CMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1Y | C1Y | sing | 1.36Å | 1.24Å | |
| O1Y | H1Y | sing | 0.98Å | 0.95Å | |
| C1Y | N1Y | sing | 1.38Å | 1.48Å | |
| C1Y | O1 | doub | 1.23Å | 31.36Å | |
| N1Y | C2Y | sing | 1.44Å | 1.48Å | |
| N1Y | H1 | sing | 1.02Å | 1.00Å | |
| C2Y | C3Y | sing | 1.53Å | 1.52Å | |
| C2Y | H2Y1 | sing | 1.09Å | 1.10Å | |
| C2Y | H2Y2 | sing | 1.09Å | 1.10Å | |
| C3Y | C4Y | sing | 1.53Å | 1.52Å | |
| C3Y | H3Y1 | sing | 1.10Å | 1.10Å | |
| C3Y | H3Y2 | sing | 1.10Å | 1.10Å | |
| C4Y | C5Y | sing | 1.53Å | 1.50Å | |
| C4Y | H4Y1 | sing | 1.10Å | 1.10Å | |
| C4Y | H4Y2 | sing | 1.10Å | 1.10Å | |
| C5Y | C6Y | sing | 1.53Å | 1.53Å | |
| C5Y | H5Y1 | sing | 1.10Å | 1.10Å | |
| C5Y | H5Y2 | sing | 1.10Å | 1.10Å | |
| C6Y | C7Y | sing | 1.53Å | 1.51Å | |
| C6Y | H6Y1 | sing | 1.10Å | 1.10Å | |
| C6Y | H6Y2 | sing | 1.10Å | 1.10Å | |
| C7Y | N2Y | sing | 1.44Å | 1.47Å | |
| C7Y | H7Y1 | sing | 1.10Å | 1.10Å | |
| C7Y | H7Y2 | sing | 1.09Å | 1.10Å | |
| N2Y | H11 | sing | 1.01Å | 1.00Å | |
| N2Y | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1Y | O1Y | H1Y | 109.5° | 111.8° |
| O1Y | C1Y | N1Y | 125.9° | 110.9° |
| O1Y | C1Y | O1 | 102.0° | 122.4° |
| N1Y | C1Y | O1 | 73.8° | 126.8° |
| C1Y | N1Y | C2Y | 117.1° | 123.8° |
| C1Y | N1Y | H1 | 121.5° | 118.1° |
| C2Y | N1Y | H1 | 121.5° | 118.1° |
| N1Y | C2Y | C3Y | 113.8° | 112.6° |
| N1Y | C2Y | H2Y1 | 107.1° | 107.9° |
| N1Y | C2Y | H2Y2 | 108.1° | 106.8° |
| C3Y | C2Y | H2Y1 | 107.1° | 111.8° |
| C3Y | C2Y | H2Y2 | 108.0° | 109.8° |
| C2Y | C3Y | C4Y | 104.9° | 114.9° |
| C2Y | C3Y | H3Y1 | 112.0° | 108.7° |
| C2Y | C3Y | H3Y2 | 111.0° | 108.9° |
| H2Y1 | C2Y | H2Y2 | 112.9° | 107.6° |
| C4Y | C3Y | H3Y1 | 112.0° | 109.2° |
| C4Y | C3Y | H3Y2 | 111.0° | 108.2° |
| C3Y | C4Y | C5Y | 111.1° | 113.4° |
| C3Y | C4Y | H4Y1 | 108.6° | 107.9° |
| C3Y | C4Y | H4Y2 | 108.9° | 110.0° |
| H3Y1 | C3Y | H3Y2 | 106.0° | 106.6° |
| C5Y | C4Y | H4Y1 | 108.5° | 109.0° |
| C5Y | C4Y | H4Y2 | 109.0° | 109.8° |
| C4Y | C5Y | C6Y | 106.8° | 111.1° |
| C4Y | C5Y | H5Y1 | 110.9° | 109.6° |
| C4Y | C5Y | H5Y2 | 110.4° | 109.8° |
| H4Y1 | C4Y | H4Y2 | 110.8° | 106.5° |
| C6Y | C5Y | H5Y1 | 110.9° | 109.5° |
| C6Y | C5Y | H5Y2 | 110.4° | 109.3° |
| C5Y | C6Y | C7Y | 109.4° | 112.5° |
| C5Y | C6Y | H6Y1 | 109.5° | 109.2° |
| C5Y | C6Y | H6Y2 | 109.5° | 109.6° |
| H5Y1 | C5Y | H5Y2 | 107.4° | 107.3° |
| C7Y | C6Y | H6Y1 | 109.5° | 108.5° |
| C7Y | C6Y | H6Y2 | 109.5° | 109.8° |
| C6Y | C7Y | N2Y | 108.7° | 112.6° |
| C6Y | C7Y | H7Y1 | 109.9° | 111.0° |
| C6Y | C7Y | H7Y2 | 109.7° | 110.1° |
| H6Y1 | C6Y | H6Y2 | 109.5° | 107.1° |
| N2Y | C7Y | H7Y1 | 109.9° | 107.8° |
| N2Y | C7Y | H7Y2 | 109.7° | 106.9° |
| C7Y | N2Y | H11 | 109.4° | 119.2° |
| C7Y | N2Y | H12 | 109.5° | 119.2° |
| H7Y1 | C7Y | H7Y2 | 108.9° | 108.1° |
| H11 | N2Y | H12 | 109.5° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1Y | C1Y | N1Y | O1 | 93.2° | 180.0° |
| O1Y | C1Y | N1Y | C2Y | 0.6° | 180.0° |
| O1Y | C1Y | N1Y | H1 | 179.4° | 0.0° |
| H1Y | O1Y | C1Y | N1Y | 78.5° | 180.0° |
| H1Y | O1Y | C1Y | O1 | 0.0° | 0.0° |
| C1Y | N1Y | C2Y | H1 | 180.0° | 180.0° |
| C1Y | N1Y | C2Y | C3Y | 61.8° | 90.0° |
| C1Y | N1Y | C2Y | H2Y1 | 56.4° | 33.8° |
| C1Y | N1Y | C2Y | H2Y2 | 178.2° | 149.4° |
| O1 | C1Y | N1Y | C2Y | 93.8° | 0.0° |
| O1 | C1Y | N1Y | H1 | 86.2° | 180.0° |
| N1Y | C2Y | C3Y | H2Y1 | 118.1° | 121.7° |
| N1Y | C2Y | C3Y | H2Y2 | 120.0° | 118.9° |
| N1Y | C2Y | H2Y1 | H2Y2 | 118.8° | 115.0° |
| N1Y | C2Y | C3Y | C4Y | 178.7° | 58.3° |
| N1Y | C2Y | C3Y | H3Y1 | 57.0° | 64.4° |
| N1Y | C2Y | C3Y | H3Y2 | 61.3° | 179.8° |
| H1 | N1Y | C2Y | C3Y | 118.2° | 90.0° |
| H1 | N1Y | C2Y | H2Y1 | 123.7° | 146.2° |
| H1 | N1Y | C2Y | H2Y2 | 1.8° | 30.6° |
| C3Y | C2Y | H2Y1 | H2Y2 | 118.8° | 120.6° |
| C2Y | C3Y | C4Y | H3Y1 | 121.7° | 122.4° |
| C2Y | C3Y | C4Y | H3Y2 | 120.0° | 121.9° |
| C2Y | C3Y | H3Y1 | H3Y2 | 121.2° | 117.3° |
| C2Y | C3Y | C4Y | C5Y | 178.8° | 177.5° |
| C2Y | C3Y | C4Y | H4Y1 | 61.9° | 56.7° |
| C2Y | C3Y | C4Y | H4Y2 | 58.8° | 59.1° |
| H2Y1 | C2Y | C3Y | C4Y | 63.2° | 180.0° |
| H2Y1 | C2Y | C3Y | H3Y1 | 175.1° | 57.3° |
| H2Y1 | C2Y | C3Y | H3Y2 | 56.8° | 58.5° |
| H2Y2 | C2Y | C3Y | C4Y | 58.7° | 60.6° |
| H2Y2 | C2Y | C3Y | H3Y1 | 63.0° | 176.7° |
| H2Y2 | C2Y | C3Y | H3Y2 | 178.7° | 60.9° |
| C4Y | C3Y | H3Y1 | H3Y2 | 121.2° | 116.6° |
| C3Y | C4Y | C5Y | H4Y1 | 119.3° | 120.2° |
| C3Y | C4Y | C5Y | H4Y2 | 120.0° | 123.5° |
| C3Y | C4Y | H4Y1 | H4Y2 | 119.5° | 118.1° |
| C3Y | C4Y | C5Y | C6Y | 179.4° | 179.7° |
| C3Y | C4Y | C5Y | H5Y1 | 58.4° | 59.1° |
| C3Y | C4Y | C5Y | H5Y2 | 60.6° | 58.6° |
| H3Y1 | C3Y | C4Y | C5Y | 57.1° | 60.0° |
| H3Y1 | C3Y | C4Y | H4Y1 | 176.4° | 179.1° |
| H3Y1 | C3Y | C4Y | H4Y2 | 63.0° | 63.3° |
| H3Y2 | C3Y | C4Y | C5Y | 61.2° | 55.6° |
| H3Y2 | C3Y | C4Y | H4Y1 | 58.1° | 65.2° |
| H3Y2 | C3Y | C4Y | H4Y2 | 178.8° | 179.0° |
| C5Y | C4Y | H4Y1 | H4Y2 | 119.6° | 118.4° |
| C4Y | C5Y | C6Y | H5Y1 | 121.0° | 121.2° |
| C4Y | C5Y | C6Y | H5Y2 | 120.0° | 121.4° |
| C4Y | C5Y | H5Y1 | H5Y2 | 120.7° | 119.2° |
| C4Y | C5Y | C6Y | C7Y | 179.2° | 179.5° |
| C4Y | C5Y | C6Y | H6Y1 | 60.8° | 60.0° |
| C4Y | C5Y | C6Y | H6Y2 | 59.2° | 57.0° |
| H4Y1 | C4Y | C5Y | C6Y | 61.3° | 60.1° |
| H4Y1 | C4Y | C5Y | H5Y1 | 177.7° | 61.1° |
| H4Y1 | C4Y | C5Y | H5Y2 | 58.8° | 178.8° |
| H4Y2 | C4Y | C5Y | C6Y | 59.4° | 56.2° |
| H4Y2 | C4Y | C5Y | H5Y1 | 61.6° | 177.4° |
| H4Y2 | C4Y | C5Y | H5Y2 | 179.4° | 64.9° |
| C6Y | C5Y | H5Y1 | H5Y2 | 120.7° | 118.6° |
| C5Y | C6Y | C7Y | H6Y1 | 120.0° | 120.9° |
| C5Y | C6Y | C7Y | H6Y2 | 120.0° | 122.4° |
| C5Y | C6Y | H6Y1 | H6Y2 | 120.0° | 118.6° |
| C5Y | C6Y | C7Y | N2Y | 60.1° | 179.0° |
| C5Y | C6Y | C7Y | H7Y1 | 60.2° | 60.0° |
| C5Y | C6Y | C7Y | H7Y2 | 179.9° | 59.7° |
| H5Y1 | C5Y | C6Y | C7Y | 58.2° | 59.3° |
| H5Y1 | C5Y | C6Y | H6Y1 | 178.2° | 61.2° |
| H5Y1 | C5Y | C6Y | H6Y2 | 61.8° | 178.2° |
| H5Y2 | C5Y | C6Y | C7Y | 60.8° | 58.1° |
| H5Y2 | C5Y | C6Y | H6Y1 | 59.2° | 178.6° |
| H5Y2 | C5Y | C6Y | H6Y2 | 179.2° | 64.4° |
| C7Y | C6Y | H6Y1 | H6Y2 | 120.0° | 118.5° |
| C6Y | C7Y | N2Y | H7Y1 | 120.3° | 122.9° |
| C6Y | C7Y | N2Y | H7Y2 | 120.0° | 121.0° |
| C6Y | C7Y | H7Y1 | H7Y2 | 120.2° | 120.9° |
| C6Y | C7Y | N2Y | H11 | 14.5° | 48.4° |
| C6Y | C7Y | N2Y | H12 | 134.5° | 145.0° |
| H6Y1 | C6Y | C7Y | N2Y | 179.9° | 58.1° |
| H6Y1 | C6Y | C7Y | H7Y1 | 59.9° | 179.1° |
| H6Y1 | C6Y | C7Y | H7Y2 | 59.9° | 61.2° |
| H6Y2 | C6Y | C7Y | N2Y | 59.9° | 58.7° |
| H6Y2 | C6Y | C7Y | H7Y1 | 179.9° | 62.4° |
| H6Y2 | C6Y | C7Y | H7Y2 | 60.1° | 177.9° |
| N2Y | C7Y | H7Y1 | H7Y2 | 120.2° | 115.3° |
| C7Y | N2Y | H11 | H12 | 120.0° | 166.5° |
| H7Y1 | C7Y | N2Y | H11 | 105.8° | 74.5° |
| H7Y1 | C7Y | N2Y | H12 | 14.2° | 92.1° |
| H7Y2 | C7Y | N2Y | H11 | 134.5° | 169.4° |
| H7Y2 | C7Y | N2Y | H12 | 105.5° | 24.0° |
