5M2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.44Å | |
| O12 | C11 | doub | 1.22Å | 1.35Å | |
| C09 | C10 | sing | 1.47Å | 1.47Å | Aromatic |
| C09 | C08 | doub | 1.34Å | 1.30Å | Aromatic |
| C02 | C10 | doub | 1.39Å | 1.27Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.47Å | Aromatic |
| O15 | C14 | sing | 1.35Å | 1.39Å | |
| C10 | C06 | sing | 1.41Å | 1.47Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.49Å | Aromatic |
| C11 | C03 | sing | 1.48Å | 1.48Å | |
| C11 | C13 | sing | 1.47Å | 1.31Å | |
| C03 | C04 | doub | 1.40Å | 1.37Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.30Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.59Å | |
| C14 | C16 | sing | 1.48Å | 1.58Å | |
| C04 | C05 | sing | 1.36Å | 1.32Å | Aromatic |
| O17 | C16 | doub | 1.21Å | 1.27Å | |
| C16 | O18 | sing | 1.35Å | 1.27Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| N07 | H7 | sing | 0.97Å | 1.00Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å | |
| O18 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C10 | 118.5° | 120.3° |
| C01 | C02 | C03 | 123.0° | 120.3° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| O12 | C11 | C03 | 117.1° | 120.0° |
| O12 | C11 | C13 | 121.5° | 120.0° |
| C10 | C09 | C08 | 106.9° | 106.9° |
| C09 | C10 | C02 | 134.2° | 133.9° |
| C09 | C10 | C06 | 106.3° | 106.0° |
| C10 | C09 | H9 | 126.6° | 126.6° |
| C09 | C08 | N07 | 110.1° | 110.0° |
| C09 | C08 | H8 | 125.0° | 125.0° |
| C08 | C09 | H9 | 126.6° | 126.5° |
| C10 | C02 | C03 | 118.4° | 119.4° |
| C02 | C10 | C06 | 119.4° | 120.0° |
| C02 | C03 | C11 | 122.7° | 120.0° |
| C02 | C03 | C04 | 120.3° | 120.0° |
| O15 | C14 | C13 | 117.1° | 120.0° |
| O15 | C14 | C16 | 115.4° | 120.0° |
| C14 | O15 | H12 | 109.5° | 114.0° |
| C10 | C06 | N07 | 108.2° | 107.1° |
| C10 | C06 | C05 | 121.9° | 119.6° |
| C08 | N07 | C06 | 108.4° | 110.0° |
| C08 | N07 | H7 | 125.8° | 125.1° |
| N07 | C08 | H8 | 124.9° | 125.0° |
| C03 | C11 | C13 | 121.3° | 120.0° |
| C11 | C03 | C04 | 117.0° | 120.0° |
| C11 | C13 | C14 | 123.0° | 120.0° |
| C11 | C13 | H1 | 118.5° | 120.0° |
| C03 | C04 | C05 | 122.7° | 120.7° |
| C03 | C04 | H5 | 118.6° | 119.7° |
| N07 | C06 | C05 | 129.9° | 133.3° |
| C06 | N07 | H7 | 125.8° | 124.9° |
| C06 | C05 | C04 | 117.3° | 120.2° |
| C06 | C05 | H6 | 121.4° | 119.8° |
| C13 | C14 | C16 | 121.5° | 120.0° |
| C14 | C13 | H1 | 118.5° | 120.0° |
| C14 | C16 | O17 | 115.5° | 120.0° |
| C14 | C16 | O18 | 116.3° | 120.0° |
| C05 | C04 | H5 | 118.6° | 119.6° |
| C04 | C05 | H6 | 121.4° | 120.0° |
| O17 | C16 | O18 | 128.2° | 120.0° |
| C16 | O18 | H13 | 109.5° | 117.0° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C10 | C09 | 0.7° | 0.2° |
| C01 | C02 | C10 | C03 | 179.8° | 180.0° |
| C01 | C02 | C10 | C06 | 179.4° | 180.0° |
| C01 | C02 | C03 | C11 | 1.3° | 0.0° |
| C01 | C02 | C03 | C04 | 179.8° | 180.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 119.9° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O12 | C11 | C03 | C02 | 52.6° | 6.1° |
| O12 | C11 | C03 | C13 | 177.1° | 179.9° |
| O12 | C11 | C03 | C04 | 126.0° | 174.0° |
| O12 | C11 | C13 | C14 | 13.1° | 0.1° |
| O12 | C11 | C13 | H1 | 166.9° | 180.0° |
| C10 | C09 | C08 | H9 | 180.0° | 179.7° |
| C09 | C10 | C02 | C06 | 178.7° | 179.8° |
| C09 | C10 | C02 | C03 | 179.1° | 179.7° |
| C10 | C09 | C08 | N07 | 0.0° | 0.3° |
| C09 | C10 | C06 | N07 | 0.9° | 0.2° |
| C09 | C10 | C06 | C05 | 179.8° | 179.8° |
| C10 | C09 | C08 | H8 | 180.0° | 179.9° |
| C08 | C09 | C10 | C02 | 179.3° | 179.9° |
| C08 | C09 | C10 | C06 | 0.5° | 0.3° |
| C09 | C08 | N07 | H8 | 180.0° | 179.8° |
| C09 | C08 | N07 | C06 | 0.6° | 0.2° |
| C09 | C08 | N07 | H7 | 179.4° | 179.7° |
| C10 | C02 | C03 | C11 | 178.9° | 179.9° |
| C10 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | C10 | C06 | N07 | 179.9° | 180.0° |
| C02 | C10 | C06 | C05 | 0.8° | 0.1° |
| C10 | C02 | C01 | H2 | 89.9° | 96.7° |
| C10 | C02 | C01 | H3 | 150.1° | 143.3° |
| C10 | C02 | C01 | H4 | 30.1° | 23.2° |
| C02 | C10 | C09 | H9 | 0.7° | 0.2° |
| C03 | C02 | C10 | C06 | 0.5° | 0.1° |
| C02 | C03 | C11 | C04 | 178.6° | 180.0° |
| C02 | C03 | C11 | C13 | 130.4° | 174.0° |
| C02 | C03 | C04 | C05 | 1.0° | 0.0° |
| C03 | C02 | C01 | H2 | 89.9° | 83.3° |
| C03 | C02 | C01 | H3 | 30.1° | 36.7° |
| C03 | C02 | C01 | H4 | 150.1° | 156.7° |
| C02 | C03 | C04 | H5 | 179.0° | 179.9° |
| O15 | C14 | C13 | C11 | 27.3° | 0.1° |
| O15 | C14 | C13 | C16 | 151.7° | 179.9° |
| O15 | C14 | C16 | O17 | 11.8° | 180.0° |
| O15 | C14 | C16 | O18 | 170.8° | 0.0° |
| O15 | C14 | C13 | H1 | 152.7° | 180.0° |
| C10 | C06 | N07 | C08 | 0.9° | 0.0° |
| C10 | C06 | N07 | C05 | 179.3° | 179.9° |
| C10 | C06 | C05 | C04 | 0.1° | 0.1° |
| C10 | C06 | C05 | H6 | 179.8° | 179.9° |
| C10 | C06 | N07 | H7 | 179.1° | 179.9° |
| C06 | C10 | C09 | H9 | 179.5° | 180.0° |
| C08 | N07 | C06 | H7 | 180.0° | 179.9° |
| C08 | N07 | C06 | C05 | 179.8° | 179.9° |
| N07 | C08 | C09 | H9 | 180.0° | 180.0° |
| C03 | C11 | C13 | C14 | 163.9° | 180.0° |
| C11 | C03 | C04 | C05 | 179.6° | 180.0° |
| C03 | C11 | C13 | H1 | 16.1° | 0.1° |
| C11 | C03 | C04 | H5 | 0.4° | 0.0° |
| C13 | C11 | C03 | C04 | 51.0° | 6.0° |
| C11 | C13 | C14 | H1 | 180.0° | 179.9° |
| C11 | C13 | C14 | C16 | 124.3° | 180.0° |
| C03 | C04 | C05 | C06 | 0.7° | 0.0° |
| C03 | C04 | C05 | H5 | 180.0° | 179.9° |
| C03 | C04 | C05 | H6 | 179.3° | 179.9° |
| N07 | C06 | C05 | C04 | 179.3° | 180.0° |
| N07 | C06 | C05 | H6 | 0.7° | 0.0° |
| C06 | N07 | C08 | H8 | 179.4° | 180.0° |
| C06 | C05 | C04 | H6 | 180.0° | 180.0° |
| C06 | C05 | C04 | H5 | 179.3° | 179.9° |
| C05 | C06 | N07 | H7 | 0.2° | 0.0° |
| C13 | C14 | C16 | O17 | 140.4° | 0.1° |
| C13 | C14 | C16 | O18 | 37.1° | 179.9° |
| C13 | C14 | O15 | H12 | 18.0° | 179.9° |
| C14 | C16 | O17 | O18 | 177.1° | 180.0° |
| C16 | C14 | C13 | H1 | 55.7° | 0.1° |
| C16 | C14 | O15 | H12 | 135.4° | 0.0° |
| C14 | C16 | O18 | H13 | 177.1° | 179.9° |
| O17 | C16 | O18 | H13 | 0.0° | 0.1° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C04 | C05 | H6 | 0.7° | 0.0° |
| H7 | N07 | C08 | H8 | 0.6° | 0.1° |
| H8 | C08 | C09 | H9 | 0.0° | 0.2° |
