14W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C12 | sing | 1.49Å | 64.48Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C1 | C7 | sing | 1.50Å | 1.53Å | |
| C7 | N8 | sing | 1.44Å | 1.49Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| N8 | C9 | sing | 1.38Å | 1.37Å | |
| N8 | H8 | sing | 1.02Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | N11 | doub | 1.30Å | 1.33Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 1.03Å | 1.00Å | |
| C12 | N13 | sing | 1.44Å | 0.00Å | |
| C12 | H121 | sing | 1.10Å | 0.00Å | |
| C12 | H122 | sing | 1.10Å | 0.00Å | |
| N13 | H131 | sing | 1.01Å | 0.00Å | |
| N13 | H132 | sing | 1.01Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.5° | 119.7° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | C12 | 121.4° | 120.0° |
| C1 | C2 | H2 | 119.7° | 120.3° |
| C2 | C1 | C6 | 119.4° | 120.7° |
| C2 | C1 | C7 | 120.1° | 119.7° |
| C4 | C3 | C12 | 89.6° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.5° |
| C3 | C12 | N13 | 90.0° | 112.4° |
| C3 | C12 | H121 | 90.0° | 111.1° |
| C3 | C12 | H122 | 90.0° | 111.5° |
| C5 | C4 | H4 | 119.8° | 119.5° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C1 | 119.9° | 119.6° |
| C5 | C6 | H6 | 120.0° | 119.5° |
| C1 | C6 | H6 | 120.1° | 120.9° |
| C6 | C1 | C7 | 120.5° | 119.6° |
| C1 | C7 | N8 | 114.6° | 112.0° |
| C1 | C7 | H71 | 107.8° | 110.6° |
| C1 | C7 | H72 | 106.6° | 111.0° |
| N8 | C7 | H71 | 107.8° | 107.9° |
| N8 | C7 | H72 | 106.6° | 107.8° |
| C7 | N8 | C9 | 124.7° | 124.3° |
| C7 | N8 | H8 | 117.7° | 116.4° |
| H71 | C7 | H72 | 113.6° | 107.3° |
| C9 | N8 | H8 | 117.6° | 119.4° |
| N8 | C9 | C10 | 124.9° | 116.8° |
| N8 | C9 | N11 | 114.6° | 125.1° |
| C10 | C9 | N11 | 120.5° | 118.1° |
| C9 | C10 | H101 | 109.5° | 109.1° |
| C9 | C10 | H102 | 109.5° | 111.3° |
| C9 | C10 | H103 | 109.5° | 109.6° |
| C9 | N11 | H11 | 108.6° | 110.5° |
| H101 | C10 | H102 | 109.4° | 109.0° |
| H101 | C10 | H103 | 109.4° | 109.0° |
| H102 | C10 | H103 | 109.5° | 108.9° |
| N13 | C12 | H121 | 90.0° | 107.4° |
| N13 | C12 | H122 | 90.0° | 107.4° |
| C12 | N13 | H131 | 90.0° | 119.0° |
| C12 | N13 | H132 | 90.0° | 119.0° |
| H121 | C12 | H122 | 90.0° | 106.8° |
| H131 | N13 | H132 | 90.0° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C12 | 126.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | C7 | 179.9° | 180.0° |
| C2 | C3 | C12 | N13 | 90.0° | 90.0° |
| C2 | C3 | C12 | H121 | 90.0° | 149.6° |
| C2 | C3 | C12 | H122 | 90.0° | 30.6° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | C12 | 109.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | C7 | 179.8° | 180.0° |
| C2 | C1 | C6 | H6 | 180.0° | 179.9° |
| C2 | C1 | C7 | N8 | 128.0° | 89.9° |
| C2 | C1 | C7 | H71 | 112.0° | 30.5° |
| C2 | C1 | C7 | H72 | 10.3° | 149.5° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | C12 | 70.1° | 0.0° |
| H2 | C2 | C1 | C6 | 179.9° | 180.0° |
| H2 | C2 | C1 | C7 | 0.0° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C12 | N13 | 90.0° | 90.0° |
| C4 | C3 | C12 | H121 | 90.0° | 30.4° |
| C4 | C3 | C12 | H122 | 90.0° | 149.4° |
| C12 | C3 | C4 | C5 | 126.6° | 180.0° |
| C12 | C3 | C4 | H4 | 53.4° | 0.1° |
| C3 | C12 | N13 | H121 | 90.0° | 122.5° |
| C3 | C12 | N13 | H122 | 90.0° | 122.9° |
| C3 | C12 | H121 | H122 | 90.0° | 121.8° |
| C3 | C12 | N13 | H131 | 90.0° | 11.1° |
| C3 | C12 | N13 | H132 | 90.0° | 177.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 180.0° | 179.9° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | C1 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| C6 | C1 | C7 | N8 | 52.2° | 90.0° |
| C6 | C1 | C7 | H71 | 67.8° | 149.6° |
| C6 | C1 | C7 | H72 | 169.9° | 30.6° |
| H6 | C6 | C1 | C7 | 0.2° | 0.0° |
| C1 | C7 | N8 | H71 | 120.0° | 122.0° |
| C1 | C7 | N8 | H72 | 117.7° | 122.4° |
| C1 | C7 | H71 | H72 | 117.9° | 121.2° |
| C1 | C7 | N8 | C9 | 148.1° | 178.0° |
| C1 | C7 | N8 | H8 | 31.9° | 1.8° |
| N8 | C7 | H71 | H72 | 117.9° | 116.0° |
| C7 | N8 | C9 | H8 | 180.0° | 179.8° |
| C7 | N8 | C9 | C10 | 0.4° | 179.8° |
| C7 | N8 | C9 | N11 | 179.7° | 0.5° |
| H71 | C7 | N8 | C9 | 28.2° | 60.0° |
| H71 | C7 | N8 | H8 | 151.8° | 120.1° |
| H72 | C7 | N8 | C9 | 94.2° | 55.6° |
| H72 | C7 | N8 | H8 | 85.9° | 124.2° |
| N8 | C9 | C10 | N11 | 179.3° | 179.4° |
| N8 | C9 | C10 | H101 | 68.8° | 111.6° |
| N8 | C9 | C10 | H102 | 171.2° | 8.7° |
| N8 | C9 | C10 | H103 | 51.1° | 129.2° |
| N8 | C9 | N11 | H11 | 0.3° | 0.7° |
| H8 | N8 | C9 | C10 | 179.6° | 0.0° |
| H8 | N8 | C9 | N11 | 0.3° | 179.3° |
| C9 | C10 | H101 | H102 | 120.0° | 121.7° |
| C9 | C10 | H101 | H103 | 120.0° | 119.6° |
| C9 | C10 | H102 | H103 | 120.0° | 120.9° |
| C10 | C9 | N11 | H11 | 179.6° | 180.0° |
| N11 | C9 | C10 | H101 | 110.4° | 67.8° |
| N11 | C9 | C10 | H102 | 9.6° | 171.9° |
| N11 | C9 | C10 | H103 | 129.6° | 51.5° |
| H101 | C10 | H102 | H103 | 120.0° | 118.8° |
| N13 | C12 | H121 | H122 | 90.0° | 114.9° |
| C12 | N13 | H131 | H132 | 90.0° | 166.3° |
| H121 | C12 | N13 | H131 | 90.0° | 133.6° |
| H121 | C12 | N13 | H132 | 90.0° | 59.8° |
| H122 | C12 | N13 | H131 | 90.0° | 111.8° |
| H122 | C12 | N13 | H132 | 90.0° | 54.7° |
