Y2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C1 | C2 | doub | 1.35Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.49Å | |
| O | C5 | doub | 1.22Å | 1.22Å | |
| C5 | N | sing | 1.35Å | 1.34Å | |
| N | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C8 | sing | 1.35Å | 1.36Å | |
| C8 | O1 | doub | 1.22Å | 1.22Å | |
| N2 | C8 | sing | 1.35Å | 1.35Å | |
| C9 | N2 | sing | 1.46Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C12 | C10 | sing | 1.53Å | 1.49Å | |
| C13 | N1 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| N | C14 | sing | 1.47Å | 1.47Å | |
| O2 | C4 | sing | 1.35Å | 1.37Å | Aromatic |
| C1 | O2 | sing | 1.34Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 134.3° | 125.6° |
| C | C1 | O2 | 115.9° | 125.6° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C2 | C3 | 107.4° | 107.1° |
| C2 | C1 | O2 | 109.8° | 108.8° |
| C1 | C2 | H3 | 126.3° | 126.4° |
| C2 | C3 | C4 | 107.0° | 106.7° |
| C3 | C2 | H3 | 126.3° | 126.4° |
| C2 | C3 | H4 | 126.5° | 126.6° |
| C3 | C4 | C5 | 129.3° | 126.0° |
| C3 | C4 | O2 | 109.6° | 108.1° |
| C4 | C3 | H4 | 126.5° | 126.7° |
| C4 | C5 | O | 117.2° | 119.9° |
| C4 | C5 | N | 121.8° | 120.0° |
| C5 | C4 | O2 | 120.8° | 125.9° |
| O | C5 | N | 120.9° | 120.0° |
| C5 | N | C6 | 116.9° | 120.6° |
| C5 | N | C14 | 128.9° | 120.5° |
| N | C6 | C7 | 110.7° | 108.6° |
| C6 | N | C14 | 114.2° | 118.9° |
| N | C6 | H6 | 109.1° | 109.7° |
| N | C6 | H5 | 109.2° | 109.7° |
| C6 | C7 | N1 | 110.7° | 108.6° |
| C7 | C6 | H6 | 109.2° | 109.6° |
| C7 | C6 | H5 | 109.2° | 109.6° |
| C6 | C7 | H7 | 109.2° | 109.6° |
| C6 | C7 | H8 | 109.2° | 109.6° |
| C7 | N1 | C8 | 118.1° | 120.6° |
| C7 | N1 | C13 | 113.4° | 118.8° |
| N1 | C7 | H7 | 109.2° | 109.6° |
| N1 | C7 | H8 | 109.2° | 109.6° |
| N1 | C8 | O1 | 121.3° | 120.0° |
| N1 | C8 | N2 | 117.3° | 120.0° |
| C8 | N1 | C13 | 116.7° | 120.6° |
| O1 | C8 | N2 | 121.4° | 120.0° |
| C8 | N2 | C9 | 120.9° | 120.0° |
| C8 | N2 | H9 | 119.6° | 120.0° |
| N2 | C9 | C10 | 113.1° | 109.5° |
| N2 | C9 | H10 | 108.6° | 109.5° |
| N2 | C9 | H11 | 108.5° | 109.5° |
| C9 | N2 | H9 | 119.6° | 120.0° |
| C9 | C10 | C11 | 119.9° | 117.5° |
| C9 | C10 | C12 | 116.5° | 117.5° |
| C9 | C10 | H12 | 115.9° | 115.6° |
| C10 | C9 | H10 | 108.5° | 109.4° |
| C10 | C9 | H11 | 108.5° | 109.5° |
| C10 | C11 | C12 | 60.1° | 60.0° |
| C11 | C10 | C12 | 60.0° | 60.0° |
| C11 | C10 | H12 | 116.5° | 117.5° |
| C10 | C11 | H14 | 120.0° | 117.5° |
| C10 | C11 | H13 | 120.0° | 117.6° |
| C11 | C12 | C10 | 59.8° | 60.0° |
| C12 | C11 | H14 | 120.0° | 117.5° |
| C12 | C11 | H13 | 120.0° | 117.5° |
| C11 | C12 | H16 | 120.0° | 117.5° |
| C11 | C12 | H15 | 120.0° | 117.5° |
| C12 | C10 | H12 | 116.4° | 117.5° |
| C10 | C12 | H16 | 120.0° | 117.5° |
| C10 | C12 | H15 | 120.1° | 117.5° |
| N1 | C13 | C14 | 110.9° | 108.6° |
| N1 | C13 | H18 | 109.1° | 109.7° |
| N1 | C13 | H17 | 109.1° | 109.6° |
| C13 | C14 | N | 109.6° | 108.7° |
| C14 | C13 | H18 | 109.1° | 109.6° |
| C14 | C13 | H17 | 109.1° | 109.7° |
| C13 | C14 | H20 | 109.5° | 109.4° |
| C13 | C14 | H19 | 109.4° | 109.8° |
| N | C14 | H20 | 109.4° | 109.6° |
| N | C14 | H19 | 109.4° | 109.6° |
| C4 | O2 | C1 | 106.2° | 109.3° |
| H6 | C6 | H5 | 109.5° | 109.7° |
| H7 | C7 | H8 | 109.4° | 109.7° |
| H18 | C13 | H17 | 109.5° | 109.6° |
| H2 | C | H1 | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.6° |
| H1 | C | H | 109.4° | 109.5° |
| H14 | C11 | H13 | 109.5° | 115.5° |
| H16 | C12 | H15 | 109.5° | 115.5° |
| H20 | C14 | H19 | 109.5° | 109.7° |
| H10 | C9 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O2 | 178.0° | 179.9° |
| C | C1 | C2 | C3 | 177.8° | 180.0° |
| C | C1 | O2 | C4 | 177.6° | 179.8° |
| C1 | C | H2 | H1 | 120.0° | 119.9° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 119.9° |
| C | C1 | C2 | H3 | 2.2° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C2 | C1 | O2 | C4 | 0.8° | 0.1° |
| C2 | C1 | C | H2 | 177.9° | 90.1° |
| C2 | C1 | C | H1 | 57.9° | 150.0° |
| C2 | C1 | C | H | 62.1° | 30.0° |
| C1 | C2 | C3 | H4 | 179.4° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 172.6° | 180.0° |
| C2 | C3 | C4 | O2 | 1.0° | 0.3° |
| C3 | C2 | C1 | O2 | 0.2° | 0.0° |
| C3 | C4 | C5 | O2 | 173.0° | 179.6° |
| C3 | C4 | C5 | O | 5.1° | 7.5° |
| C3 | C4 | C5 | N | 178.8° | 172.6° |
| C3 | C4 | O2 | C1 | 1.1° | 0.3° |
| C4 | C3 | C2 | H3 | 179.5° | 179.8° |
| C4 | C5 | O | N | 176.1° | 180.0° |
| C4 | C5 | N | C6 | 151.6° | 6.6° |
| C4 | C5 | N | C14 | 26.6° | 173.7° |
| C5 | C4 | O2 | C1 | 173.1° | 179.9° |
| C5 | C4 | C3 | H4 | 7.4° | 0.1° |
| O | C5 | N | C6 | 24.3° | 173.4° |
| O | C5 | N | C14 | 157.5° | 6.2° |
| O | C5 | C4 | O2 | 167.9° | 172.9° |
| C5 | N | C6 | C14 | 178.5° | 179.7° |
| C5 | N | C6 | C7 | 176.1° | 124.8° |
| C5 | N | C14 | C13 | 123.0° | 124.7° |
| N | C5 | C4 | O2 | 8.2° | 7.0° |
| C5 | N | C6 | H6 | 63.7° | 5.0° |
| C5 | N | C6 | H5 | 55.9° | 115.5° |
| C5 | N | C14 | H20 | 116.9° | 115.8° |
| C5 | N | C14 | H19 | 3.0° | 4.7° |
| N | C6 | C7 | H6 | 120.2° | 119.9° |
| N | C6 | C7 | H5 | 120.2° | 119.8° |
| N | C6 | C7 | N1 | 53.0° | 49.3° |
| C6 | N | C14 | C13 | 55.2° | 55.0° |
| N | C6 | H6 | H5 | 119.4° | 120.5° |
| N | C6 | C7 | H7 | 67.2° | 70.4° |
| N | C6 | C7 | H8 | 173.2° | 169.0° |
| C6 | N | C14 | H20 | 64.8° | 64.5° |
| C6 | N | C14 | H19 | 175.2° | 175.0° |
| C6 | C7 | N1 | H7 | 120.2° | 119.8° |
| C6 | C7 | N1 | H8 | 120.2° | 119.7° |
| C6 | C7 | N1 | C8 | 163.2° | 124.8° |
| C6 | C7 | N1 | C13 | 55.0° | 55.5° |
| C7 | C6 | N | C14 | 2.4° | 54.9° |
| C7 | C6 | H6 | H5 | 119.4° | 120.3° |
| C6 | C7 | H7 | H8 | 119.4° | 120.4° |
| C7 | N1 | C8 | C13 | 140.6° | 179.7° |
| C7 | N1 | C8 | O1 | 129.9° | 5.3° |
| C7 | N1 | C8 | N2 | 50.9° | 174.7° |
| C7 | N1 | C13 | C14 | 1.5° | 55.5° |
| N1 | C7 | C6 | H6 | 173.2° | 169.2° |
| N1 | C7 | C6 | H5 | 67.2° | 70.4° |
| N1 | C7 | H7 | H8 | 119.5° | 120.4° |
| C7 | N1 | C13 | H18 | 118.7° | 175.2° |
| C7 | N1 | C13 | H17 | 121.7° | 64.4° |
| N1 | C8 | O1 | N2 | 179.2° | 180.0° |
| N1 | C8 | N2 | C9 | 170.4° | 174.8° |
| C8 | N1 | C13 | C14 | 143.9° | 124.8° |
| C8 | N1 | C7 | H7 | 76.6° | 115.4° |
| C8 | N1 | C7 | H8 | 43.0° | 5.1° |
| C8 | N1 | C13 | H18 | 23.7° | 5.0° |
| C8 | N1 | C13 | H17 | 95.9° | 115.3° |
| N1 | C8 | N2 | H9 | 9.6° | 5.2° |
| O1 | C8 | N2 | C9 | 8.8° | 5.2° |
| O1 | C8 | N1 | C13 | 10.7° | 175.0° |
| O1 | C8 | N2 | H9 | 171.2° | 174.9° |
| C8 | N2 | C9 | H9 | 180.0° | 180.0° |
| C8 | N2 | C9 | C10 | 155.3° | 180.0° |
| N2 | C8 | N1 | C13 | 168.5° | 5.0° |
| C8 | N2 | C9 | H10 | 84.2° | 60.0° |
| C8 | N2 | C9 | H11 | 34.7° | 60.0° |
| N2 | C9 | C10 | H10 | 120.6° | 120.0° |
| N2 | C9 | C10 | H11 | 120.5° | 120.0° |
| N2 | C9 | C10 | C11 | 82.9° | 175.0° |
| N2 | C9 | C10 | C12 | 151.9° | 116.4° |
| N2 | C9 | C10 | H12 | 65.4° | 29.4° |
| N2 | C9 | H10 | H11 | 118.3° | 120.0° |
| C9 | C10 | C11 | C12 | 105.2° | 107.5° |
| C9 | C10 | C11 | H12 | 148.1° | 145.0° |
| C9 | C10 | C12 | H12 | 142.4° | 145.1° |
| C9 | C10 | C11 | H14 | 145.3° | 145.0° |
| C9 | C10 | C11 | H13 | 4.3° | 0.0° |
| C9 | C10 | C12 | H16 | 139.8° | 0.1° |
| C9 | C10 | C12 | H15 | 1.4° | 145.0° |
| C10 | C9 | H10 | H11 | 118.3° | 120.0° |
| C10 | C9 | N2 | H9 | 24.7° | 0.0° |
| C10 | C11 | C12 | H14 | 109.5° | 107.5° |
| C10 | C11 | C12 | H13 | 109.5° | 107.6° |
| C11 | C10 | C12 | H12 | 106.8° | 107.4° |
| C10 | C11 | H14 | H13 | 144.7° | 145.7° |
| C11 | C10 | C12 | H16 | 109.4° | 107.5° |
| C11 | C10 | C12 | H15 | 109.4° | 107.6° |
| C11 | C10 | C9 | H10 | 37.7° | 65.0° |
| C11 | C10 | C9 | H11 | 156.6° | 55.0° |
| C12 | C11 | H14 | H13 | 144.6° | 145.7° |
| C11 | C12 | H16 | H15 | 144.8° | 145.8° |
| C10 | C12 | H16 | H15 | 144.8° | 145.6° |
| C12 | C10 | C9 | H10 | 31.3° | 3.6° |
| C12 | C10 | C9 | H11 | 87.6° | 123.6° |
| N1 | C13 | C14 | H18 | 120.2° | 119.8° |
| N1 | C13 | C14 | H17 | 120.2° | 119.8° |
| N1 | C13 | C14 | N | 52.8° | 49.4° |
| C13 | N1 | C7 | H7 | 65.2° | 64.3° |
| C13 | N1 | C7 | H8 | 175.2° | 175.2° |
| N1 | C13 | H18 | H17 | 119.3° | 120.4° |
| N1 | C13 | C14 | H20 | 67.2° | 70.2° |
| N1 | C13 | C14 | H19 | 172.8° | 169.3° |
| C13 | C14 | N | H20 | 120.0° | 119.5° |
| C13 | C14 | N | H19 | 120.0° | 120.0° |
| C14 | C13 | H18 | H17 | 119.3° | 120.4° |
| C13 | C14 | H20 | H19 | 120.0° | 120.5° |
| C14 | N | C6 | H6 | 117.8° | 174.7° |
| C14 | N | C6 | H5 | 122.6° | 64.8° |
| N | C14 | C13 | H18 | 173.0° | 169.2° |
| N | C14 | C13 | H17 | 67.4° | 70.4° |
| N | C14 | H20 | H19 | 119.9° | 120.4° |
| O2 | C4 | C3 | H4 | 178.9° | 179.8° |
| O2 | C1 | C | H2 | 0.0° | 90.0° |
| O2 | C1 | C | H1 | 120.0° | 29.9° |
| O2 | C1 | C | H | 120.0° | 149.9° |
| O2 | C1 | C2 | H3 | 179.8° | 180.0° |
| H6 | C6 | C7 | H7 | 52.9° | 49.4° |
| H6 | C6 | C7 | H8 | 66.6° | 71.1° |
| H5 | C6 | C7 | H7 | 172.6° | 169.8° |
| H5 | C6 | C7 | H8 | 53.0° | 49.3° |
| H12 | C10 | C11 | H14 | 2.9° | 0.0° |
| H12 | C10 | C11 | H13 | 143.9° | 145.0° |
| H12 | C10 | C12 | H16 | 2.7° | 145.0° |
| H12 | C10 | C12 | H15 | 143.8° | 0.1° |
| H12 | C10 | C9 | H10 | 174.0° | 149.4° |
| H12 | C10 | C9 | H11 | 55.1° | 90.6° |
| H18 | C13 | C14 | H20 | 53.0° | 49.6° |
| H18 | C13 | C14 | H19 | 66.9° | 70.9° |
| H17 | C13 | C14 | H20 | 172.6° | 169.9° |
| H17 | C13 | C14 | H19 | 52.6° | 49.5° |
| H2 | C | H1 | H | 120.0° | 120.1° |
| H14 | C11 | C12 | H16 | 0.1° | 145.0° |
| H14 | C11 | C12 | H15 | 141.0° | 0.0° |
| H13 | C11 | C12 | H16 | 141.1° | 0.1° |
| H13 | C11 | C12 | H15 | 0.1° | 145.0° |
| H3 | C2 | C3 | H4 | 0.5° | 0.1° |
| H10 | C9 | N2 | H9 | 95.8° | 120.0° |
| H11 | C9 | N2 | H9 | 145.3° | 120.0° |
