R1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.43Å | 1.41Å | |
| C11 | C09 | sing | 1.53Å | 1.57Å | |
| C09 | O10 | sing | 1.44Å | 1.32Å | |
| C09 | C08 | sing | 1.54Å | 1.68Å | |
| O10 | C06 | sing | 1.44Å | 1.55Å | |
| N16 | C15 | doub | 1.30Å | 1.23Å | |
| C08 | O13 | sing | 1.43Å | 1.45Å | |
| C08 | C07 | sing | 1.55Å | 1.29Å | |
| C15 | C03 | sing | 1.48Å | 1.56Å | |
| C15 | N17 | sing | 1.38Å | 1.50Å | |
| N04 | C03 | doub | 1.32Å | 1.29Å | Aromatic |
| N04 | N05 | sing | 1.40Å | 1.34Å | Aromatic |
| C03 | N02 | sing | 1.34Å | 1.35Å | Aromatic |
| C06 | N05 | sing | 1.47Å | 1.44Å | |
| C06 | C07 | sing | 1.55Å | 1.58Å | |
| N05 | C01 | sing | 1.35Å | 1.30Å | Aromatic |
| N02 | C01 | doub | 1.31Å | 1.30Å | Aromatic |
| C07 | O14 | sing | 1.43Å | 1.39Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| N16 | H8 | sing | 0.97Å | 1.00Å | |
| N17 | H9 | sing | 0.97Å | 1.00Å | |
| N17 | H10 | sing | 0.97Å | 1.00Å | |
| O12 | H11 | sing | 0.97Å | 0.95Å | |
| O13 | H12 | sing | 0.97Å | 0.95Å | |
| O14 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C09 | 105.4° | 109.5° |
| O12 | C11 | H6 | 110.5° | 109.5° |
| O12 | C11 | H7 | 110.5° | 109.5° |
| C11 | O12 | H11 | 109.5° | 114.0° |
| C11 | C09 | O10 | 104.8° | 109.9° |
| C11 | C09 | C08 | 111.1° | 109.9° |
| C11 | C09 | H5 | 109.7° | 110.0° |
| C09 | C11 | H6 | 110.5° | 109.5° |
| C09 | C11 | H7 | 110.5° | 109.5° |
| O10 | C09 | C08 | 109.4° | 107.3° |
| C09 | O10 | C06 | 106.6° | 106.9° |
| O10 | C09 | H5 | 113.6° | 109.9° |
| C09 | C08 | O13 | 110.0° | 110.5° |
| C09 | C08 | C07 | 107.9° | 104.2° |
| C09 | C08 | H4 | 106.6° | 110.6° |
| C08 | C09 | H5 | 108.3° | 109.8° |
| O10 | C06 | N05 | 99.4° | 110.6° |
| O10 | C06 | C07 | 107.0° | 103.5° |
| O10 | C06 | H2 | 109.0° | 110.8° |
| N16 | C15 | C03 | 118.9° | 120.0° |
| N16 | C15 | N17 | 120.2° | 120.0° |
| C15 | N16 | H8 | 112.0° | 120.0° |
| O13 | C08 | C07 | 111.2° | 110.5° |
| O13 | C08 | H4 | 109.3° | 110.4° |
| C08 | O13 | H12 | 109.5° | 114.0° |
| C08 | C07 | C06 | 107.3° | 102.1° |
| C08 | C07 | O14 | 112.8° | 110.9° |
| C08 | C07 | H3 | 113.0° | 110.9° |
| C07 | C08 | H4 | 111.7° | 110.5° |
| C03 | C15 | N17 | 120.8° | 120.0° |
| C15 | C03 | N04 | 128.0° | 125.7° |
| C15 | C03 | N02 | 124.0° | 125.7° |
| C15 | N17 | H9 | 120.0° | 120.0° |
| C15 | N17 | H10 | 120.0° | 120.0° |
| C03 | N04 | N05 | 106.5° | 106.7° |
| N04 | C03 | N02 | 108.0° | 108.7° |
| N04 | N05 | C06 | 126.2° | 126.7° |
| N04 | N05 | C01 | 109.8° | 106.5° |
| C03 | N02 | C01 | 108.6° | 109.8° |
| N05 | C06 | C07 | 121.4° | 110.6° |
| C06 | N05 | C01 | 124.1° | 126.8° |
| N05 | C06 | H2 | 110.6° | 110.5° |
| C06 | C07 | O14 | 103.3° | 110.9° |
| C07 | C06 | H2 | 108.6° | 110.6° |
| C06 | C07 | H3 | 108.6° | 110.9° |
| N05 | C01 | N02 | 107.0° | 108.3° |
| N05 | C01 | H1 | 126.5° | 125.8° |
| N02 | C01 | H1 | 126.5° | 125.8° |
| O14 | C07 | H3 | 111.3° | 110.8° |
| C07 | O14 | H13 | 109.5° | 114.0° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H9 | N17 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C09 | H6 | 119.4° | 120.0° |
| O12 | C11 | C09 | H7 | 119.3° | 120.0° |
| O12 | C11 | C09 | O10 | 35.5° | 66.4° |
| O12 | C11 | C09 | C08 | 153.5° | 175.7° |
| O12 | C11 | C09 | H5 | 86.8° | 54.6° |
| O12 | C11 | H6 | H7 | 121.9° | 120.0° |
| C11 | C09 | O10 | C08 | 119.1° | 119.5° |
| C11 | C09 | O10 | H5 | 119.7° | 121.2° |
| C11 | C09 | C08 | H5 | 120.5° | 121.1° |
| C11 | C09 | O10 | C06 | 122.1° | 145.9° |
| C11 | C09 | C08 | O13 | 129.7° | 119.8° |
| C11 | C09 | C08 | C07 | 108.8° | 121.5° |
| C11 | C09 | C08 | H4 | 11.3° | 2.7° |
| C09 | C11 | H6 | H7 | 121.9° | 120.0° |
| C09 | C11 | O12 | H11 | 180.0° | 180.0° |
| O10 | C09 | C08 | H5 | 124.3° | 119.4° |
| O10 | C09 | C08 | O13 | 115.1° | 120.7° |
| O10 | C09 | C08 | C07 | 6.3° | 2.0° |
| C09 | O10 | C06 | N05 | 136.9° | 158.6° |
| C09 | O10 | C06 | C07 | 9.9° | 40.0° |
| C09 | O10 | C06 | H2 | 107.4° | 78.5° |
| O10 | C09 | C08 | H4 | 126.5° | 116.7° |
| O10 | C09 | C11 | H6 | 83.9° | 173.5° |
| O10 | C09 | C11 | H7 | 154.8° | 53.5° |
| C08 | C09 | O10 | C06 | 3.0° | 26.5° |
| C09 | C08 | O13 | C07 | 119.4° | 114.8° |
| C09 | C08 | O13 | H4 | 116.7° | 122.7° |
| C09 | C08 | C07 | H4 | 116.8° | 118.8° |
| C09 | C08 | C07 | C06 | 12.0° | 20.9° |
| C09 | C08 | C07 | O14 | 125.1° | 139.1° |
| C09 | C08 | C07 | H3 | 107.6° | 97.3° |
| C08 | C09 | C11 | H6 | 34.1° | 55.7° |
| C08 | C09 | C11 | H7 | 87.2° | 64.3° |
| C09 | C08 | O13 | H12 | 180.0° | 176.2° |
| O10 | C06 | C07 | C08 | 14.3° | 37.0° |
| O10 | C06 | N05 | N04 | 84.9° | 59.1° |
| O10 | C06 | N05 | C07 | 116.6° | 114.1° |
| O10 | C06 | N05 | H2 | 114.5° | 123.0° |
| O10 | C06 | C07 | H2 | 117.5° | 118.7° |
| O10 | C06 | N05 | C01 | 94.5° | 121.0° |
| O10 | C06 | C07 | O14 | 133.6° | 155.3° |
| O10 | C06 | C07 | H3 | 108.2° | 81.2° |
| C06 | O10 | C09 | H5 | 118.2° | 92.9° |
| N16 | C15 | C03 | N17 | 178.8° | 180.0° |
| N16 | C15 | C03 | N04 | 133.1° | 0.2° |
| N16 | C15 | C03 | N02 | 47.3° | 180.0° |
| N16 | C15 | N17 | H9 | 178.8° | 180.0° |
| N16 | C15 | N17 | H10 | 1.2° | 0.0° |
| O13 | C08 | C07 | H4 | 122.5° | 122.5° |
| O13 | C08 | C07 | C06 | 108.7° | 97.8° |
| O13 | C08 | C07 | O14 | 4.4° | 20.4° |
| O13 | C08 | C07 | H3 | 131.7° | 144.0° |
| O13 | C08 | C09 | H5 | 9.2° | 1.3° |
| C08 | C07 | C06 | N05 | 126.9° | 155.5° |
| C08 | C07 | C06 | O14 | 119.3° | 118.2° |
| C08 | C07 | C06 | H3 | 122.4° | 118.2° |
| C08 | C07 | O14 | H3 | 128.2° | 123.7° |
| C08 | C07 | C06 | H2 | 103.3° | 81.7° |
| C07 | C08 | C09 | H5 | 130.6° | 117.4° |
| C07 | C08 | O13 | H12 | 60.6° | 61.4° |
| C08 | C07 | O14 | H13 | 180.0° | 67.2° |
| C15 | C03 | N04 | N02 | 179.6° | 179.8° |
| C15 | C03 | N04 | N05 | 179.5° | 179.8° |
| C15 | C03 | N02 | C01 | 179.4° | 180.0° |
| C03 | C15 | N16 | H8 | 178.8° | 179.9° |
| C03 | C15 | N17 | H9 | 0.0° | 0.0° |
| C03 | C15 | N17 | H10 | 180.0° | 180.0° |
| N17 | C15 | C03 | N04 | 48.1° | 179.8° |
| N17 | C15 | C03 | N02 | 131.5° | 0.0° |
| N17 | C15 | N16 | H8 | 0.0° | 0.1° |
| C15 | N17 | H9 | H10 | 180.0° | 180.0° |
| C03 | N04 | N05 | C06 | 179.4° | 179.9° |
| C03 | N04 | N05 | C01 | 0.1° | 0.2° |
| N04 | C03 | N02 | C01 | 0.3° | 0.2° |
| N05 | N04 | C03 | N02 | 0.1° | 0.0° |
| N04 | N05 | C06 | C01 | 179.4° | 179.9° |
| N04 | N05 | C06 | C07 | 31.6° | 55.0° |
| N04 | N05 | C01 | N02 | 0.3° | 0.3° |
| N04 | N05 | C01 | H1 | 179.8° | 180.0° |
| N04 | N05 | C06 | H2 | 160.6° | 177.8° |
| C03 | N02 | C01 | N05 | 0.3° | 0.3° |
| C03 | N02 | C01 | H1 | 179.7° | 180.0° |
| N05 | C06 | C07 | H2 | 129.8° | 122.8° |
| C06 | N05 | C01 | N02 | 179.2° | 179.8° |
| N05 | C06 | C07 | O14 | 113.8° | 86.2° |
| C06 | N05 | C01 | H1 | 0.8° | 0.1° |
| N05 | C06 | C07 | H3 | 4.5° | 37.3° |
| C07 | C06 | N05 | C01 | 149.0° | 124.9° |
| C06 | C07 | O14 | H3 | 116.3° | 123.6° |
| C06 | C07 | C08 | H4 | 128.8° | 139.7° |
| C06 | C07 | O14 | H13 | 64.5° | 179.9° |
| N05 | C01 | N02 | H1 | 180.0° | 179.7° |
| C01 | N05 | C06 | H2 | 20.0° | 2.1° |
| O14 | C07 | C06 | H2 | 16.1° | 36.6° |
| O14 | C07 | C08 | H4 | 118.1° | 102.1° |
| H2 | C06 | C07 | H3 | 134.3° | 160.1° |
| H3 | C07 | C08 | H4 | 9.2° | 21.5° |
| H3 | C07 | O14 | H13 | 51.8° | 56.5° |
| H4 | C08 | C09 | H5 | 109.2° | 123.9° |
| H4 | C08 | O13 | H12 | 63.3° | 61.1° |
| H5 | C09 | C11 | H6 | 153.8° | 65.4° |
| H5 | C09 | C11 | H7 | 32.5° | 174.6° |
| H6 | C11 | O12 | H11 | 60.7° | 60.0° |
| H7 | C11 | O12 | H11 | 60.7° | 60.0° |
