 | 79.5° | 60.0° |
| C4 | C3 | C10 | O11 | 79.2° | 90.0° |
| C4 | C3 | C2 | C10 | 177.9° | 179.5° |
| C4 | C3 | C2 | C7 | 1.1° | 0.0° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C4 | C3 | C10 | O12 | 99.1° | 89.9° |
| C3 | C4 | C13 | H5 | 83.7° | 34.9° |
| C3 | C4 | C13 | H6 | 158.3° | 155.0° |
| C3 | C4 | C5 | H8 | 178.5° | 179.9° |
| C6 | C7 | C2 | C3 | 0.3° | 0.2° |
| C6 | C7 | C2 | H1 | 180.0° | 179.8° |
| C6 | C7 | C2 | C1 | 179.5° | 179.7° |
| C7 | C6 | C5 | H8 | 179.4° | 179.8° |
| O11 | C10 | C3 | C2 | 103.0° | 90.5° |
| O11 | C10 | C3 | O12 | 178.3° | 180.0° |
| O11 | C10 | O12 | H7 | 0.0° | 0.0° |
| C3 | C2 | C7 | C1 | 179.2° | 180.0° |
| C2 | C3 | C10 | O12 | 78.7° | 89.5° |
| C3 | C2 | C1 | O9 | 55.5° | 0.1° |
| C3 | C2 | C1 | O8 | 127.5° | 180.0° |
| C3 | C2 | C7 | H1 | 179.7° | 180.0° |
| C10 | C3 | C2 | C7 | 179.0° | 179.5° |
| C10 | C3 | C2 | C1 | 1.8° | 0.5° |
| C3 | C10 | O12 | H7 | 178.3° | 180.0° |
| C7 | C2 | C1 | O9 | 123.6° | 180.0° |
| C7 | C2 | C1 | O8 | 53.3° | 0.0° |
| C2 | C7 | C6 | H9 | 180.0° | 180.0° |
| C2 | C1 | O9 | O8 | 176.9° | 180.0° |
| C1 | C2 | C7 | H1 | 0.5° | 0.0° |
| C2 | C1 | O8 | H10 | 176.9° | 179.9° |
| O9 | C1 | O8 | H10 | 0.0° | 0.0° |
| H1 | C7 | C6 | H9 | 0.1° | 0.3° |
| H3 | C14 | C13 | H5 | 167.0° | 180.0° |
| H3 | C14 | C13 | H6 | 75.1° | 60.0° |
| H4 | C14 | C13 | H5 | 47.1° | 60.0° |
| H4 | C14 | C13 | H6 | 165.1° | 180.0° |
| H8 | C5 | C6 | H9 | 0.6° | 0.2° |
