1Y3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C7 | sing | 1.52Å | 1.54Å | |
| C9 | N10 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C7 | N14 | sing | 1.49Å | 1.49Å | |
| C6 | C4 | sing | 1.55Å | 1.56Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| C4 | C15 | sing | 1.55Å | 1.55Å | |
| C4 | O3 | sing | 1.43Å | 1.44Å | |
| C13 | C11 | sing | 1.54Å | 1.54Å | |
| C13 | N14 | sing | 1.45Å | 1.44Å | |
| C11 | C16 | sing | 1.51Å | 1.50Å | |
| N14 | C15 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | O3 | sing | 1.43Å | 1.44Å | |
| C16 | O17 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| N10 | H18 | sing | 1.01Å | 1.00Å | |
| C16 | OXT | sing | 1.34Å | 28.84Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C9 | N10 | 112.7° | 107.4° |
| C9 | C7 | C6 | 112.5° | 113.7° |
| C9 | C7 | N14 | 109.1° | 107.1° |
| C9 | C7 | H9 | 110.7° | 111.4° |
| C7 | C9 | H10 | 108.7° | 109.9° |
| C7 | C9 | H11 | 108.7° | 109.8° |
| C9 | N10 | C11 | 121.7° | 112.7° |
| N10 | C9 | H10 | 108.7° | 109.9° |
| N10 | C9 | H11 | 108.6° | 109.9° |
| C9 | N10 | H18 | 106.3° | 111.0° |
| C6 | C7 | N14 | 102.4° | 102.1° |
| C7 | C6 | C4 | 103.7° | 102.0° |
| C7 | C6 | H7 | 110.9° | 111.0° |
| C7 | C6 | H8 | 110.9° | 111.0° |
| C6 | C7 | H9 | 110.5° | 111.0° |
| C7 | N14 | C13 | 107.4° | 109.3° |
| C7 | N14 | C15 | 106.3° | 105.4° |
| N14 | C7 | H9 | 111.4° | 111.1° |
| C6 | C4 | C15 | 105.2° | 105.0° |
| C6 | C4 | O3 | 111.4° | 110.3° |
| C6 | C4 | H6 | 109.5° | 110.4° |
| C4 | C6 | H7 | 110.9° | 110.9° |
| C4 | C6 | H8 | 110.9° | 110.9° |
| N10 | C11 | C13 | 113.8° | 111.0° |
| N10 | C11 | C16 | 109.5° | 109.2° |
| N10 | C11 | H12 | 108.9° | 109.2° |
| C11 | N10 | H18 | 106.3° | 111.0° |
| C15 | C4 | O3 | 109.7° | 110.4° |
| C4 | C15 | N14 | 105.4° | 105.9° |
| C15 | C4 | H6 | 109.7° | 110.4° |
| C4 | C15 | H16 | 110.5° | 110.2° |
| C4 | C15 | H17 | 110.5° | 110.1° |
| C4 | O3 | C2 | 116.8° | 114.0° |
| O3 | C4 | H6 | 111.2° | 110.3° |
| C11 | C13 | N14 | 107.2° | 107.6° |
| C13 | C11 | C16 | 107.8° | 109.2° |
| C13 | C11 | H12 | 108.1° | 109.1° |
| C11 | C13 | H13 | 110.0° | 109.8° |
| C11 | C13 | H14 | 110.0° | 109.9° |
| C13 | N14 | C15 | 117.7° | 117.9° |
| N14 | C13 | H13 | 110.0° | 109.8° |
| N14 | C13 | H14 | 110.0° | 109.8° |
| C11 | C16 | O17 | 119.8° | 120.0° |
| C16 | C11 | H12 | 108.6° | 109.1° |
| C11 | C16 | OXT | 173.7° | 120.0° |
| N14 | C15 | H16 | 110.5° | 110.2° |
| N14 | C15 | H17 | 110.5° | 110.2° |
| C1 | C2 | O3 | 109.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.3° | 109.5° |
| C1 | C2 | H5 | 109.4° | 109.4° |
| O3 | C2 | H4 | 109.3° | 109.5° |
| O3 | C2 | H5 | 109.4° | 109.5° |
| O17 | C16 | OXT | 66.4° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.4° | 110.9° |
| H10 | C9 | H11 | 109.5° | 109.9° |
| H13 | C13 | H14 | 109.5° | 109.9° |
| H16 | C15 | H17 | 109.4° | 110.2° |
| C16 | OXT | HXT | 90.0° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C9 | N10 | H10 | 120.5° | 119.5° |
| C7 | C9 | N10 | H11 | 120.5° | 119.4° |
| C9 | C7 | C6 | N14 | 117.0° | 114.9° |
| C9 | C7 | C6 | H9 | 124.3° | 126.6° |
| C9 | C7 | N14 | H9 | 122.5° | 121.9° |
| C9 | C7 | C6 | C4 | 151.1° | 155.2° |
| C7 | C9 | N10 | C11 | 18.8° | 57.8° |
| C9 | C7 | N14 | C13 | 71.1° | 68.0° |
| C9 | C7 | N14 | C15 | 162.1° | 164.3° |
| C9 | C7 | C6 | H7 | 89.8° | 37.1° |
| C9 | C7 | C6 | H8 | 32.0° | 86.7° |
| C7 | C9 | H10 | H11 | 118.5° | 121.0° |
| C7 | C9 | N10 | H18 | 140.5° | 177.0° |
| N10 | C9 | C7 | C6 | 154.3° | 174.5° |
| N10 | C9 | C7 | N14 | 41.4° | 62.6° |
| C9 | N10 | C11 | H18 | 121.7° | 125.2° |
| C9 | N10 | C11 | C13 | 21.0° | 54.9° |
| C9 | N10 | C11 | C16 | 99.7° | 65.6° |
| N10 | C9 | C7 | H9 | 81.5° | 59.2° |
| N10 | C9 | H10 | H11 | 118.5° | 121.0° |
| C9 | N10 | C11 | H12 | 141.7° | 175.2° |
| C6 | C7 | N14 | H9 | 118.1° | 118.4° |
| C7 | C6 | C4 | H7 | 119.1° | 118.2° |
| C7 | C6 | C4 | H8 | 119.1° | 118.2° |
| C7 | C6 | C4 | C15 | 14.6° | 22.3° |
| C7 | C6 | C4 | O3 | 133.3° | 141.2° |
| C6 | C7 | N14 | C13 | 169.5° | 172.3° |
| C6 | C7 | N14 | C15 | 42.6° | 44.6° |
| C7 | C6 | C4 | H6 | 103.2° | 96.7° |
| C7 | C6 | H7 | H8 | 122.7° | 123.8° |
| C6 | C7 | C9 | H10 | 33.8° | 55.0° |
| C6 | C7 | C9 | H11 | 85.3° | 66.1° |
| N14 | C7 | C6 | C4 | 34.1° | 40.3° |
| C7 | N14 | C15 | C4 | 33.4° | 30.1° |
| C7 | N14 | C13 | C11 | 72.5° | 63.3° |
| C7 | N14 | C13 | C15 | 119.8° | 120.3° |
| N14 | C7 | C6 | H7 | 153.2° | 77.8° |
| N14 | C7 | C6 | H8 | 85.0° | 158.4° |
| N14 | C7 | C9 | H10 | 79.1° | 57.0° |
| N14 | C7 | C9 | H11 | 161.8° | 178.0° |
| C7 | N14 | C13 | H13 | 167.9° | 177.2° |
| C7 | N14 | C13 | H14 | 47.2° | 56.3° |
| C7 | N14 | C15 | H16 | 85.9° | 89.0° |
| C7 | N14 | C15 | H17 | 152.8° | 149.2° |
| C6 | C4 | C15 | O3 | 119.9° | 118.9° |
| C6 | C4 | C15 | H6 | 117.7° | 119.0° |
| C6 | C4 | O3 | H6 | 122.5° | 122.2° |
| C6 | C4 | C15 | N14 | 10.7° | 4.0° |
| C6 | C4 | O3 | C2 | 90.5° | 153.0° |
| C4 | C6 | H7 | H8 | 122.7° | 123.7° |
| C4 | C6 | C7 | H9 | 84.6° | 78.2° |
| C6 | C4 | C15 | H16 | 108.7° | 115.1° |
| C6 | C4 | C15 | H17 | 130.1° | 123.1° |
| N10 | C11 | C13 | C16 | 121.7° | 120.4° |
| N10 | C11 | C13 | H12 | 121.1° | 120.3° |
| N10 | C11 | C13 | N14 | 46.4° | 56.0° |
| N10 | C11 | C16 | H12 | 118.8° | 119.3° |
| N10 | C11 | C16 | O17 | 18.1° | 20.1° |
| C11 | N10 | C9 | H10 | 101.7° | 61.7° |
| C11 | N10 | C9 | H11 | 139.2° | 177.2° |
| N10 | C11 | C13 | H13 | 166.0° | 175.5° |
| N10 | C11 | C13 | H14 | 73.3° | 63.5° |
| N10 | C11 | C16 | OXT | 167.7° | 160.0° |
| C15 | C4 | O3 | H6 | 121.5° | 122.2° |
| C4 | C15 | N14 | C13 | 153.8° | 152.4° |
| C4 | C15 | N14 | H16 | 119.4° | 119.1° |
| C4 | C15 | N14 | H17 | 119.4° | 119.1° |
| C15 | C4 | O3 | C2 | 153.5° | 91.5° |
| C15 | C4 | C6 | H7 | 133.7° | 95.9° |
| C15 | C4 | C6 | H8 | 104.5° | 140.5° |
| C4 | C15 | H16 | H17 | 121.9° | 121.7° |
| O3 | C4 | C15 | N14 | 109.2° | 114.9° |
| C4 | O3 | C2 | C1 | 120.2° | 180.0° |
| C4 | O3 | C2 | H4 | 0.1° | 60.0° |
| C4 | O3 | C2 | H5 | 119.7° | 60.0° |
| O3 | C4 | C6 | H7 | 107.6° | 23.0° |
| O3 | C4 | C6 | H8 | 14.2° | 100.6° |
| O3 | C4 | C15 | H16 | 131.5° | 126.0° |
| O3 | C4 | C15 | H17 | 10.2° | 4.2° |
| C11 | C13 | N14 | H13 | 119.6° | 119.5° |
| C11 | C13 | N14 | H14 | 119.7° | 119.5° |
| C13 | C11 | C16 | H12 | 116.9° | 119.2° |
| C11 | C13 | N14 | C15 | 167.8° | 176.4° |
| C13 | C11 | C16 | O17 | 106.2° | 101.4° |
| C11 | C13 | H13 | H14 | 121.1° | 121.0° |
| C13 | C11 | N10 | H18 | 142.7° | 179.9° |
| C13 | C11 | C16 | OXT | 68.0° | 78.5° |
| N14 | C13 | C11 | C16 | 75.3° | 64.5° |
| C13 | N14 | C7 | H9 | 51.4° | 53.9° |
| N14 | C13 | C11 | H12 | 167.4° | 176.3° |
| N14 | C13 | H13 | H14 | 121.0° | 120.9° |
| C13 | N14 | C15 | H16 | 34.5° | 33.3° |
| C13 | N14 | C15 | H17 | 86.8° | 88.6° |
| C11 | C16 | O17 | OXT | 179.3° | 179.9° |
| C16 | C11 | C13 | H13 | 44.3° | 55.1° |
| C16 | C11 | C13 | H14 | 165.0° | 176.1° |
| C16 | C11 | N10 | H18 | 22.0° | 59.6° |
| C11 | C16 | OXT | HXT | 90.0° | 180.0° |
| N14 | C15 | C4 | H6 | 128.4° | 122.9° |
| C15 | N14 | C7 | H9 | 75.5° | 73.8° |
| C15 | N14 | C13 | H13 | 48.1° | 56.9° |
| C15 | N14 | C13 | H14 | 72.6° | 64.0° |
| N14 | C15 | H16 | H17 | 121.9° | 121.8° |
| C1 | C2 | O3 | H4 | 120.0° | 120.0° |
| C1 | C2 | O3 | H5 | 120.1° | 119.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.8° | 120.0° |
| O3 | C2 | C1 | H1 | 180.0° | 60.0° |
| O3 | C2 | C1 | H2 | 60.0° | 180.0° |
| O3 | C2 | C1 | H3 | 60.0° | 60.1° |
| O3 | C2 | H4 | H5 | 119.8° | 120.0° |
| C2 | O3 | C4 | H6 | 32.0° | 30.7° |
| O17 | C16 | C11 | H12 | 136.9° | 139.3° |
| O17 | C16 | OXT | HXT | 90.0° | 0.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.0° | 179.9° |
| H1 | C1 | C2 | H5 | 59.9° | 60.0° |
| H2 | C1 | C2 | H4 | 60.0° | 60.0° |
| H2 | C1 | C2 | H5 | 179.9° | 60.0° |
| H3 | C1 | C2 | H4 | 180.0° | 60.0° |
| H3 | C1 | C2 | H5 | 60.1° | 180.0° |
| H6 | C4 | C6 | H7 | 15.9° | 145.2° |
| H6 | C4 | C6 | H8 | 137.7° | 21.5° |
| H6 | C4 | C15 | H16 | 9.0° | 3.8° |
| H6 | C4 | C15 | H17 | 112.2° | 117.9° |
| H7 | C6 | C7 | H9 | 34.5° | 163.7° |
| H8 | C6 | C7 | H9 | 156.3° | 39.9° |
| H9 | C7 | C9 | H10 | 158.0° | 178.7° |
| H9 | C7 | C9 | H11 | 38.9° | 60.3° |
| H10 | C9 | N10 | H18 | 20.0° | 63.5° |
| H11 | C9 | N10 | H18 | 99.0° | 57.6° |
| H12 | C11 | C13 | H13 | 72.9° | 64.2° |
| H12 | C11 | C13 | H14 | 47.8° | 56.8° |
| H12 | C11 | N10 | H18 | 96.6° | 59.6° |
| H12 | C11 | C16 | OXT | 48.9° | 40.8° |
