YGG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| S07 | C08 | sing | 1.76Å | 1.79Å | |
| S07 | C06 | sing | 1.81Å | 1.79Å | |
| N12 | C08 | sing | 1.36Å | 1.32Å | Aromatic |
| N12 | N11 | sing | 1.40Å | 1.36Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.50Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.36Å | 1.38Å | Aromatic |
| N11 | N10 | doub | 1.29Å | 1.36Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | N10 | sing | 1.33Å | 1.31Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C04 | 118.0° | 120.0° |
| C13 | C14 | C01 | 121.1° | 120.0° |
| C14 | C13 | H2 | 121.0° | 120.0° |
| C13 | C14 | H11 | 119.5° | 120.0° |
| C13 | C04 | C05 | 120.7° | 120.0° |
| C13 | C04 | C03 | 121.3° | 120.0° |
| C04 | C13 | H2 | 121.0° | 120.0° |
| C14 | C01 | C02 | 120.7° | 120.0° |
| C14 | C01 | H3 | 119.6° | 120.0° |
| C01 | C14 | H11 | 119.5° | 120.0° |
| C08 | S07 | C06 | 83.1° | 103.0° |
| S07 | C08 | N12 | 129.3° | 126.7° |
| S07 | C08 | C09 | 120.4° | 126.7° |
| S07 | C06 | C05 | 111.7° | 109.5° |
| S07 | C06 | H8 | 108.9° | 109.5° |
| S07 | C06 | H9 | 108.9° | 109.5° |
| C08 | N12 | N11 | 106.0° | 106.3° |
| N12 | C08 | C09 | 110.1° | 106.7° |
| C08 | N12 | H1 | 127.0° | 126.9° |
| N12 | N11 | N10 | 108.6° | 108.2° |
| N11 | N12 | H1 | 127.0° | 126.8° |
| C04 | C05 | C06 | 94.8° | 109.4° |
| C05 | C04 | C03 | 117.9° | 120.0° |
| C04 | C05 | H6 | 113.0° | 109.5° |
| C04 | C05 | H7 | 113.0° | 109.5° |
| C06 | C05 | H6 | 113.0° | 109.4° |
| C06 | C05 | H7 | 113.0° | 109.4° |
| C05 | C06 | H8 | 108.9° | 109.4° |
| C05 | C06 | H9 | 108.9° | 109.4° |
| C04 | C03 | C02 | 120.6° | 120.0° |
| C04 | C03 | H5 | 119.7° | 120.0° |
| C01 | C02 | C03 | 118.3° | 120.0° |
| C02 | C01 | H3 | 119.7° | 120.0° |
| C01 | C02 | H4 | 120.8° | 120.0° |
| C08 | C09 | N10 | 106.9° | 108.9° |
| C08 | C09 | H10 | 126.6° | 125.6° |
| N11 | N10 | C09 | 108.4° | 110.0° |
| C03 | C02 | H4 | 120.9° | 120.0° |
| C02 | C03 | H5 | 119.7° | 120.0° |
| N10 | C09 | H10 | 126.6° | 125.6° |
| H6 | C05 | H7 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C04 | H2 | 180.0° | 179.6° |
| C13 | C14 | C01 | H11 | 180.0° | 180.0° |
| C14 | C13 | C04 | C05 | 178.4° | 180.0° |
| C14 | C13 | C04 | C03 | 1.3° | 0.1° |
| C13 | C14 | C01 | C02 | 0.4° | 0.1° |
| C13 | C14 | C01 | H3 | 179.6° | 180.0° |
| C04 | C13 | C14 | C01 | 0.5° | 0.1° |
| C13 | C04 | C05 | C03 | 177.2° | 179.9° |
| C13 | C04 | C05 | C06 | 133.3° | 90.0° |
| C13 | C04 | C03 | C02 | 1.3° | 0.1° |
| C13 | C04 | C03 | H5 | 178.7° | 179.9° |
| C13 | C04 | C05 | H6 | 109.2° | 150.0° |
| C13 | C04 | C05 | H7 | 15.8° | 29.9° |
| C04 | C13 | C14 | H11 | 179.5° | 179.9° |
| C14 | C01 | C02 | H3 | 180.0° | 180.0° |
| C14 | C01 | C02 | C03 | 0.5° | 0.1° |
| C01 | C14 | C13 | H2 | 179.6° | 179.7° |
| C14 | C01 | C02 | H4 | 179.5° | 179.9° |
| S07 | C08 | N12 | C09 | 175.7° | 180.0° |
| S07 | C08 | N12 | N11 | 178.0° | 180.0° |
| C08 | S07 | C06 | C05 | 118.5° | 180.0° |
| S07 | C08 | C09 | N10 | 178.3° | 180.0° |
| S07 | C08 | N12 | H1 | 1.9° | 0.2° |
| C08 | S07 | C06 | H8 | 1.8° | 60.0° |
| C08 | S07 | C06 | H9 | 121.2° | 60.0° |
| S07 | C08 | C09 | H10 | 1.7° | 0.0° |
| C06 | S07 | C08 | N12 | 126.7° | 0.0° |
| S07 | C06 | C05 | C04 | 106.5° | 180.0° |
| S07 | C06 | C05 | H8 | 120.3° | 120.0° |
| S07 | C06 | C05 | H9 | 120.3° | 120.0° |
| C06 | S07 | C08 | C09 | 48.6° | 180.0° |
| S07 | C06 | C05 | H6 | 136.0° | 60.0° |
| S07 | C06 | C05 | H7 | 11.0° | 60.0° |
| S07 | C06 | H8 | H9 | 119.0° | 120.0° |
| C08 | N12 | N11 | H1 | 180.0° | 179.8° |
| C08 | N12 | N11 | N10 | 1.7° | 0.0° |
| N12 | C08 | C09 | N10 | 2.2° | 0.0° |
| N12 | C08 | C09 | H10 | 177.8° | 180.0° |
| N11 | N12 | C08 | C09 | 2.4° | 0.0° |
| N12 | N11 | N10 | C09 | 0.3° | 0.0° |
| C04 | C05 | C06 | H6 | 117.5° | 120.0° |
| C04 | C05 | C06 | H7 | 117.5° | 120.0° |
| C05 | C04 | C03 | C02 | 178.5° | 180.0° |
| C05 | C04 | C13 | H2 | 1.6° | 0.4° |
| C05 | C04 | C03 | H5 | 1.5° | 0.0° |
| C04 | C05 | H6 | H7 | 126.9° | 120.1° |
| C04 | C05 | C06 | H8 | 133.2° | 60.0° |
| C04 | C05 | C06 | H9 | 13.8° | 60.0° |
| C06 | C05 | C04 | C03 | 43.9° | 90.0° |
| C06 | C05 | H6 | H7 | 126.9° | 120.0° |
| C05 | C06 | H8 | H9 | 119.0° | 120.0° |
| C04 | C03 | C02 | C01 | 0.4° | 0.1° |
| C04 | C03 | C02 | H5 | 180.0° | 179.9° |
| C03 | C04 | C13 | H2 | 178.7° | 179.7° |
| C04 | C03 | C02 | H4 | 179.6° | 179.9° |
| C03 | C04 | C05 | H6 | 73.6° | 29.9° |
| C03 | C04 | C05 | H7 | 161.4° | 150.0° |
| C01 | C02 | C03 | H4 | 180.0° | 180.0° |
| C01 | C02 | C03 | H5 | 179.6° | 179.9° |
| C02 | C01 | C14 | H11 | 179.6° | 179.9° |
| C08 | C09 | N10 | N11 | 1.1° | 0.0° |
| C08 | C09 | N10 | H10 | 180.0° | 180.0° |
| C09 | C08 | N12 | H1 | 177.6° | 179.8° |
| N10 | N11 | N12 | H1 | 178.3° | 179.8° |
| N11 | N10 | C09 | H10 | 178.9° | 180.0° |
| C03 | C02 | C01 | H3 | 179.5° | 180.0° |
| H2 | C13 | C14 | H11 | 0.5° | 0.3° |
| H3 | C01 | C02 | H4 | 0.5° | 0.0° |
| H3 | C01 | C14 | H11 | 0.4° | 0.0° |
| H4 | C02 | C03 | H5 | 0.4° | 0.1° |
| H6 | C05 | C06 | H8 | 15.7° | 180.0° |
| H6 | C05 | C06 | H9 | 103.7° | 60.0° |
| H7 | C05 | C06 | H8 | 109.4° | 60.0° |
| H7 | C05 | C06 | H9 | 131.3° | 180.0° |
