W6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C15 | doub | 1.21Å | 1.27Å | |
| O16 | C15 | sing | 1.35Å | 1.24Å | |
| C15 | C14 | sing | 1.48Å | 1.53Å | |
| C14 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| O09 | C08 | doub | 1.22Å | 1.17Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.53Å | |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.44Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N07 | C06 | sing | 1.47Å | 1.46Å | |
| O04 | C05 | sing | 1.34Å | 1.34Å | Aromatic |
| O04 | N03 | sing | 1.21Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | N19 | doub | 1.31Å | 1.31Å | Aromatic |
| N03 | C02 | doub | 1.30Å | 1.34Å | Aromatic |
| N19 | C02 | sing | 1.34Å | 1.32Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C15 | O16 | 120.6° | 120.0° |
| O17 | C15 | C14 | 119.5° | 120.0° |
| O16 | C15 | C14 | 119.9° | 120.0° |
| C15 | O16 | H1 | 109.5° | 117.0° |
| C15 | C14 | C18 | 118.2° | 120.1° |
| C15 | C14 | C13 | 121.5° | 120.1° |
| C18 | C14 | C13 | 120.3° | 119.8° |
| C14 | C18 | C10 | 120.5° | 119.7° |
| C14 | C18 | H181 | 119.7° | 120.1° |
| C14 | C13 | C12 | 119.5° | 120.1° |
| C14 | C13 | H131 | 120.2° | 119.9° |
| C18 | C10 | C08 | 120.1° | 120.0° |
| C18 | C10 | C11 | 120.1° | 119.9° |
| C10 | C18 | H181 | 119.8° | 120.2° |
| O09 | C08 | C10 | 120.1° | 120.0° |
| O09 | C08 | N07 | 120.1° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.3° |
| C12 | C13 | H131 | 120.3° | 120.0° |
| C13 | C12 | H121 | 119.9° | 119.8° |
| C08 | C10 | C11 | 119.8° | 120.1° |
| C10 | C08 | N07 | 119.7° | 120.0° |
| C10 | C11 | C12 | 119.4° | 120.2° |
| C10 | C11 | H111 | 120.3° | 119.9° |
| C08 | N07 | C06 | 120.0° | 119.9° |
| C08 | N07 | H071 | 120.0° | 120.0° |
| C12 | C11 | H111 | 120.3° | 119.9° |
| C11 | C12 | H121 | 119.9° | 119.9° |
| N07 | C06 | C05 | 110.6° | 109.4° |
| N07 | C06 | H061 | 109.2° | 109.5° |
| N07 | C06 | H062 | 109.2° | 109.5° |
| C06 | N07 | H071 | 120.0° | 120.0° |
| C05 | O04 | N03 | 107.1° | 109.9° |
| O04 | C05 | C06 | 126.8° | 126.6° |
| O04 | C05 | N19 | 108.5° | 106.9° |
| O04 | N03 | C02 | 106.7° | 110.2° |
| C06 | C05 | N19 | 124.6° | 126.5° |
| C05 | C06 | H061 | 109.2° | 109.4° |
| C05 | C06 | H062 | 109.2° | 109.5° |
| C05 | N19 | C02 | 109.0° | 105.6° |
| N03 | C02 | N19 | 108.7° | 107.4° |
| N03 | C02 | C01 | 127.7° | 126.3° |
| N19 | C02 | C01 | 123.6° | 126.3° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C15 | O16 | C14 | 178.6° | 179.9° |
| O17 | C15 | C14 | C18 | 15.8° | 0.0° |
| O17 | C15 | C14 | C13 | 166.0° | 180.0° |
| O17 | C15 | O16 | H1 | 0.0° | 0.1° |
| O16 | C15 | C14 | C18 | 162.8° | 180.0° |
| O16 | C15 | C14 | C13 | 15.3° | 0.0° |
| C15 | C14 | C18 | C13 | 178.1° | 180.0° |
| C15 | C14 | C18 | C10 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 179.3° | 179.7° |
| C15 | C14 | C13 | H131 | 0.7° | 0.0° |
| C15 | C14 | C18 | H181 | 0.4° | 0.0° |
| C14 | C15 | O16 | H1 | 178.6° | 180.0° |
| C14 | C18 | C10 | H181 | 180.0° | 180.0° |
| C18 | C14 | C13 | C12 | 1.2° | 0.3° |
| C14 | C18 | C10 | C08 | 179.8° | 180.0° |
| C14 | C18 | C10 | C11 | 1.1° | 0.3° |
| C18 | C14 | C13 | H131 | 178.8° | 180.0° |
| C13 | C14 | C18 | C10 | 1.5° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.5° | 0.2° |
| C14 | C13 | C12 | H121 | 179.4° | 179.8° |
| C13 | C14 | C18 | H181 | 178.6° | 180.0° |
| C18 | C10 | C08 | O09 | 16.0° | 0.3° |
| C18 | C10 | C08 | C11 | 179.1° | 179.7° |
| C18 | C10 | C08 | N07 | 163.2° | 179.7° |
| C18 | C10 | C11 | C12 | 0.4° | 0.4° |
| C18 | C10 | C11 | H111 | 179.6° | 179.8° |
| O09 | C08 | C10 | N07 | 179.2° | 180.0° |
| O09 | C08 | C10 | C11 | 164.9° | 180.0° |
| O09 | C08 | N07 | C06 | 0.5° | 0.0° |
| O09 | C08 | N07 | H071 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 179.8° | 180.0° |
| C08 | C10 | C11 | C12 | 179.5° | 180.0° |
| C10 | C08 | N07 | C06 | 178.7° | 180.0° |
| C08 | C10 | C11 | H111 | 0.5° | 0.1° |
| C08 | C10 | C18 | H181 | 0.1° | 0.0° |
| C10 | C08 | N07 | H071 | 1.3° | 0.0° |
| C11 | C10 | C08 | N07 | 15.9° | 0.1° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | H121 | 179.8° | 179.9° |
| C11 | C10 | C18 | H181 | 178.9° | 179.7° |
| C08 | N07 | C06 | H071 | 180.0° | 180.0° |
| C08 | N07 | C06 | C05 | 92.7° | 180.0° |
| C08 | N07 | C06 | H061 | 27.5° | 60.0° |
| C08 | N07 | C06 | H062 | 147.1° | 60.1° |
| C11 | C12 | C13 | H131 | 179.5° | 179.9° |
| N07 | C06 | C05 | O04 | 132.5° | 90.2° |
| N07 | C06 | C05 | H061 | 120.2° | 120.0° |
| N07 | C06 | C05 | H062 | 120.2° | 120.0° |
| N07 | C06 | C05 | N19 | 48.5° | 90.0° |
| N07 | C06 | H061 | H062 | 119.5° | 120.1° |
| O04 | C05 | C06 | N19 | 179.0° | 179.7° |
| C05 | O04 | N03 | C02 | 1.5° | 0.2° |
| O04 | C05 | N19 | C02 | 0.3° | 0.2° |
| O04 | C05 | C06 | H061 | 12.4° | 29.7° |
| O04 | C05 | C06 | H062 | 107.3° | 149.8° |
| N03 | O04 | C05 | C06 | 179.7° | 179.8° |
| N03 | O04 | C05 | N19 | 1.1° | 0.0° |
| O04 | N03 | C02 | N19 | 1.4° | 0.3° |
| O04 | N03 | C02 | C01 | 178.8° | 180.0° |
| C06 | C05 | N19 | C02 | 179.4° | 179.9° |
| C05 | C06 | H061 | H062 | 119.5° | 120.0° |
| C05 | C06 | N07 | H071 | 87.3° | 0.0° |
| C05 | N19 | C02 | N03 | 0.7° | 0.3° |
| C05 | N19 | C02 | C01 | 179.5° | 180.0° |
| N19 | C05 | C06 | H061 | 168.6° | 150.0° |
| N19 | C05 | C06 | H062 | 71.7° | 29.9° |
| N03 | C02 | N19 | C01 | 179.8° | 179.7° |
| N03 | C02 | C01 | H011 | 0.0° | 90.0° |
| N03 | C02 | C01 | H012 | 120.0° | 150.0° |
| N03 | C02 | C01 | H013 | 120.0° | 29.9° |
| N19 | C02 | C01 | H011 | 179.8° | 90.3° |
| N19 | C02 | C01 | H012 | 60.2° | 29.7° |
| N19 | C02 | C01 | H013 | 59.8° | 149.7° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| H131 | C13 | C12 | H121 | 0.5° | 0.1° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H061 | C06 | N07 | H071 | 152.5° | 119.9° |
| H062 | C06 | N07 | H071 | 32.9° | 119.9° |
| H111 | C11 | C12 | H121 | 0.2° | 0.0° |
