W5M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| C03 | N02 | sing | 1.36Å | 1.32Å | Aromatic |
| C03 | N04 | doub | 1.30Å | 1.28Å | Aromatic |
| N02 | C12 | sing | 1.37Å | 1.31Å | Aromatic |
| N04 | C05 | sing | 1.36Å | 1.36Å | Aromatic |
| C12 | C05 | doub | 1.40Å | 1.34Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| N11 | C09 | doub | 1.32Å | 1.28Å | Aromatic |
| C09 | N08 | sing | 1.33Å | 1.31Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.42Å | |
| C06 | N08 | doub | 1.33Å | 1.30Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.46Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| N07 | H072 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 126.0° | 126.3° |
| C01 | N02 | C12 | 124.5° | 126.3° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C03 | N04 | 109.3° | 109.9° |
| C03 | N02 | C12 | 109.5° | 107.4° |
| N02 | C03 | H031 | 125.4° | 125.0° |
| C03 | N04 | C05 | 107.2° | 109.4° |
| N04 | C03 | H031 | 125.4° | 125.0° |
| N02 | C12 | C05 | 106.1° | 106.0° |
| N02 | C12 | N11 | 131.3° | 134.8° |
| N04 | C05 | C12 | 107.8° | 107.1° |
| N04 | C05 | C06 | 135.3° | 134.5° |
| C05 | C12 | N11 | 122.5° | 119.2° |
| C12 | C05 | C06 | 116.9° | 118.3° |
| C12 | N11 | C09 | 117.0° | 120.5° |
| C05 | C06 | N08 | 118.3° | 118.5° |
| C05 | C06 | N07 | 124.1° | 120.7° |
| N11 | C09 | N08 | 123.6° | 122.3° |
| N11 | C09 | N10 | 119.2° | 118.9° |
| N08 | C09 | N10 | 117.1° | 118.9° |
| C09 | N08 | C06 | 121.7° | 121.2° |
| C09 | N10 | H101 | 109.5° | 120.0° |
| C09 | N10 | H102 | 109.5° | 120.0° |
| N08 | C06 | N07 | 117.6° | 120.7° |
| C06 | N07 | H072 | 109.5° | 120.0° |
| C06 | N07 | H071 | 109.5° | 120.0° |
| H012 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H072 | N07 | H071 | 109.5° | 119.9° |
| H101 | N10 | H102 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C12 | 177.9° | 180.0° |
| C01 | N02 | C03 | N04 | 179.5° | 180.0° |
| C01 | N02 | C12 | C05 | 179.9° | 180.0° |
| C01 | N02 | C12 | N11 | 0.3° | 0.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 0.4° | 0.3° |
| N02 | C03 | N04 | H031 | 180.0° | 179.7° |
| N02 | C03 | N04 | C05 | 1.8° | 0.0° |
| C03 | N02 | C12 | C05 | 2.2° | 0.0° |
| C03 | N02 | C12 | N11 | 177.6° | 180.0° |
| C03 | N02 | C01 | H012 | 180.0° | 90.0° |
| C03 | N02 | C01 | H013 | 60.0° | 150.0° |
| C03 | N02 | C01 | H011 | 60.0° | 30.0° |
| N04 | C03 | N02 | C12 | 2.5° | 0.0° |
| C03 | N04 | C05 | C12 | 0.4° | 0.0° |
| C03 | N04 | C05 | C06 | 178.3° | 180.0° |
| N02 | C12 | C05 | N04 | 1.1° | 0.0° |
| N02 | C12 | C05 | N11 | 179.9° | 180.0° |
| N02 | C12 | C05 | C06 | 179.9° | 180.0° |
| N02 | C12 | N11 | C09 | 179.6° | 180.0° |
| C12 | N02 | C01 | H012 | 2.4° | 90.0° |
| C12 | N02 | C01 | H013 | 117.6° | 30.0° |
| C12 | N02 | C01 | H011 | 122.4° | 150.0° |
| C12 | N02 | C03 | H031 | 177.5° | 179.7° |
| N04 | C05 | C12 | C06 | 179.0° | 180.0° |
| N04 | C05 | C12 | N11 | 178.8° | 180.0° |
| N04 | C05 | C06 | N08 | 178.1° | 180.0° |
| N04 | C05 | C06 | N07 | 1.0° | 0.0° |
| C05 | N04 | C03 | H031 | 178.3° | 179.7° |
| C05 | C12 | N11 | C09 | 0.6° | 0.0° |
| C12 | C05 | C06 | N08 | 0.6° | 0.0° |
| C12 | C05 | C06 | N07 | 179.6° | 180.0° |
| N11 | C12 | C05 | C06 | 0.3° | 0.0° |
| C12 | N11 | C09 | N08 | 1.2° | 0.0° |
| C12 | N11 | C09 | N10 | 178.4° | 180.0° |
| C05 | C06 | N08 | C09 | 1.2° | 0.0° |
| C05 | C06 | N08 | N07 | 179.2° | 180.0° |
| C05 | C06 | N07 | H072 | 179.1° | 0.0° |
| C05 | C06 | N07 | H071 | 60.9° | 180.0° |
| N11 | C09 | N08 | N10 | 179.6° | 180.0° |
| N11 | C09 | N08 | C06 | 1.6° | 0.0° |
| N11 | C09 | N10 | H101 | 0.0° | 179.9° |
| N11 | C09 | N10 | H102 | 120.0° | 0.0° |
| C09 | N08 | C06 | N07 | 179.7° | 180.0° |
| N08 | C09 | N10 | H101 | 179.6° | 0.1° |
| N08 | C09 | N10 | H102 | 59.6° | 180.0° |
| N10 | C09 | N08 | C06 | 178.0° | 180.0° |
| C09 | N10 | H101 | H102 | 120.0° | 179.9° |
| N08 | C06 | N07 | H072 | 0.0° | 180.0° |
| N08 | C06 | N07 | H071 | 120.0° | 0.0° |
| C06 | N07 | H072 | H071 | 120.0° | 180.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
