Y1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | sing | 1.37Å | 1.44Å | Aromatic |
| C03 | C02 | doub | 1.34Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.41Å | Aromatic |
| O | C | sing | 1.43Å | 1.38Å | |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | S18 | sing | 1.71Å | 1.70Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | CA | sing | 1.53Å | 1.55Å | |
| O14 | C12 | doub | 1.21Å | 1.27Å | |
| C05 | S18 | sing | 1.76Å | 1.68Å | Aromatic |
| C05 | C06 | sing | 1.46Å | 1.50Å | |
| C | CA | sing | 1.53Å | 1.52Å | |
| C | C08 | sing | 1.53Å | 1.51Å | |
| O07 | C06 | sing | 1.35Å | 1.36Å | |
| O07 | C08 | sing | 1.45Å | 1.36Å | |
| C12 | O13 | sing | 1.34Å | 1.29Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| C06 | O17 | doub | 1.22Å | 1.20Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O13 | H15 | sing | 0.97Å | 0.95Å | |
| O | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 114.7° | 115.1° |
| C03 | C04 | C05 | 111.4° | 113.3° |
| C04 | C03 | H4 | 122.7° | 122.4° |
| C03 | C04 | H5 | 124.3° | 123.3° |
| C03 | C02 | C01 | 127.9° | 124.5° |
| C03 | C02 | S18 | 107.1° | 111.0° |
| C02 | C03 | H4 | 122.7° | 122.5° |
| C04 | C05 | S18 | 109.6° | 109.0° |
| C04 | C05 | C06 | 127.0° | 125.5° |
| C05 | C04 | H5 | 124.3° | 123.4° |
| O | C | CA | 112.1° | 109.5° |
| O | C | C08 | 121.2° | 109.5° |
| O | C | H8 | 101.2° | 109.4° |
| C | O | H16 | 109.5° | 114.0° |
| C01 | C02 | S18 | 125.0° | 124.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | S18 | C05 | 97.2° | 91.6° |
| C12 | C11 | CA | 108.5° | 109.5° |
| C11 | C12 | O14 | 118.1° | 120.0° |
| C11 | C12 | O13 | 123.6° | 120.0° |
| C12 | C11 | H10 | 109.7° | 109.5° |
| C12 | C11 | H11 | 109.7° | 109.5° |
| C11 | CA | C | 114.2° | 109.5° |
| C11 | CA | N | 109.9° | 109.5° |
| C11 | CA | HA | 107.2° | 109.5° |
| CA | C11 | H10 | 109.7° | 109.5° |
| CA | C11 | H11 | 109.7° | 109.4° |
| O14 | C12 | O13 | 118.3° | 120.0° |
| S18 | C05 | C06 | 123.3° | 125.5° |
| C05 | C06 | O07 | 114.2° | 120.0° |
| C05 | C06 | O17 | 122.3° | 120.0° |
| CA | C | C08 | 116.8° | 109.5° |
| C | CA | N | 109.3° | 109.5° |
| CA | C | H8 | 100.2° | 109.5° |
| C | CA | HA | 107.5° | 109.5° |
| C | C08 | O07 | 110.4° | 109.5° |
| C | C08 | H6 | 109.2° | 109.5° |
| C | C08 | H7 | 109.2° | 109.4° |
| C08 | C | H8 | 100.3° | 109.4° |
| C06 | O07 | C08 | 115.9° | 117.0° |
| O07 | C06 | O17 | 123.4° | 120.0° |
| O07 | C08 | H6 | 109.3° | 109.5° |
| O07 | C08 | H7 | 109.2° | 109.4° |
| C12 | O13 | H15 | 109.5° | 117.0° |
| N | CA | HA | 108.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| H1 | C01 | H12 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H12 | C01 | H3 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.4° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 178.8° | 180.0° |
| C04 | C03 | C02 | S18 | 0.3° | 0.2° |
| C03 | C04 | C05 | S18 | 2.6° | 0.3° |
| C03 | C04 | C05 | C06 | 179.4° | 180.0° |
| C02 | C03 | C04 | C05 | 1.9° | 0.1° |
| C03 | C02 | C01 | S18 | 178.9° | 179.8° |
| C03 | C02 | S18 | C05 | 1.1° | 0.3° |
| C03 | C02 | C01 | H1 | 178.9° | 179.7° |
| C03 | C02 | C01 | H12 | 61.1° | 59.8° |
| C03 | C02 | C01 | H3 | 58.9° | 60.2° |
| C02 | C03 | C04 | H5 | 178.1° | 180.0° |
| C04 | C05 | S18 | C02 | 2.2° | 0.3° |
| C04 | C05 | S18 | C06 | 178.1° | 179.7° |
| C04 | C05 | C06 | O07 | 6.8° | 180.0° |
| C04 | C05 | C06 | O17 | 177.4° | 0.1° |
| C05 | C04 | C03 | H4 | 178.1° | 180.0° |
| O | C | CA | C11 | 37.3° | 60.0° |
| O | C | CA | C08 | 146.2° | 120.0° |
| O | C | CA | H8 | 106.6° | 120.0° |
| O | C | C08 | H8 | 109.9° | 120.0° |
| O | C | C08 | O07 | 20.1° | 64.9° |
| O | C | CA | N | 160.9° | 180.0° |
| O | C | C08 | H6 | 140.2° | 175.0° |
| O | C | C08 | H7 | 100.1° | 55.1° |
| O | C | CA | HA | 81.5° | 60.0° |
| C01 | C02 | S18 | C05 | 179.7° | 179.9° |
| C02 | C01 | H1 | H12 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H12 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 1.2° | 0.0° |
| C02 | S18 | C05 | C06 | 179.7° | 180.0° |
| S18 | C02 | C01 | H1 | 0.0° | 0.1° |
| S18 | C02 | C01 | H12 | 120.0° | 120.0° |
| S18 | C02 | C01 | H3 | 120.0° | 120.0° |
| S18 | C02 | C03 | H4 | 179.7° | 179.8° |
| C12 | C11 | CA | H10 | 119.9° | 120.0° |
| C12 | C11 | CA | H11 | 119.9° | 120.0° |
| C11 | C12 | O14 | O13 | 179.1° | 180.0° |
| C12 | C11 | CA | C | 154.9° | 175.0° |
| C12 | C11 | CA | N | 81.7° | 65.0° |
| C12 | C11 | CA | HA | 36.0° | 55.0° |
| C12 | C11 | H10 | H11 | 120.5° | 120.0° |
| C11 | C12 | O13 | H15 | 179.1° | 180.0° |
| CA | C11 | C12 | O14 | 159.6° | 0.0° |
| C11 | CA | C | N | 123.6° | 120.0° |
| C11 | CA | C | HA | 118.8° | 120.0° |
| C11 | CA | C | C08 | 176.5° | 180.0° |
| CA | C11 | C12 | O13 | 21.4° | 180.0° |
| C11 | CA | N | HA | 116.9° | 120.0° |
| C11 | CA | C | H8 | 69.3° | 60.0° |
| CA | C11 | H10 | H11 | 120.4° | 120.0° |
| C11 | CA | N | H | 180.0° | 176.1° |
| C11 | CA | N | H2 | 60.0° | 60.0° |
| O14 | C12 | C11 | H10 | 80.6° | 120.0° |
| O14 | C12 | C11 | H11 | 39.7° | 120.0° |
| O14 | C12 | O13 | H15 | 0.0° | 0.0° |
| S18 | C05 | C06 | O07 | 175.5° | 0.3° |
| S18 | C05 | C06 | O17 | 0.3° | 179.7° |
| S18 | C05 | C04 | H5 | 177.4° | 179.8° |
| C05 | C06 | O07 | O17 | 175.7° | 179.9° |
| C05 | C06 | O07 | C08 | 176.9° | 180.0° |
| C06 | C05 | C04 | H5 | 0.6° | 0.1° |
| CA | C | C08 | H8 | 107.0° | 120.0° |
| CA | C | C08 | O07 | 163.1° | 175.0° |
| C | CA | N | HA | 117.0° | 120.0° |
| CA | C | C08 | H6 | 76.7° | 55.0° |
| CA | C | C08 | H7 | 42.9° | 65.0° |
| C | CA | C11 | H10 | 35.1° | 65.0° |
| C | CA | C11 | H11 | 85.2° | 55.0° |
| C | CA | N | H | 53.8° | 64.0° |
| C | CA | N | H2 | 66.2° | 60.0° |
| CA | C | O | H16 | 180.0° | 60.0° |
| C | C08 | O07 | C06 | 168.9° | 180.0° |
| C | C08 | O07 | H6 | 120.1° | 120.1° |
| C | C08 | O07 | H7 | 120.2° | 120.0° |
| C08 | C | CA | N | 52.9° | 60.0° |
| C | C08 | H6 | H7 | 119.5° | 120.0° |
| C08 | C | CA | HA | 64.8° | 60.0° |
| C08 | C | O | H16 | 35.4° | 60.1° |
| C06 | O07 | C08 | H6 | 70.9° | 59.9° |
| C06 | O07 | C08 | H7 | 48.8° | 60.0° |
| C08 | O07 | C06 | O17 | 7.4° | 0.1° |
| O07 | C08 | H6 | H7 | 119.6° | 120.0° |
| O07 | C08 | C | H8 | 89.9° | 55.0° |
| O13 | C12 | C11 | H10 | 98.5° | 60.0° |
| O13 | C12 | C11 | H11 | 141.2° | 60.0° |
| N | CA | C | H8 | 54.3° | 60.0° |
| N | CA | C11 | H10 | 158.4° | 55.0° |
| N | CA | C11 | H11 | 38.1° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| H1 | C01 | H12 | H3 | 120.0° | 120.1° |
| H4 | C03 | C04 | H5 | 1.9° | 0.0° |
| H6 | C08 | C | H8 | 30.3° | 65.0° |
| H7 | C08 | C | H8 | 150.0° | 175.0° |
| H8 | C | CA | HA | 171.9° | 180.0° |
| H8 | C | O | H16 | 74.1° | 180.0° |
| HA | CA | C11 | H10 | 83.9° | 175.0° |
| HA | CA | C11 | H11 | 155.9° | 65.0° |
| HA | CA | N | H | 63.1° | 56.1° |
| HA | CA | N | H2 | 176.9° | 180.0° |
