Y7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| N11 | N12 | doub | 1.29Å | 1.32Å | Aromatic |
| N11 | N10 | sing | 1.28Å | 1.35Å | Aromatic |
| N12 | N13 | sing | 1.41Å | 1.35Å | Aromatic |
| N10 | C09 | doub | 1.31Å | 1.34Å | Aromatic |
| N13 | C09 | sing | 1.35Å | 1.34Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C09 | N08 | sing | 1.39Å | 1.46Å | |
| N08 | C07 | sing | 1.35Å | 1.45Å | |
| O17 | C07 | doub | 1.22Å | 1.17Å | |
| C07 | C06 | sing | 1.48Å | 1.52Å | |
| C06 | C18 | doub | 1.40Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C02 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.77Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| N08 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 113.8° | 109.5° |
| C16 | C15 | H3 | 108.4° | 109.5° |
| C16 | C15 | H4 | 108.4° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C15 | C16 | H6 | 109.5° | 109.4° |
| C15 | C16 | H7 | 109.4° | 109.5° |
| N12 | N11 | N10 | 106.9° | 110.3° |
| N11 | N12 | N13 | 108.4° | 106.8° |
| N11 | N10 | C09 | 109.8° | 110.5° |
| N12 | N13 | C09 | 108.7° | 105.2° |
| N12 | N13 | C14 | 123.7° | 127.4° |
| N10 | C09 | N13 | 106.1° | 107.1° |
| N10 | C09 | N08 | 125.1° | 126.4° |
| C09 | N13 | C14 | 127.6° | 127.4° |
| N13 | C09 | N08 | 128.8° | 126.4° |
| N13 | C14 | C15 | 108.3° | 109.5° |
| N13 | C14 | H1 | 109.8° | 109.4° |
| N13 | C14 | H2 | 109.7° | 109.4° |
| C15 | C14 | H1 | 109.8° | 109.5° |
| C15 | C14 | H2 | 109.8° | 109.5° |
| C14 | C15 | H3 | 108.4° | 109.5° |
| C14 | C15 | H4 | 108.4° | 109.4° |
| C09 | N08 | C07 | 116.6° | 120.0° |
| C09 | N08 | H12 | 121.7° | 120.0° |
| N08 | C07 | O17 | 119.3° | 120.0° |
| N08 | C07 | C06 | 125.8° | 120.0° |
| C07 | N08 | H12 | 121.8° | 120.0° |
| O17 | C07 | C06 | 114.9° | 120.0° |
| C07 | C06 | C18 | 123.1° | 120.1° |
| C07 | C06 | C05 | 116.6° | 120.1° |
| C18 | C06 | C05 | 120.2° | 119.7° |
| C06 | C18 | C02 | 118.7° | 119.8° |
| C06 | C18 | H8 | 120.6° | 120.1° |
| C06 | C05 | C04 | 121.1° | 119.9° |
| C06 | C05 | H11 | 119.4° | 120.1° |
| C18 | C02 | CL01 | 120.3° | 120.0° |
| C18 | C02 | C03 | 121.3° | 120.1° |
| C02 | C18 | H8 | 120.6° | 120.1° |
| C05 | C04 | C03 | 118.6° | 120.2° |
| C05 | C04 | H10 | 120.7° | 119.9° |
| C04 | C05 | H11 | 119.4° | 120.1° |
| CL01 | C02 | C03 | 118.4° | 119.9° |
| C02 | C03 | C04 | 120.0° | 120.3° |
| C02 | C03 | H9 | 120.0° | 119.8° |
| C04 | C03 | H9 | 120.0° | 119.9° |
| C03 | C04 | H10 | 120.7° | 119.9° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.4° | 109.5° |
| H5 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | N13 | 64.2° | 180.0° |
| C16 | C15 | C14 | H3 | 120.7° | 120.0° |
| C16 | C15 | C14 | H4 | 120.7° | 120.0° |
| C16 | C15 | C14 | H1 | 55.7° | 60.0° |
| C16 | C15 | C14 | H2 | 176.0° | 60.0° |
| C16 | C15 | H3 | H4 | 118.0° | 120.0° |
| C15 | C16 | H5 | H6 | 120.0° | 120.0° |
| C15 | C16 | H5 | H7 | 120.0° | 120.1° |
| C15 | C16 | H6 | H7 | 120.0° | 120.0° |
| N12 | N11 | N10 | C09 | 0.5° | 0.0° |
| N11 | N12 | N13 | C09 | 0.1° | 0.4° |
| N11 | N12 | N13 | C14 | 179.9° | 180.0° |
| N10 | N11 | N12 | N13 | 0.4° | 0.2° |
| N11 | N10 | C09 | N13 | 0.4° | 0.2° |
| N11 | N10 | C09 | N08 | 178.8° | 179.9° |
| N12 | N13 | C09 | N10 | 0.2° | 0.4° |
| N12 | N13 | C09 | C14 | 179.9° | 179.7° |
| N12 | N13 | C14 | C15 | 14.8° | 89.9° |
| N12 | N13 | C09 | N08 | 179.0° | 180.0° |
| N12 | N13 | C14 | H1 | 105.0° | 30.1° |
| N12 | N13 | C14 | H2 | 134.7° | 150.0° |
| N10 | C09 | N13 | N08 | 179.2° | 179.7° |
| N10 | C09 | N13 | C14 | 179.8° | 180.0° |
| N10 | C09 | N08 | C07 | 20.1° | 0.1° |
| N10 | C09 | N08 | H12 | 159.9° | 180.0° |
| C09 | N13 | C14 | C15 | 165.2° | 90.5° |
| N13 | C09 | N08 | C07 | 159.0° | 179.7° |
| C09 | N13 | C14 | H1 | 75.0° | 149.5° |
| C09 | N13 | C14 | H2 | 45.4° | 29.5° |
| N13 | C09 | N08 | H12 | 21.0° | 0.4° |
| N13 | C14 | C15 | H1 | 119.8° | 120.0° |
| N13 | C14 | C15 | H2 | 119.8° | 120.0° |
| C14 | N13 | C09 | N08 | 1.0° | 0.3° |
| N13 | C14 | H1 | H2 | 120.5° | 119.9° |
| N13 | C14 | C15 | H3 | 56.5° | 60.0° |
| N13 | C14 | C15 | H4 | 175.2° | 60.0° |
| C15 | C14 | H1 | H2 | 120.6° | 120.0° |
| C14 | C15 | H3 | H4 | 118.0° | 120.0° |
| C14 | C15 | C16 | H5 | 180.0° | 60.0° |
| C14 | C15 | C16 | H6 | 60.0° | 60.0° |
| C14 | C15 | C16 | H7 | 60.0° | 180.0° |
| C09 | N08 | C07 | H12 | 180.0° | 179.9° |
| C09 | N08 | C07 | O17 | 0.0° | 0.0° |
| C09 | N08 | C07 | C06 | 179.3° | 180.0° |
| N08 | C07 | O17 | C06 | 179.3° | 180.0° |
| N08 | C07 | C06 | C18 | 48.5° | 180.0° |
| N08 | C07 | C06 | C05 | 133.3° | 0.6° |
| O17 | C07 | C06 | C18 | 132.2° | 0.1° |
| O17 | C07 | C06 | C05 | 45.9° | 179.4° |
| O17 | C07 | N08 | H12 | 180.0° | 180.0° |
| C07 | C06 | C18 | C05 | 178.1° | 179.4° |
| C07 | C06 | C18 | C02 | 179.2° | 180.0° |
| C07 | C06 | C05 | C04 | 179.2° | 180.0° |
| C07 | C06 | C18 | H8 | 0.7° | 0.3° |
| C07 | C06 | C05 | H11 | 0.8° | 0.3° |
| C06 | C07 | N08 | H12 | 0.8° | 0.0° |
| C06 | C18 | C02 | H8 | 180.0° | 179.6° |
| C18 | C06 | C05 | C04 | 1.0° | 0.6° |
| C06 | C18 | C02 | CL01 | 179.8° | 179.7° |
| C06 | C18 | C02 | C03 | 0.9° | 0.4° |
| C18 | C06 | C05 | H11 | 179.0° | 179.7° |
| C05 | C06 | C18 | C02 | 1.2° | 0.7° |
| C06 | C05 | C04 | H11 | 180.0° | 179.7° |
| C06 | C05 | C04 | C03 | 0.5° | 0.3° |
| C05 | C06 | C18 | H8 | 178.8° | 179.7° |
| C06 | C05 | C04 | H10 | 179.5° | 179.7° |
| C18 | C02 | CL01 | C03 | 179.3° | 179.9° |
| C18 | C02 | C03 | C04 | 0.4° | 0.1° |
| C18 | C02 | C03 | H9 | 179.6° | 179.9° |
| C05 | C04 | C03 | C02 | 0.2° | 0.1° |
| C05 | C04 | C03 | H10 | 180.0° | 180.0° |
| C05 | C04 | C03 | H9 | 179.8° | 180.0° |
| CL01 | C02 | C03 | C04 | 179.7° | 180.0° |
| CL01 | C02 | C18 | H8 | 0.2° | 0.1° |
| CL01 | C02 | C03 | H9 | 0.3° | 0.0° |
| C02 | C03 | C04 | H9 | 180.0° | 180.0° |
| C03 | C02 | C18 | H8 | 179.1° | 180.0° |
| C02 | C03 | C04 | H10 | 179.8° | 180.0° |
| C03 | C04 | C05 | H11 | 179.5° | 180.0° |
| H1 | C14 | C15 | H3 | 176.3° | 60.0° |
| H1 | C14 | C15 | H4 | 65.0° | 180.0° |
| H2 | C14 | C15 | H3 | 63.3° | 180.0° |
| H2 | C14 | C15 | H4 | 55.4° | 60.0° |
| H3 | C15 | C16 | H5 | 59.3° | 180.0° |
| H3 | C15 | C16 | H6 | 60.6° | 60.0° |
| H3 | C15 | C16 | H7 | 179.3° | 60.0° |
| H4 | C15 | C16 | H5 | 59.4° | 60.0° |
| H4 | C15 | C16 | H6 | 179.3° | 180.0° |
| H4 | C15 | C16 | H7 | 60.7° | 60.1° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
| H9 | C03 | C04 | H10 | 0.2° | 0.0° |
| H10 | C04 | C05 | H11 | 0.5° | 0.0° |
