7MW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| O04 | C03 | doub | 1.21Å | 1.21Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C03 | C05 | sing | 1.47Å | 1.51Å | |
| C05 | C09 | sing | 1.42Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.36Å | 1.38Å | Aromatic |
| C06 | N07 | sing | 1.34Å | 1.34Å | Aromatic |
| C08 | N07 | sing | 1.38Å | 1.34Å | Aromatic |
| C08 | C10 | sing | 1.47Å | 1.51Å | |
| O11 | C10 | doub | 1.22Å | 1.21Å | |
| C10 | O12 | sing | 1.35Å | 1.40Å | |
| O12 | C13 | sing | 1.45Å | 1.41Å | |
| 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 | |
| N07 | H7 | sing | 0.97Å | 1.00Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 111.9° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.9° | 109.4° |
| C01 | C02 | H5 | 108.9° | 109.5° |
| O04 | C03 | C02 | 120.4° | 120.0° |
| O04 | C03 | C05 | 120.5° | 120.1° |
| C02 | C03 | C05 | 119.1° | 120.0° |
| C03 | C02 | H4 | 108.9° | 109.5° |
| C03 | C02 | H5 | 108.9° | 109.5° |
| C03 | C05 | C09 | 126.8° | 126.5° |
| C03 | C05 | C06 | 125.3° | 126.5° |
| C09 | C05 | C06 | 108.0° | 107.0° |
| C05 | C09 | C08 | 106.6° | 106.9° |
| C05 | C09 | H8 | 126.7° | 126.5° |
| C05 | C06 | N07 | 107.2° | 108.3° |
| C05 | C06 | H6 | 126.4° | 125.8° |
| C09 | C08 | N07 | 107.9° | 108.4° |
| C09 | C08 | C10 | 126.8° | 125.8° |
| C08 | C09 | H8 | 126.7° | 126.5° |
| C06 | N07 | C08 | 110.3° | 109.3° |
| N07 | C06 | H6 | 126.4° | 125.9° |
| C06 | N07 | H7 | 124.9° | 125.3° |
| N07 | C08 | C10 | 125.3° | 125.8° |
| C08 | N07 | H7 | 124.9° | 125.4° |
| C08 | C10 | O11 | 120.3° | 120.0° |
| C08 | C10 | O12 | 118.9° | 120.0° |
| O11 | C10 | O12 | 120.8° | 120.0° |
| C10 | O12 | C13 | 114.6° | 117.0° |
| O12 | C13 | H9 | 109.5° | 109.5° |
| O12 | C13 | H10 | 109.5° | 109.5° |
| O12 | C13 | H11 | 109.4° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.4° | 109.4° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H9 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O04 | 26.9° | 0.0° |
| C01 | C02 | C03 | H4 | 120.4° | 119.9° |
| C01 | C02 | C03 | H5 | 120.4° | 120.1° |
| C01 | C02 | C03 | C05 | 153.2° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.9° | 120.0° |
| O04 | C03 | C02 | C05 | 179.9° | 179.9° |
| O04 | C03 | C05 | C09 | 2.4° | 0.0° |
| O04 | C03 | C05 | C06 | 177.7° | 179.7° |
| O04 | C03 | C02 | H4 | 93.5° | 119.9° |
| O04 | C03 | C02 | H5 | 147.3° | 120.1° |
| C02 | C03 | C05 | C09 | 177.5° | 180.0° |
| C02 | C03 | C05 | C06 | 2.4° | 0.3° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 118.9° | 120.0° |
| C03 | C05 | C09 | C06 | 180.0° | 179.7° |
| C03 | C05 | C09 | C08 | 179.9° | 179.9° |
| C03 | C05 | C06 | N07 | 180.0° | 180.0° |
| C05 | C03 | C02 | H4 | 86.4° | 60.0° |
| C05 | C03 | C02 | H5 | 32.8° | 59.9° |
| C03 | C05 | C06 | H6 | 0.0° | 0.1° |
| C03 | C05 | C09 | H8 | 0.1° | 0.0° |
| C05 | C09 | C08 | H8 | 180.0° | 179.9° |
| C09 | C05 | C06 | N07 | 0.0° | 0.3° |
| C05 | C09 | C08 | N07 | 0.2° | 0.4° |
| C05 | C09 | C08 | C10 | 179.8° | 179.9° |
| C09 | C05 | C06 | H6 | 180.0° | 179.8° |
| C06 | C05 | C09 | C08 | 0.1° | 0.4° |
| C05 | C06 | N07 | H6 | 180.0° | 179.9° |
| C05 | C06 | N07 | C08 | 0.1° | 0.0° |
| C05 | C06 | N07 | H7 | 179.9° | 180.0° |
| C06 | C05 | C09 | H8 | 179.9° | 179.7° |
| C09 | C08 | N07 | C06 | 0.2° | 0.2° |
| C09 | C08 | N07 | C10 | 179.6° | 179.7° |
| C09 | C08 | C10 | O11 | 20.3° | 0.4° |
| C09 | C08 | C10 | O12 | 159.3° | 179.7° |
| C09 | C08 | N07 | H7 | 179.8° | 179.7° |
| C06 | N07 | C08 | H7 | 180.0° | 180.0° |
| C06 | N07 | C08 | C10 | 179.8° | 180.0° |
| N07 | C08 | C10 | O11 | 160.1° | 179.9° |
| N07 | C08 | C10 | O12 | 20.2° | 0.0° |
| C08 | N07 | C06 | H6 | 179.9° | 180.0° |
| N07 | C08 | C09 | H8 | 179.8° | 179.7° |
| C08 | C10 | O11 | O12 | 179.6° | 179.9° |
| C08 | C10 | O12 | C13 | 159.5° | 180.0° |
| C10 | C08 | N07 | H7 | 0.2° | 0.0° |
| C10 | C08 | C09 | H8 | 0.2° | 0.0° |
| O11 | C10 | O12 | C13 | 20.8° | 0.0° |
| C10 | O12 | C13 | H9 | 180.0° | 60.0° |
| C10 | O12 | C13 | H10 | 60.0° | 60.0° |
| C10 | O12 | C13 | H11 | 60.0° | 180.0° |
| O12 | C13 | H9 | H10 | 120.0° | 120.0° |
| O12 | C13 | H9 | H11 | 120.0° | 120.0° |
| O12 | C13 | H10 | H11 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.6° | 60.0° |
| H1 | C01 | C02 | H5 | 59.6° | 179.9° |
| H2 | C01 | C02 | H4 | 60.4° | 180.0° |
| H2 | C01 | C02 | H5 | 179.6° | 60.1° |
| H3 | C01 | C02 | H4 | 179.6° | 60.1° |
| H3 | C01 | C02 | H5 | 60.4° | 59.9° |
| H6 | C06 | N07 | H7 | 0.1° | 0.1° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
