W6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N05 | sing | 1.48Å | 1.40Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| N05 | C04 | sing | 1.39Å | 1.50Å | |
| N05 | C11 | sing | 1.40Å | 1.45Å | |
| C07 | C08 | sing | 1.54Å | 1.55Å | |
| C03 | C04 | doub | 1.39Å | 1.35Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.35Å | Aromatic |
| C04 | N12 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.54Å | 1.47Å | |
| C02 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | N09 | sing | 1.48Å | 1.44Å | |
| N12 | C13 | doub | 1.32Å | 1.26Å | Aromatic |
| C01 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| N09 | C10 | sing | 1.45Å | 1.42Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| N09 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C06 | C07 | 112.4° | 108.5° |
| C06 | N05 | C04 | 117.8° | 111.0° |
| C06 | N05 | C11 | 124.1° | 114.1° |
| N05 | C06 | H062 | 108.7° | 109.6° |
| N05 | C06 | H061 | 108.8° | 109.6° |
| C06 | C07 | C08 | 115.7° | 112.2° |
| C07 | C06 | H062 | 108.7° | 109.6° |
| C07 | C06 | H061 | 108.7° | 109.7° |
| C06 | C07 | H072 | 107.9° | 109.0° |
| C06 | C07 | H071 | 107.9° | 109.0° |
| C04 | N05 | C11 | 117.2° | 111.0° |
| N05 | C04 | C03 | 120.1° | 119.7° |
| N05 | C04 | N12 | 120.1° | 119.7° |
| N05 | C11 | C10 | 106.9° | 112.1° |
| N05 | C11 | H112 | 110.1° | 108.9° |
| N05 | C11 | H111 | 110.1° | 108.9° |
| C07 | C08 | N09 | 120.8° | 112.3° |
| C08 | C07 | H072 | 107.9° | 108.9° |
| C08 | C07 | H071 | 107.9° | 108.8° |
| C07 | C08 | H081 | 106.6° | 108.9° |
| C07 | C08 | H082 | 106.6° | 108.9° |
| C04 | C03 | C02 | 121.1° | 119.1° |
| C03 | C04 | N12 | 119.8° | 120.6° |
| C04 | C03 | H031 | 119.4° | 120.5° |
| C03 | C02 | C01 | 117.2° | 118.5° |
| C03 | C02 | H021 | 121.4° | 120.7° |
| C02 | C03 | H031 | 119.5° | 120.5° |
| C04 | N12 | C13 | 122.6° | 121.7° |
| C11 | C10 | N09 | 120.8° | 108.9° |
| C11 | C10 | H101 | 106.6° | 109.5° |
| C11 | C10 | H102 | 106.6° | 109.6° |
| C10 | C11 | H112 | 110.1° | 109.0° |
| C10 | C11 | H111 | 110.1° | 109.0° |
| C02 | C01 | C13 | 118.3° | 119.3° |
| C02 | C01 | H011 | 120.9° | 120.3° |
| C01 | C02 | H021 | 121.4° | 120.8° |
| C08 | N09 | C10 | 127.5° | 113.9° |
| N09 | C08 | H081 | 106.6° | 108.8° |
| N09 | C08 | H082 | 106.6° | 109.0° |
| C08 | N09 | H1 | 104.8° | 111.0° |
| N12 | C13 | C01 | 120.9° | 120.8° |
| N12 | C13 | H131 | 119.5° | 119.6° |
| C01 | C13 | H131 | 119.6° | 119.6° |
| C13 | C01 | H011 | 120.9° | 120.4° |
| N09 | C10 | H101 | 106.6° | 109.5° |
| N09 | C10 | H102 | 106.6° | 109.6° |
| C10 | N09 | H1 | 104.8° | 111.0° |
| H101 | C10 | H102 | 109.5° | 109.6° |
| H062 | C06 | H061 | 109.5° | 109.8° |
| H072 | C07 | H071 | 109.5° | 108.9° |
| H081 | C08 | H082 | 109.5° | 108.8° |
| H112 | C11 | H111 | 109.4° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C06 | C07 | H062 | 120.4° | 119.7° |
| N05 | C06 | C07 | H061 | 120.5° | 119.7° |
| C06 | N05 | C04 | C11 | 170.0° | 128.0° |
| N05 | C06 | C07 | C08 | 68.0° | 92.5° |
| C06 | N05 | C04 | C03 | 0.9° | 180.0° |
| C06 | N05 | C04 | N12 | 177.0° | 0.1° |
| C06 | N05 | C11 | C10 | 74.7° | 61.8° |
| N05 | C06 | H062 | H061 | 118.7° | 120.4° |
| N05 | C06 | C07 | H072 | 52.9° | 146.8° |
| N05 | C06 | C07 | H071 | 171.1° | 28.1° |
| C06 | N05 | C11 | H112 | 44.9° | 58.9° |
| C06 | N05 | C11 | H111 | 165.7° | 177.6° |
| C07 | C06 | N05 | C04 | 90.4° | 153.7° |
| C07 | C06 | N05 | C11 | 78.9° | 79.9° |
| C06 | C07 | C08 | H072 | 120.9° | 120.7° |
| C06 | C07 | C08 | H071 | 120.9° | 120.7° |
| C06 | C07 | C08 | N09 | 45.7° | 41.4° |
| C07 | C06 | H062 | H061 | 118.6° | 120.5° |
| C06 | C07 | H072 | H071 | 117.1° | 118.8° |
| C06 | C07 | C08 | H081 | 167.2° | 79.3° |
| C06 | C07 | C08 | H082 | 75.9° | 162.2° |
| N05 | C04 | C03 | N12 | 177.9° | 179.9° |
| N05 | C04 | C03 | C02 | 177.5° | 180.0° |
| C04 | N05 | C11 | C10 | 94.6° | 171.9° |
| N05 | C04 | N12 | C13 | 178.6° | 180.0° |
| N05 | C04 | C03 | H031 | 2.5° | 0.1° |
| C04 | N05 | C06 | H062 | 30.1° | 34.0° |
| C04 | N05 | C06 | H061 | 149.2° | 86.6° |
| C04 | N05 | C11 | H112 | 145.7° | 67.5° |
| C04 | N05 | C11 | H111 | 25.0° | 51.2° |
| C11 | N05 | C04 | C03 | 169.1° | 52.0° |
| C11 | N05 | C04 | N12 | 13.0° | 127.9° |
| N05 | C11 | C10 | H112 | 119.6° | 120.6° |
| N05 | C11 | C10 | H111 | 119.6° | 120.6° |
| N05 | C11 | C10 | N09 | 69.1° | 78.8° |
| N05 | C11 | C10 | H101 | 169.4° | 41.0° |
| N05 | C11 | C10 | H102 | 52.5° | 161.2° |
| C11 | N05 | C06 | H062 | 160.7° | 160.4° |
| C11 | N05 | C06 | H061 | 41.5° | 39.8° |
| N05 | C11 | H112 | H111 | 121.2° | 118.6° |
| C07 | C08 | N09 | H081 | 121.6° | 120.7° |
| C07 | C08 | N09 | H082 | 121.6° | 120.8° |
| C07 | C08 | N09 | C10 | 4.0° | 41.7° |
| C08 | C07 | C06 | H062 | 171.5° | 147.8° |
| C08 | C07 | C06 | H061 | 52.4° | 27.2° |
| C08 | C07 | H072 | H071 | 117.1° | 118.6° |
| C07 | C08 | H081 | H082 | 114.9° | 118.6° |
| C07 | C08 | N09 | H1 | 126.4° | 84.4° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 2.1° | 0.0° |
| C03 | C04 | N12 | C13 | 0.7° | 0.0° |
| C04 | C03 | C02 | H021 | 177.9° | 180.0° |
| C02 | C03 | C04 | N12 | 0.4° | 0.1° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | C13 | 2.7° | 0.0° |
| C03 | C02 | C01 | H011 | 177.3° | 180.0° |
| C04 | N12 | C13 | C01 | 0.0° | 0.0° |
| C04 | N12 | C13 | H131 | 180.0° | 180.0° |
| N12 | C04 | C03 | H031 | 179.6° | 180.0° |
| C11 | C10 | N09 | C08 | 56.0° | 94.3° |
| C11 | C10 | N09 | H101 | 121.6° | 119.8° |
| C11 | C10 | N09 | H102 | 121.6° | 119.9° |
| C11 | C10 | H101 | H102 | 114.9° | 120.2° |
| C10 | C11 | H112 | H111 | 121.2° | 118.8° |
| C11 | C10 | N09 | H1 | 178.4° | 31.9° |
| C02 | C01 | C13 | N12 | 1.8° | 0.0° |
| C02 | C01 | C13 | H011 | 180.0° | 180.0° |
| C02 | C01 | C13 | H131 | 178.2° | 180.0° |
| C01 | C02 | C03 | H031 | 177.9° | 180.0° |
| C08 | N09 | C10 | H1 | 122.4° | 126.2° |
| C08 | N09 | C10 | H101 | 177.6° | 25.5° |
| C08 | N09 | C10 | H102 | 65.6° | 145.8° |
| N09 | C08 | C07 | H072 | 75.2° | 162.1° |
| N09 | C08 | C07 | H071 | 166.5° | 79.3° |
| N09 | C08 | H081 | H082 | 114.9° | 118.6° |
| N12 | C13 | C01 | H131 | 180.0° | 180.0° |
| N12 | C13 | C01 | H011 | 178.3° | 179.9° |
| C13 | C01 | C02 | H021 | 177.3° | 180.0° |
| N09 | C10 | H101 | H102 | 114.9° | 120.3° |
| C10 | N09 | C08 | H081 | 117.6° | 162.4° |
| C10 | N09 | C08 | H082 | 125.6° | 79.1° |
| N09 | C10 | C11 | H112 | 50.5° | 41.8° |
| N09 | C10 | C11 | H111 | 171.3° | 160.6° |
| H101 | C10 | C11 | H112 | 71.0° | 161.6° |
| H101 | C10 | C11 | H111 | 49.8° | 79.6° |
| H101 | C10 | N09 | H1 | 60.0° | 151.7° |
| H102 | C10 | C11 | H112 | 172.1° | 78.1° |
| H102 | C10 | C11 | H111 | 67.1° | 40.7° |
| H102 | C10 | N09 | H1 | 56.8° | 88.0° |
| H131 | C13 | C01 | H011 | 1.8° | 0.0° |
| H011 | C01 | C02 | H021 | 2.7° | 0.0° |
| H021 | C02 | C03 | H031 | 2.1° | 0.0° |
| H062 | C06 | C07 | H072 | 67.6° | 27.1° |
| H062 | C06 | C07 | H071 | 50.6° | 91.6° |
| H061 | C06 | C07 | H072 | 173.3° | 93.5° |
| H061 | C06 | C07 | H071 | 68.5° | 147.8° |
| H072 | C07 | C08 | H081 | 46.3° | 41.4° |
| H072 | C07 | C08 | H082 | 163.2° | 77.1° |
| H071 | C07 | C08 | H081 | 71.9° | 160.0° |
| H071 | C07 | C08 | H082 | 45.0° | 41.5° |
| H081 | C08 | N09 | H1 | 4.8° | 36.2° |
| H082 | C08 | N09 | H1 | 112.0° | 154.8° |
