Y1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.23Å | |
| N | C | sing | 1.35Å | 1.35Å | |
| C1 | N | sing | 1.47Å | 1.45Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C2 | C3 | sing | 1.50Å | 1.43Å | |
| C3 | C4 | sing | 1.54Å | 1.42Å | |
| C4 | C5 | sing | 1.55Å | 1.35Å | |
| C5 | S | sing | 1.83Å | 1.70Å | |
| S | C2 | doub | 1.56Å | 1.75Å | |
| C | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O1 | doub | 1.22Å | 1.22Å | |
| C9 | C8 | sing | 1.47Å | 1.48Å | |
| C9 | C10 | doub | 1.37Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.31Å | Aromatic |
| C12 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| O2 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| C13 | N2 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| N1 | C14 | sing | 1.47Å | 1.47Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| S | H20 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 121.7° | 120.0° |
| O | C | N1 | 121.0° | 120.0° |
| C | N | C1 | 120.9° | 120.0° |
| N | C | N1 | 117.4° | 120.0° |
| C | N | H | 119.6° | 120.0° |
| N | C1 | C2 | 113.2° | 109.5° |
| C1 | N | H | 119.6° | 120.0° |
| N | C1 | H1 | 108.6° | 109.4° |
| N | C1 | H2 | 108.6° | 109.5° |
| C1 | C2 | C3 | 122.6° | 125.0° |
| C1 | C2 | S | 125.0° | 125.0° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H2 | 108.5° | 109.5° |
| C2 | C3 | C4 | 108.8° | 111.9° |
| C3 | C2 | S | 112.4° | 110.0° |
| C2 | C3 | H3 | 109.6° | 109.0° |
| C2 | C3 | H19 | 109.6° | 109.0° |
| C3 | C4 | C5 | 114.5° | 104.3° |
| C3 | C4 | H4 | 108.2° | 110.5° |
| C3 | C4 | H17 | 108.2° | 110.6° |
| C4 | C3 | H3 | 109.6° | 109.0° |
| C4 | C3 | H19 | 109.6° | 109.0° |
| C4 | C5 | S | 114.4° | 100.6° |
| C5 | C4 | H4 | 108.2° | 110.5° |
| C5 | C4 | H17 | 108.2° | 110.5° |
| C4 | C5 | H5 | 108.2° | 111.2° |
| C4 | C5 | H18 | 108.2° | 111.2° |
| C5 | S | C2 | 90.0° | 98.6° |
| S | C5 | H5 | 108.2° | 111.2° |
| S | C5 | H18 | 108.2° | 111.2° |
| C5 | S | H20 | 114.1° | 103.0° |
| C2 | S | H20 | 114.1° | 103.0° |
| C | N1 | C6 | 119.0° | 120.6° |
| C | N1 | C14 | 124.7° | 120.6° |
| N1 | C6 | C7 | 110.5° | 108.7° |
| C6 | N1 | C14 | 114.4° | 118.8° |
| N1 | C6 | H6 | 109.2° | 109.6° |
| N1 | C6 | H7 | 109.2° | 109.6° |
| C6 | C7 | N2 | 109.6° | 108.7° |
| C7 | C6 | H6 | 109.2° | 109.6° |
| C7 | C6 | H7 | 109.2° | 109.7° |
| C6 | C7 | H9 | 109.4° | 109.6° |
| C6 | C7 | H8 | 109.5° | 109.6° |
| C7 | N2 | C8 | 129.3° | 120.6° |
| C7 | N2 | C13 | 109.2° | 118.8° |
| N2 | C7 | H9 | 109.5° | 109.6° |
| N2 | C7 | H8 | 109.4° | 109.6° |
| N2 | C8 | O1 | 120.3° | 120.0° |
| N2 | C8 | C9 | 120.8° | 120.0° |
| C8 | N2 | C13 | 121.5° | 120.6° |
| O1 | C8 | C9 | 118.8° | 120.0° |
| C8 | C9 | C10 | 129.5° | 126.0° |
| C8 | C9 | O2 | 120.7° | 126.0° |
| C9 | C10 | C11 | 106.8° | 106.7° |
| C10 | C9 | O2 | 109.6° | 108.0° |
| C9 | C10 | H10 | 126.6° | 126.7° |
| C10 | C11 | C12 | 107.1° | 107.1° |
| C11 | C10 | H10 | 126.6° | 126.7° |
| C10 | C11 | H11 | 126.4° | 126.4° |
| C11 | C12 | O2 | 110.8° | 108.8° |
| C12 | C11 | H11 | 126.5° | 126.4° |
| C11 | C12 | H12 | 124.6° | 125.6° |
| C12 | O2 | C9 | 105.7° | 109.4° |
| O2 | C12 | H12 | 124.6° | 125.6° |
| N2 | C13 | C14 | 109.1° | 108.6° |
| N2 | C13 | H13 | 109.6° | 109.6° |
| N2 | C13 | H14 | 109.6° | 109.6° |
| C13 | C14 | N1 | 110.5° | 108.6° |
| C14 | C13 | H13 | 109.6° | 109.6° |
| C14 | C13 | H14 | 109.6° | 109.8° |
| C13 | C14 | H16 | 109.2° | 109.6° |
| C13 | C14 | H15 | 109.2° | 109.6° |
| N1 | C14 | H16 | 109.2° | 109.7° |
| N1 | C14 | H15 | 109.2° | 109.6° |
| H4 | C4 | H17 | 109.5° | 110.3° |
| H5 | C5 | H18 | 109.5° | 111.1° |
| H6 | C6 | H7 | 109.5° | 109.8° |
| H9 | C7 | H8 | 109.5° | 109.7° |
| H13 | C13 | H14 | 109.5° | 109.6° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H16 | C14 | H15 | 109.5° | 109.8° |
| H3 | C3 | H19 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | N1 | 178.9° | 180.0° |
| O | C | N | C1 | 7.5° | 5.1° |
| O | C | N1 | C6 | 11.1° | 5.2° |
| O | C | N1 | C14 | 174.4° | 175.0° |
| O | C | N | H | 172.5° | 174.8° |
| C | N | C1 | H | 180.0° | 179.9° |
| C | N | C1 | C2 | 89.4° | 180.0° |
| N | C | N1 | C6 | 167.8° | 174.8° |
| N | C | N1 | C14 | 4.5° | 5.0° |
| C | N | C1 | H1 | 31.1° | 60.0° |
| C | N | C1 | H2 | 150.0° | 60.0° |
| N | C1 | C2 | H1 | 120.6° | 120.0° |
| N | C1 | C2 | H2 | 120.6° | 120.0° |
| N | C1 | C2 | C3 | 143.5° | 180.0° |
| N | C1 | C2 | S | 34.7° | 0.1° |
| C1 | N | C | N1 | 171.4° | 174.9° |
| N | C1 | H1 | H2 | 118.3° | 120.0° |
| C1 | C2 | C3 | S | 178.4° | 179.9° |
| C1 | C2 | C3 | C4 | 177.9° | 176.9° |
| C1 | C2 | S | C5 | 177.7° | 161.3° |
| C2 | C1 | N | H | 90.6° | 0.1° |
| C2 | C1 | H1 | H2 | 118.3° | 120.0° |
| C1 | C2 | C3 | H3 | 62.2° | 62.5° |
| C1 | C2 | C3 | H19 | 58.0° | 56.2° |
| C1 | C2 | S | H20 | 65.7° | 93.1° |
| C2 | C3 | C4 | H3 | 119.9° | 120.7° |
| C2 | C3 | C4 | H19 | 119.9° | 120.7° |
| C2 | C3 | C4 | C5 | 0.0° | 27.9° |
| C3 | C2 | S | C5 | 0.7° | 18.6° |
| C2 | C3 | C4 | H4 | 120.7° | 146.7° |
| C2 | C3 | C4 | H17 | 120.7° | 90.9° |
| C3 | C2 | C1 | H1 | 95.9° | 60.0° |
| C3 | C2 | C1 | H2 | 22.9° | 60.0° |
| C2 | C3 | H3 | H19 | 120.3° | 118.8° |
| C3 | C2 | S | H20 | 115.9° | 87.0° |
| C3 | C4 | C5 | H4 | 120.7° | 118.8° |
| C3 | C4 | C5 | H17 | 120.7° | 118.9° |
| C3 | C4 | C5 | S | 0.5° | 36.4° |
| C4 | C3 | C2 | S | 0.5° | 3.2° |
| C3 | C4 | H4 | H17 | 117.7° | 122.6° |
| C3 | C4 | C5 | H5 | 121.2° | 154.3° |
| C3 | C4 | C5 | H18 | 120.2° | 81.5° |
| C4 | C3 | H3 | H19 | 120.3° | 118.8° |
| C4 | C5 | S | H5 | 120.7° | 117.8° |
| C4 | C5 | S | H18 | 120.7° | 117.8° |
| C4 | C5 | S | C2 | 0.7° | 33.9° |
| C5 | C4 | H4 | H17 | 117.7° | 122.5° |
| C4 | C5 | H5 | H18 | 117.7° | 124.3° |
| C5 | C4 | C3 | H3 | 119.9° | 92.8° |
| C5 | C4 | C3 | H19 | 119.9° | 148.6° |
| C4 | C5 | S | H20 | 115.9° | 71.7° |
| C5 | S | C2 | H20 | 116.6° | 105.6° |
| S | C5 | C4 | H4 | 120.2° | 155.2° |
| S | C5 | C4 | H17 | 121.2° | 82.5° |
| S | C5 | H5 | H18 | 117.8° | 124.4° |
| C2 | S | C5 | H5 | 121.4° | 151.7° |
| C2 | S | C5 | H18 | 120.0° | 83.9° |
| S | C2 | C1 | H1 | 85.8° | 120.0° |
| S | C2 | C1 | H2 | 155.3° | 119.9° |
| S | C2 | C3 | H3 | 119.4° | 117.5° |
| S | C2 | C3 | H19 | 120.4° | 123.8° |
| C | N1 | C6 | C14 | 165.0° | 179.8° |
| C | N1 | C6 | C7 | 145.4° | 125.0° |
| C | N1 | C14 | C13 | 144.9° | 125.0° |
| C | N1 | C6 | H6 | 25.2° | 115.3° |
| C | N1 | C6 | H7 | 94.4° | 5.2° |
| N1 | C | N | H | 8.6° | 5.2° |
| C | N1 | C14 | H16 | 24.7° | 5.3° |
| C | N1 | C14 | H15 | 95.0° | 115.3° |
| N1 | C6 | C7 | H6 | 120.2° | 119.7° |
| N1 | C6 | C7 | H7 | 120.2° | 119.8° |
| N1 | C6 | C7 | N2 | 54.6° | 49.4° |
| C6 | N1 | C14 | C13 | 51.2° | 55.2° |
| N1 | C6 | H6 | H7 | 119.5° | 120.4° |
| N1 | C6 | C7 | H9 | 65.4° | 169.2° |
| N1 | C6 | C7 | H8 | 174.6° | 70.4° |
| C6 | N1 | C14 | H16 | 171.3° | 174.9° |
| C6 | N1 | C14 | H15 | 69.0° | 64.5° |
| C6 | C7 | N2 | H9 | 120.0° | 119.8° |
| C6 | C7 | N2 | H8 | 120.0° | 119.7° |
| C6 | C7 | N2 | C8 | 115.3° | 124.8° |
| C6 | C7 | N2 | C13 | 63.2° | 55.2° |
| C7 | C6 | N1 | C14 | 49.6° | 55.2° |
| C7 | C6 | H6 | H7 | 119.5° | 120.5° |
| C6 | C7 | H9 | H8 | 120.0° | 120.4° |
| C7 | N2 | C8 | C13 | 178.3° | 180.0° |
| C7 | N2 | C8 | O1 | 165.8° | 173.4° |
| C7 | N2 | C8 | C9 | 16.6° | 6.5° |
| C7 | N2 | C13 | C14 | 64.6° | 55.2° |
| N2 | C7 | C6 | H6 | 174.7° | 70.3° |
| N2 | C7 | C6 | H7 | 65.6° | 169.2° |
| N2 | C7 | H9 | H8 | 120.0° | 120.4° |
| C7 | N2 | C13 | H13 | 55.4° | 64.5° |
| C7 | N2 | C13 | H14 | 175.5° | 175.2° |
| N2 | C8 | O1 | C9 | 177.6° | 179.9° |
| N2 | C8 | C9 | C10 | 171.3° | 172.6° |
| N2 | C8 | C9 | O2 | 14.4° | 8.0° |
| C8 | N2 | C13 | C14 | 114.0° | 124.8° |
| C8 | N2 | C7 | H9 | 124.7° | 5.0° |
| C8 | N2 | C7 | H8 | 4.7° | 115.4° |
| C8 | N2 | C13 | H13 | 126.0° | 115.5° |
| C8 | N2 | C13 | H14 | 5.9° | 4.9° |
| O1 | C8 | C9 | C10 | 11.1° | 7.3° |
| O1 | C8 | C9 | O2 | 163.2° | 172.1° |
| O1 | C8 | N2 | C13 | 15.9° | 6.7° |
| C8 | C9 | C10 | O2 | 174.8° | 179.5° |
| C8 | C9 | C10 | C11 | 174.7° | 180.0° |
| C8 | C9 | O2 | C12 | 174.8° | 180.0° |
| C9 | C8 | N2 | C13 | 161.7° | 173.4° |
| C8 | C9 | C10 | H10 | 5.3° | 0.3° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | C9 | O2 | C12 | 0.6° | 0.5° |
| C9 | C10 | C11 | H11 | 179.5° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | O2 | 0.8° | 0.0° |
| C11 | C10 | C9 | O2 | 0.1° | 0.4° |
| C10 | C11 | C12 | H12 | 179.2° | 180.0° |
| C11 | C12 | O2 | H12 | 180.0° | 180.0° |
| C11 | C12 | O2 | C9 | 0.9° | 0.3° |
| C12 | C11 | C10 | H10 | 179.5° | 179.9° |
| O2 | C12 | C11 | H11 | 179.2° | 179.9° |
| O2 | C9 | C10 | H10 | 179.9° | 179.8° |
| C9 | O2 | C12 | H12 | 179.1° | 179.7° |
| N2 | C13 | C14 | H13 | 119.9° | 119.7° |
| N2 | C13 | C14 | H14 | 119.9° | 119.9° |
| N2 | C13 | C14 | N1 | 57.5° | 49.4° |
| C13 | N2 | C7 | H9 | 56.8° | 175.0° |
| C13 | N2 | C7 | H8 | 176.8° | 64.5° |
| N2 | C13 | H13 | H14 | 120.2° | 120.3° |
| N2 | C13 | C14 | H16 | 177.6° | 169.2° |
| N2 | C13 | C14 | H15 | 62.6° | 70.4° |
| C13 | C14 | N1 | H16 | 120.2° | 119.7° |
| C13 | C14 | N1 | H15 | 120.2° | 119.7° |
| C14 | C13 | H13 | H14 | 120.2° | 120.5° |
| C13 | C14 | H16 | H15 | 119.5° | 120.4° |
| C14 | N1 | C6 | H6 | 169.8° | 64.5° |
| C14 | N1 | C6 | H7 | 70.5° | 175.0° |
| N1 | C14 | C13 | H13 | 62.4° | 70.3° |
| N1 | C14 | C13 | H14 | 177.4° | 169.3° |
| N1 | C14 | H16 | H15 | 119.5° | 120.5° |
| H4 | C4 | C5 | H5 | 0.5° | 87.0° |
| H4 | C4 | C5 | H18 | 119.1° | 37.3° |
| H4 | C4 | C3 | H3 | 0.9° | 26.0° |
| H4 | C4 | C3 | H19 | 119.4° | 92.7° |
| H17 | C4 | C5 | H5 | 118.0° | 35.4° |
| H17 | C4 | C5 | H18 | 0.5° | 159.7° |
| H17 | C4 | C3 | H3 | 119.4° | 148.5° |
| H17 | C4 | C3 | H19 | 0.9° | 29.8° |
| H5 | C5 | S | H20 | 4.8° | 46.2° |
| H18 | C5 | S | H20 | 123.4° | 170.5° |
| H6 | C6 | C7 | H9 | 54.7° | 49.5° |
| H6 | C6 | C7 | H8 | 65.3° | 169.9° |
| H7 | C6 | C7 | H9 | 174.4° | 71.1° |
| H7 | C6 | C7 | H8 | 54.4° | 49.4° |
| H10 | C10 | C11 | H11 | 0.5° | 0.0° |
| H13 | C13 | C14 | H16 | 57.7° | 49.5° |
| H13 | C13 | C14 | H15 | 177.4° | 169.9° |
| H14 | C13 | C14 | H16 | 62.4° | 71.0° |
| H14 | C13 | C14 | H15 | 57.3° | 49.5° |
| H | N | C1 | H1 | 148.9° | 120.0° |
| H | N | C1 | H2 | 30.0° | 120.0° |
| H11 | C11 | C12 | H12 | 0.8° | 0.1° |
