613
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.40Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| N1 | C10 | sing | 1.47Å | 1.48Å | |
| CL1 | C3 | sing | 1.74Å | 1.72Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C8 | sing | 1.47Å | 1.50Å | |
| N2 | C9 | sing | 1.47Å | 1.50Å | |
| N2 | C11 | sing | 1.38Å | 1.42Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C11 | doub | 1.30Å | 1.40Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N4 | C11 | sing | 1.37Å | 1.40Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.5° | 119.9° |
| C1 | C2 | C3 | 119.7° | 120.1° |
| C2 | C1 | H1 | 118.8° | 120.0° |
| C1 | C2 | H2 | 120.1° | 119.9° |
| C1 | C6 | N1 | 122.2° | 120.1° |
| C1 | C6 | C5 | 115.5° | 119.8° |
| C6 | C1 | H1 | 118.7° | 120.0° |
| C6 | N1 | C7 | 121.4° | 111.0° |
| C6 | N1 | C10 | 120.0° | 111.0° |
| N1 | C6 | C5 | 122.3° | 120.1° |
| C7 | N1 | C10 | 116.4° | 111.2° |
| N1 | C7 | C8 | 113.0° | 109.3° |
| N1 | C7 | H7 | 108.3° | 109.5° |
| N1 | C7 | H7A | 108.3° | 109.5° |
| N1 | C10 | C9 | 112.1° | 109.3° |
| N1 | C10 | H10 | 108.6° | 109.5° |
| N1 | C10 | H10A | 108.6° | 109.5° |
| CL1 | C3 | C2 | 120.6° | 119.9° |
| CL1 | C3 | C4 | 119.6° | 119.9° |
| C2 | C3 | C4 | 119.8° | 120.2° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C8 | N2 | C9 | 115.8° | 118.3° |
| C8 | N2 | C11 | 121.6° | 120.9° |
| N2 | C8 | C7 | 111.4° | 108.5° |
| N2 | C8 | H8 | 108.8° | 109.6° |
| N2 | C8 | H8A | 108.8° | 109.7° |
| C9 | N2 | C11 | 122.0° | 120.9° |
| N2 | C9 | C10 | 112.2° | 108.5° |
| N2 | C9 | H9 | 108.6° | 109.6° |
| N2 | C9 | H9A | 108.6° | 109.6° |
| N2 | C11 | N3 | 121.2° | 120.0° |
| N2 | C11 | N4 | 121.6° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| N3 | C11 | N4 | 116.1° | 120.0° |
| C11 | N3 | HN3 | 112.0° | 120.0° |
| C4 | C5 | C6 | 122.6° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | H5 | 118.7° | 120.0° |
| C11 | N4 | HN4 | 120.0° | 120.0° |
| C11 | N4 | HN4A | 120.0° | 120.0° |
| C6 | C5 | H5 | 118.7° | 120.0° |
| C8 | C7 | H7 | 108.3° | 109.4° |
| C8 | C7 | H7A | 108.3° | 109.5° |
| C7 | C8 | H8 | 108.8° | 109.6° |
| C7 | C8 | H8A | 108.8° | 109.7° |
| C10 | C9 | H9 | 108.5° | 109.6° |
| C10 | C9 | H9A | 108.6° | 109.7° |
| C9 | C10 | H10 | 108.6° | 109.4° |
| C9 | C10 | H10A | 108.6° | 109.5° |
| HN4 | N4 | HN4A | 120.0° | 120.0° |
| H7 | C7 | H7A | 110.6° | 109.5° |
| H8 | C8 | H8A | 110.2° | 109.8° |
| H9 | C9 | H9A | 110.4° | 109.8° |
| H10 | C10 | H10A | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | N1 | 179.9° | 180.0° |
| C1 | C2 | C3 | CL1 | 179.7° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C1 | C6 | N1 | C5 | 179.9° | 180.0° |
| C1 | C6 | N1 | C7 | 31.3° | 180.0° |
| C1 | C6 | N1 | C10 | 166.5° | 55.8° |
| C6 | C1 | C2 | C3 | 0.3° | 0.1° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C6 | C1 | C2 | H2 | 179.7° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 179.9° |
| C6 | N1 | C7 | C10 | 162.8° | 124.1° |
| N1 | C6 | C5 | C4 | 179.9° | 180.0° |
| C6 | N1 | C7 | C8 | 169.5° | 172.8° |
| C6 | N1 | C10 | C9 | 145.0° | 172.7° |
| N1 | C6 | C1 | H1 | 0.1° | 0.2° |
| N1 | C6 | C5 | H5 | 0.2° | 0.0° |
| C6 | N1 | C7 | H7 | 49.5° | 67.3° |
| C6 | N1 | C7 | H7A | 70.5° | 52.8° |
| C6 | N1 | C10 | H10 | 25.0° | 52.9° |
| C6 | N1 | C10 | H10A | 95.0° | 67.2° |
| N1 | C7 | C8 | N2 | 44.1° | 53.8° |
| C7 | N1 | C6 | C5 | 148.8° | 0.0° |
| N1 | C7 | C8 | H7 | 120.0° | 120.0° |
| N1 | C7 | C8 | H7A | 120.0° | 120.0° |
| C7 | N1 | C10 | C9 | 51.9° | 63.2° |
| N1 | C7 | H7 | H7A | 118.5° | 120.1° |
| N1 | C7 | C8 | H8 | 164.1° | 65.8° |
| N1 | C7 | C8 | H8A | 75.9° | 173.6° |
| C7 | N1 | C10 | H10 | 171.9° | 176.9° |
| C7 | N1 | C10 | H10A | 68.0° | 56.9° |
| N1 | C10 | C9 | N2 | 44.0° | 53.9° |
| C10 | N1 | C6 | C5 | 13.3° | 124.3° |
| C10 | N1 | C7 | C8 | 6.7° | 63.1° |
| N1 | C10 | C9 | H10 | 120.0° | 119.9° |
| N1 | C10 | C9 | H10A | 120.0° | 120.0° |
| C10 | N1 | C7 | H7 | 113.3° | 56.8° |
| C10 | N1 | C7 | H7A | 126.7° | 176.9° |
| N1 | C10 | C9 | H9 | 163.9° | 173.5° |
| N1 | C10 | C9 | H9A | 76.1° | 65.9° |
| N1 | C10 | H10 | H10A | 118.9° | 120.1° |
| CL1 | C3 | C2 | C4 | 179.9° | 180.0° |
| CL1 | C3 | C4 | C5 | 179.9° | 180.0° |
| CL1 | C3 | C2 | H2 | 0.3° | 0.0° |
| CL1 | C3 | C4 | H4 | 0.1° | 0.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C8 | N2 | C9 | C11 | 171.6° | 179.9° |
| C8 | N2 | C11 | N3 | 18.0° | 5.4° |
| C8 | N2 | C11 | N4 | 149.1° | 174.5° |
| N2 | C8 | C7 | H8 | 120.0° | 119.6° |
| N2 | C8 | C7 | H8A | 120.0° | 119.8° |
| C8 | N2 | C9 | C10 | 6.9° | 51.2° |
| N2 | C8 | C7 | H7 | 164.1° | 66.2° |
| N2 | C8 | C7 | H7A | 75.9° | 173.7° |
| N2 | C8 | H8 | H8A | 119.2° | 120.5° |
| C8 | N2 | C9 | H9 | 113.1° | 170.9° |
| C8 | N2 | C9 | H9A | 126.9° | 68.6° |
| C9 | N2 | C11 | N3 | 170.8° | 174.5° |
| C9 | N2 | C11 | N4 | 22.0° | 5.5° |
| C9 | N2 | C8 | C7 | 51.4° | 51.1° |
| N2 | C9 | C10 | H9 | 120.0° | 119.6° |
| N2 | C9 | C10 | H9A | 120.0° | 119.7° |
| C9 | N2 | C8 | H8 | 171.3° | 68.5° |
| C9 | N2 | C8 | H8A | 68.6° | 170.9° |
| N2 | C9 | H9 | H9A | 118.9° | 120.4° |
| N2 | C9 | C10 | H10 | 164.0° | 173.8° |
| N2 | C9 | C10 | H10A | 76.0° | 66.1° |
| N2 | C11 | N3 | N4 | 167.9° | 179.9° |
| C11 | N2 | C8 | C7 | 120.3° | 128.8° |
| C11 | N2 | C9 | C10 | 164.7° | 128.7° |
| N2 | C11 | N3 | HN3 | 167.9° | 180.0° |
| N2 | C11 | N4 | HN4 | 167.8° | 4.9° |
| N2 | C11 | N4 | HN4A | 12.2° | 175.0° |
| C11 | N2 | C8 | H8 | 0.3° | 111.6° |
| C11 | N2 | C8 | H8A | 119.7° | 9.0° |
| C11 | N2 | C9 | H9 | 75.3° | 9.1° |
| C11 | N2 | C9 | H9A | 44.7° | 111.5° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| N3 | C11 | N4 | HN4 | 0.0° | 175.1° |
| N3 | C11 | N4 | HN4A | 180.0° | 4.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| N4 | C11 | N3 | HN3 | 0.0° | 0.1° |
| C11 | N4 | HN4 | HN4A | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.8° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C8 | C7 | H7 | H7A | 118.5° | 120.1° |
| C7 | C8 | H8 | H8A | 119.2° | 120.5° |
| C10 | C9 | H9 | H9A | 118.9° | 120.6° |
| C9 | C10 | H10 | H10A | 118.9° | 120.1° |
| H1 | C1 | C2 | H2 | 0.3° | 0.2° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 75.9° | 174.2° |
| H7 | C7 | C8 | H8A | 44.1° | 53.6° |
| H7A | C7 | C8 | H8 | 44.1° | 54.1° |
| H7A | C7 | C8 | H8A | 164.1° | 66.5° |
| H9 | C9 | C10 | H10 | 76.0° | 66.6° |
| H9 | C9 | C10 | H10A | 44.0° | 53.5° |
| H9A | C9 | C10 | H10 | 43.9° | 54.0° |
| H9A | C9 | C10 | H10A | 164.0° | 174.1° |
