Q9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.59Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C05 | N06 | sing | 1.46Å | 1.40Å | |
| C15 | N14 | sing | 1.47Å | 1.43Å | |
| N06 | N07 | sing | 1.29Å | 1.34Å | Aromatic |
| N06 | C11 | sing | 1.38Å | 1.34Å | Aromatic |
| N14 | C12 | sing | 1.35Å | 1.45Å | |
| O13 | C12 | doub | 1.22Å | 1.24Å | |
| C12 | C11 | sing | 1.47Å | 1.56Å | |
| N07 | N08 | doub | 1.29Å | 1.34Å | Aromatic |
| C11 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| N08 | C09 | sing | 1.34Å | 1.33Å | Aromatic |
| C09 | O10 | sing | 1.36Å | 1.39Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| N14 | H16 | sing | 0.97Å | 1.00Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 111.0° | 109.5° |
| C01 | C02 | C04 | 110.3° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C01 | C02 | H7 | 107.7° | 109.5° |
| C03 | C02 | C04 | 112.5° | 109.5° |
| C03 | C02 | H7 | 107.8° | 109.4° |
| C02 | C03 | H8 | 109.5° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.4° | 109.5° |
| C02 | C04 | C05 | 115.5° | 109.5° |
| C04 | C02 | H7 | 107.3° | 109.5° |
| C02 | C04 | H11 | 107.9° | 109.5° |
| C02 | C04 | H12 | 107.9° | 109.4° |
| C04 | C05 | N06 | 106.3° | 109.5° |
| C05 | C04 | H11 | 107.9° | 109.5° |
| C05 | C04 | H12 | 108.0° | 109.4° |
| C04 | C05 | H13 | 110.3° | 109.5° |
| C04 | C05 | H14 | 110.3° | 109.4° |
| C05 | N06 | N07 | 125.7° | 126.0° |
| C05 | N06 | C11 | 126.2° | 126.0° |
| N06 | C05 | H13 | 110.3° | 109.5° |
| N06 | C05 | H14 | 110.3° | 109.4° |
| C15 | N14 | C12 | 118.2° | 120.0° |
| N14 | C15 | H1 | 109.5° | 109.5° |
| N14 | C15 | H2 | 109.5° | 109.5° |
| N14 | C15 | H3 | 109.5° | 109.5° |
| C15 | N14 | H16 | 120.9° | 120.0° |
| N07 | N06 | C11 | 108.1° | 108.0° |
| N06 | N07 | N08 | 108.9° | 111.1° |
| N06 | C11 | C12 | 125.1° | 127.4° |
| N06 | C11 | C09 | 107.2° | 105.3° |
| N14 | C12 | O13 | 118.7° | 120.0° |
| N14 | C12 | C11 | 121.6° | 120.0° |
| C12 | N14 | H16 | 120.9° | 120.0° |
| O13 | C12 | C11 | 119.7° | 120.0° |
| C12 | C11 | C09 | 127.6° | 127.3° |
| N07 | N08 | C09 | 108.3° | 109.6° |
| C11 | C09 | N08 | 107.5° | 106.0° |
| C11 | C09 | O10 | 127.7° | 127.0° |
| N08 | C09 | O10 | 124.9° | 127.0° |
| C09 | O10 | H15 | 109.5° | 114.0° |
| H1 | C15 | H2 | 109.5° | 109.4° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.4° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.4° | 109.4° |
| H8 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 124.1° | 120.0° |
| C01 | C02 | C03 | H7 | 117.8° | 120.0° |
| C01 | C02 | C04 | H7 | 117.0° | 120.0° |
| C01 | C02 | C04 | C05 | 149.7° | 65.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.1° |
| C01 | C02 | C03 | H8 | 180.0° | 60.0° |
| C01 | C02 | C03 | H9 | 60.0° | 180.0° |
| C01 | C02 | C03 | H10 | 60.0° | 60.0° |
| C01 | C02 | C04 | H11 | 28.8° | 175.0° |
| C01 | C02 | C04 | H12 | 89.4° | 55.0° |
| C03 | C02 | C04 | H7 | 118.4° | 119.9° |
| C03 | C02 | C04 | C05 | 25.2° | 175.0° |
| C03 | C02 | C01 | H4 | 180.0° | 60.0° |
| C03 | C02 | C01 | H5 | 60.0° | 60.0° |
| C03 | C02 | C01 | H6 | 60.0° | 180.0° |
| C02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C02 | C03 | H8 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C03 | C02 | C04 | H11 | 95.7° | 55.0° |
| C03 | C02 | C04 | H12 | 146.0° | 65.1° |
| C02 | C04 | C05 | H11 | 120.8° | 120.0° |
| C02 | C04 | C05 | H12 | 120.9° | 119.9° |
| C02 | C04 | C05 | N06 | 104.2° | 180.0° |
| C04 | C02 | C01 | H4 | 54.6° | 60.0° |
| C04 | C02 | C01 | H5 | 65.4° | 180.0° |
| C04 | C02 | C01 | H6 | 174.6° | 60.0° |
| C04 | C02 | C03 | H8 | 55.9° | 60.0° |
| C04 | C02 | C03 | H9 | 175.9° | 60.0° |
| C04 | C02 | C03 | H10 | 64.1° | 180.0° |
| C02 | C04 | H11 | H12 | 117.3° | 120.0° |
| C02 | C04 | C05 | H13 | 136.3° | 60.0° |
| C02 | C04 | C05 | H14 | 15.4° | 60.1° |
| C04 | C05 | N06 | H13 | 119.5° | 120.0° |
| C04 | C05 | N06 | H14 | 119.5° | 119.9° |
| C04 | C05 | N06 | N07 | 101.1° | 85.0° |
| C04 | C05 | N06 | C11 | 76.1° | 95.0° |
| C05 | C04 | C02 | H7 | 93.3° | 55.1° |
| C05 | C04 | H11 | H12 | 117.3° | 120.0° |
| C04 | C05 | H13 | H14 | 121.5° | 120.0° |
| C05 | N06 | N07 | C11 | 177.7° | 179.9° |
| C05 | N06 | C11 | C12 | 2.8° | 0.1° |
| C05 | N06 | N07 | N08 | 178.7° | 179.8° |
| C05 | N06 | C11 | C09 | 178.5° | 179.9° |
| N06 | C05 | C04 | H11 | 16.7° | 60.0° |
| N06 | C05 | C04 | H12 | 135.0° | 60.0° |
| N06 | C05 | H13 | H14 | 121.5° | 120.0° |
| C15 | N14 | C12 | H16 | 180.0° | 179.9° |
| C15 | N14 | C12 | O13 | 0.3° | 5.1° |
| C15 | N14 | C12 | C11 | 180.0° | 174.9° |
| N14 | C15 | H1 | H2 | 120.0° | 120.0° |
| N14 | C15 | H1 | H3 | 120.0° | 120.0° |
| N14 | C15 | H2 | H3 | 120.0° | 120.0° |
| N07 | N06 | C11 | C12 | 179.5° | 180.0° |
| N07 | N06 | C11 | C09 | 0.8° | 0.0° |
| N06 | N07 | N08 | C09 | 0.7° | 0.4° |
| N07 | N06 | C05 | H13 | 139.4° | 35.1° |
| N07 | N06 | C05 | H14 | 18.3° | 155.1° |
| N06 | C11 | C12 | N14 | 125.3° | 80.6° |
| N06 | C11 | C12 | O13 | 55.0° | 99.4° |
| N06 | C11 | C12 | C09 | 178.4° | 180.0° |
| C11 | N06 | N07 | N08 | 1.0° | 0.3° |
| N06 | C11 | C09 | N08 | 0.4° | 0.2° |
| N06 | C11 | C09 | O10 | 179.8° | 180.0° |
| C11 | N06 | C05 | H13 | 43.4° | 145.0° |
| C11 | N06 | C05 | H14 | 164.4° | 25.0° |
| N14 | C12 | O13 | C11 | 179.7° | 180.0° |
| N14 | C12 | C11 | C09 | 56.3° | 99.3° |
| C12 | N14 | C15 | H1 | 180.0° | 180.0° |
| C12 | N14 | C15 | H2 | 60.0° | 60.0° |
| C12 | N14 | C15 | H3 | 60.0° | 60.0° |
| O13 | C12 | C11 | C09 | 123.4° | 80.7° |
| O13 | C12 | N14 | H16 | 179.7° | 174.8° |
| C12 | C11 | C09 | N08 | 179.0° | 179.8° |
| C12 | C11 | C09 | O10 | 1.1° | 0.0° |
| C11 | C12 | N14 | H16 | 0.0° | 5.2° |
| N07 | N08 | C09 | C11 | 0.2° | 0.4° |
| N07 | N08 | C09 | O10 | 179.7° | 179.9° |
| C11 | C09 | N08 | O10 | 179.8° | 179.7° |
| C11 | C09 | O10 | H15 | 179.8° | 90.0° |
| N08 | C09 | O10 | H15 | 0.0° | 90.3° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H1 | C15 | N14 | H16 | 0.0° | 0.0° |
| H2 | C15 | N14 | H16 | 120.0° | 119.9° |
| H3 | C15 | N14 | H16 | 120.0° | 120.1° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H4 | C01 | C02 | H7 | 62.1° | 180.0° |
| H5 | C01 | C02 | H7 | 177.9° | 60.0° |
| H6 | C01 | C02 | H7 | 57.8° | 60.0° |
| H7 | C02 | C03 | H8 | 62.2° | 180.0° |
| H7 | C02 | C03 | H9 | 57.8° | 60.0° |
| H7 | C02 | C03 | H10 | 177.8° | 60.0° |
| H7 | C02 | C04 | H11 | 145.9° | 64.9° |
| H7 | C02 | C04 | H12 | 27.6° | 175.0° |
| H8 | C03 | H9 | H10 | 120.0° | 120.0° |
| H11 | C04 | C05 | H13 | 102.8° | 180.0° |
| H11 | C04 | C05 | H14 | 136.2° | 60.0° |
| H12 | C04 | C05 | H13 | 15.5° | 60.0° |
| H12 | C04 | C05 | H14 | 105.5° | 180.0° |
