MY1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N2 | sing | 1.35Å | 1.39Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | C9 | sing | 1.51Å | 1.52Å | |
| N2 | N | sing | 1.37Å | 1.44Å | |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C6 | O7 | sing | 1.34Å | 1.34Å | |
| C6 | O8 | doub | 1.21Å | 1.22Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C10 | O11 | sing | 1.43Å | 1.45Å | |
| C10 | C12 | sing | 1.51Å | 1.58Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | N13 | sing | 1.35Å | 1.45Å | |
| C12 | O14 | doub | 1.21Å | 1.25Å | |
| N13 | C15 | sing | 1.46Å | 1.50Å | |
| N13 | C16 | sing | 1.47Å | 1.50Å | |
| C15 | C23 | sing | 1.51Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.47Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.45Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.44Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.47Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C | O | 120.4° | 120.0° |
| N2 | C | C9 | 119.6° | 120.0° |
| C | N2 | N | 117.6° | 120.0° |
| C | N2 | C5 | 127.6° | 120.0° |
| O | C | C9 | 120.0° | 120.0° |
| C | C9 | C10 | 119.0° | 109.5° |
| C | C9 | H9C1 | 104.2° | 109.4° |
| C | C9 | H9C2 | 106.4° | 109.5° |
| N | N2 | C5 | 114.7° | 120.0° |
| N2 | N | H | 109.5° | 106.7° |
| N2 | N | H2 | 109.5° | 106.7° |
| N2 | C5 | C6 | 116.9° | 109.5° |
| N2 | C5 | H5C1 | 105.4° | 109.5° |
| N2 | C5 | H5C2 | 107.1° | 109.5° |
| H | N | H2 | 109.4° | 106.7° |
| C6 | C5 | H5C1 | 105.4° | 109.5° |
| C6 | C5 | H5C2 | 107.1° | 109.4° |
| C5 | C6 | O7 | 110.3° | 120.0° |
| C5 | C6 | O8 | 127.8° | 120.0° |
| H5C1 | C5 | H5C2 | 115.5° | 109.5° |
| O7 | C6 | O8 | 121.8° | 120.0° |
| C6 | O7 | H7 | 109.5° | 120.0° |
| C10 | C9 | H9C1 | 104.2° | 109.5° |
| C10 | C9 | H9C2 | 106.4° | 109.5° |
| C9 | C10 | O11 | 108.7° | 109.5° |
| C9 | C10 | C12 | 109.8° | 109.5° |
| C9 | C10 | H10 | 110.2° | 109.5° |
| H9C1 | C9 | H9C2 | 117.3° | 109.5° |
| O11 | C10 | C12 | 110.8° | 109.4° |
| O11 | C10 | H10 | 109.2° | 109.5° |
| C10 | O11 | H11 | 109.5° | 106.8° |
| C12 | C10 | H10 | 108.1° | 109.5° |
| C10 | C12 | N13 | 123.7° | 119.9° |
| C10 | C12 | O14 | 114.8° | 120.0° |
| N13 | C12 | O14 | 121.5° | 120.1° |
| C12 | N13 | C15 | 116.7° | 120.0° |
| C12 | N13 | C16 | 126.2° | 119.9° |
| C15 | N13 | C16 | 117.2° | 120.0° |
| N13 | C15 | C23 | 116.1° | 109.5° |
| N13 | C15 | H151 | 105.8° | 109.5° |
| N13 | C15 | H152 | 107.3° | 109.5° |
| N13 | C16 | C17 | 116.9° | 109.4° |
| N13 | C16 | H161 | 105.4° | 109.4° |
| N13 | C16 | H162 | 107.1° | 109.5° |
| C23 | C15 | H151 | 105.8° | 109.5° |
| C23 | C15 | H152 | 107.3° | 109.4° |
| C15 | C23 | C24 | 118.7° | 120.0° |
| C15 | C23 | C28 | 122.5° | 120.0° |
| H151 | C15 | H152 | 114.8° | 109.5° |
| C17 | C16 | H161 | 105.3° | 109.4° |
| C17 | C16 | H162 | 107.1° | 109.5° |
| C16 | C17 | C18 | 118.7° | 120.0° |
| C16 | C17 | C22 | 122.1° | 119.9° |
| H161 | C16 | H162 | 115.5° | 109.5° |
| C18 | C17 | C22 | 119.1° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C17 | C22 | C21 | 120.8° | 120.0° |
| C17 | C22 | H22 | 119.6° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.5° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.0° |
| C20 | C21 | C22 | 119.1° | 120.0° |
| C20 | C21 | H21 | 120.5° | 120.0° |
| C22 | C21 | H21 | 120.5° | 120.0° |
| C21 | C22 | H22 | 119.6° | 120.0° |
| C24 | C23 | C28 | 118.8° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.0° |
| C23 | C24 | H24 | 119.7° | 120.0° |
| C23 | C28 | C27 | 120.1° | 120.0° |
| C23 | C28 | H28 | 120.0° | 120.0° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C24 | C25 | C26 | 120.5° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.0° |
| C26 | C25 | H25 | 119.8° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C25 | C26 | H26 | 120.1° | 120.0° |
| C27 | C26 | H26 | 120.0° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C | O | C9 | 178.9° | 179.9° |
| C | N2 | N | C5 | 179.4° | 180.0° |
| C | N2 | N | H | 6.2° | 4.8° |
| C | N2 | N | H2 | 113.8° | 108.9° |
| C | N2 | C5 | C6 | 104.6° | 90.0° |
| C | N2 | C5 | H5C1 | 12.0° | 150.0° |
| C | N2 | C5 | H5C2 | 135.4° | 29.9° |
| N2 | C | C9 | C10 | 131.5° | 176.5° |
| N2 | C | C9 | H9C1 | 16.1° | 56.5° |
| N2 | C | C9 | H9C2 | 108.5° | 63.5° |
| O | C | N2 | N | 179.7° | 178.6° |
| O | C | N2 | C5 | 0.4° | 1.4° |
| O | C | C9 | C10 | 49.6° | 3.6° |
| O | C | C9 | H9C1 | 165.0° | 123.6° |
| O | C | C9 | H9C2 | 70.4° | 116.4° |
| C9 | C | N2 | N | 0.8° | 1.5° |
| C9 | C | N2 | C5 | 178.5° | 178.6° |
| C | C9 | C10 | H9C1 | 115.4° | 120.0° |
| C | C9 | C10 | H9C2 | 120.0° | 120.0° |
| C | C9 | H9C1 | H9C2 | 117.3° | 120.0° |
| C | C9 | C10 | O11 | 77.6° | 56.2° |
| C | C9 | C10 | C12 | 161.0° | 176.1° |
| C | C9 | C10 | H10 | 42.0° | 63.9° |
| N2 | N | H | H2 | 120.0° | 113.8° |
| N | N2 | C5 | C6 | 76.0° | 90.0° |
| N | N2 | C5 | H5C1 | 167.4° | 30.0° |
| N | N2 | C5 | H5C2 | 44.0° | 150.0° |
| C5 | N2 | N | H | 173.3° | 175.2° |
| C5 | N2 | N | H2 | 66.8° | 71.0° |
| N2 | C5 | C6 | H5C1 | 116.6° | 120.0° |
| N2 | C5 | C6 | H5C2 | 120.0° | 120.0° |
| N2 | C5 | H5C1 | H5C2 | 117.9° | 120.0° |
| N2 | C5 | C6 | O7 | 159.8° | 180.0° |
| N2 | C5 | C6 | O8 | 20.6° | 0.0° |
| C6 | C5 | H5C1 | H5C2 | 117.9° | 120.0° |
| C5 | C6 | O7 | O8 | 179.6° | 179.9° |
| C5 | C6 | O7 | H7 | 179.6° | 180.0° |
| H5C1 | C5 | C6 | O7 | 83.6° | 59.9° |
| H5C1 | C5 | C6 | O8 | 96.0° | 120.0° |
| H5C2 | C5 | C6 | O7 | 39.8° | 60.1° |
| H5C2 | C5 | C6 | O8 | 140.6° | 120.0° |
| O8 | C6 | O7 | H7 | 0.0° | 0.1° |
| C10 | C9 | H9C1 | H9C2 | 117.3° | 120.0° |
| C9 | C10 | O11 | C12 | 120.8° | 120.0° |
| C9 | C10 | O11 | H10 | 120.3° | 120.0° |
| C9 | C10 | C12 | H10 | 120.3° | 120.0° |
| C9 | C10 | O11 | H11 | 160.4° | 60.0° |
| C9 | C10 | C12 | N13 | 134.4° | 74.5° |
| C9 | C10 | C12 | O14 | 45.5° | 105.5° |
| H9C1 | C9 | C10 | O11 | 37.8° | 176.1° |
| H9C1 | C9 | C10 | C12 | 83.5° | 63.9° |
| H9C1 | C9 | C10 | H10 | 157.5° | 56.1° |
| H9C2 | C9 | C10 | O11 | 162.4° | 63.8° |
| H9C2 | C9 | C10 | C12 | 41.0° | 56.1° |
| H9C2 | C9 | C10 | H10 | 78.0° | 176.1° |
| O11 | C10 | C12 | H10 | 119.7° | 120.0° |
| O11 | C10 | C12 | N13 | 105.5° | 165.5° |
| O11 | C10 | C12 | O14 | 74.6° | 14.5° |
| C12 | C10 | O11 | H11 | 39.6° | 60.0° |
| C10 | C12 | N13 | O14 | 179.9° | 180.0° |
| C10 | C12 | N13 | C15 | 179.7° | 9.3° |
| C10 | C12 | N13 | C16 | 0.5° | 170.6° |
| H10 | C10 | O11 | H11 | 79.3° | 180.0° |
| H10 | C10 | C12 | N13 | 14.1° | 45.5° |
| H10 | C10 | C12 | O14 | 165.8° | 134.5° |
| C12 | N13 | C15 | C16 | 179.8° | 180.0° |
| C12 | N13 | C15 | C23 | 129.2° | 128.8° |
| C12 | N13 | C15 | H151 | 113.9° | 111.2° |
| C12 | N13 | C15 | H152 | 9.2° | 8.8° |
| C12 | N13 | C16 | C17 | 75.7° | 94.9° |
| C12 | N13 | C16 | H161 | 167.8° | 145.1° |
| C12 | N13 | C16 | H162 | 44.4° | 25.1° |
| O14 | C12 | N13 | C15 | 0.2° | 170.6° |
| O14 | C12 | N13 | C16 | 179.6° | 9.4° |
| N13 | C15 | C23 | H151 | 117.0° | 120.0° |
| N13 | C15 | C23 | H152 | 120.0° | 120.0° |
| N13 | C15 | H151 | H152 | 118.1° | 120.0° |
| C15 | N13 | C16 | C17 | 104.2° | 85.0° |
| C15 | N13 | C16 | H161 | 12.4° | 34.9° |
| C15 | N13 | C16 | H162 | 135.8° | 154.9° |
| N13 | C15 | C23 | C24 | 131.9° | 80.6° |
| N13 | C15 | C23 | C28 | 48.2° | 99.6° |
| C16 | N13 | C15 | C23 | 51.0° | 51.3° |
| C16 | N13 | C15 | H151 | 66.0° | 68.7° |
| C16 | N13 | C15 | H152 | 171.0° | 171.2° |
| N13 | C16 | C17 | H161 | 116.6° | 119.9° |
| N13 | C16 | C17 | H162 | 120.0° | 120.1° |
| N13 | C16 | H161 | H162 | 117.9° | 120.0° |
| N13 | C16 | C17 | C18 | 157.5° | 92.1° |
| N13 | C16 | C17 | C22 | 22.4° | 88.3° |
| C23 | C15 | H151 | H152 | 118.1° | 120.0° |
| C15 | C23 | C24 | C28 | 179.9° | 179.8° |
| C15 | C23 | C24 | C25 | 179.9° | 180.0° |
| C15 | C23 | C24 | H24 | 0.1° | 0.0° |
| C15 | C23 | C28 | C27 | 180.0° | 179.8° |
| C15 | C23 | C28 | H28 | 0.0° | 0.2° |
| H151 | C15 | C23 | C24 | 14.9° | 39.4° |
| H151 | C15 | C23 | C28 | 165.2° | 140.4° |
| H152 | C15 | C23 | C24 | 108.1° | 159.4° |
| H152 | C15 | C23 | C28 | 71.8° | 20.4° |
| C17 | C16 | H161 | H162 | 117.9° | 120.1° |
| C16 | C17 | C18 | C22 | 179.9° | 179.6° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 0.1° | 0.1° |
| C16 | C17 | C22 | C21 | 179.9° | 179.8° |
| C16 | C17 | C22 | H22 | 0.1° | 0.2° |
| H161 | C16 | C17 | C18 | 85.9° | 27.9° |
| H161 | C16 | C17 | C22 | 94.1° | 151.8° |
| H162 | C16 | C17 | C18 | 37.5° | 147.9° |
| H162 | C16 | C17 | C22 | 142.5° | 31.8° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| C18 | C17 | C22 | C21 | 0.0° | 0.5° |
| C18 | C17 | C22 | H22 | 180.0° | 179.9° |
| C22 | C17 | C18 | C19 | 0.0° | 0.3° |
| C22 | C17 | C18 | H18 | 180.0° | 179.7° |
| C17 | C22 | C21 | C20 | 0.1° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.6° |
| C17 | C22 | C21 | H21 | 179.9° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| H18 | C18 | C19 | C20 | 180.0° | 180.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H21 | 179.9° | 179.9° |
| H19 | C19 | C20 | C21 | 180.0° | 180.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H20 | C20 | C21 | C22 | 180.0° | 179.8° |
| H20 | C20 | C21 | H21 | 0.0° | 0.1° |
| H21 | C21 | C22 | H22 | 0.1° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| C24 | C23 | C28 | C27 | 0.1° | 0.4° |
| C24 | C23 | C28 | H28 | 179.9° | 180.0° |
| C28 | C23 | C24 | C25 | 0.0° | 0.2° |
| C28 | C23 | C24 | H24 | 180.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.2° | 0.4° |
| C23 | C28 | C27 | H28 | 180.0° | 179.6° |
| C23 | C28 | C27 | H27 | 179.8° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H26 | 179.9° | 179.9° |
| H24 | C24 | C25 | C26 | 179.9° | 180.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 179.9° | 179.9° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| H26 | C26 | C27 | C28 | 179.9° | 179.9° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| H27 | C27 | C28 | H28 | 0.2° | 0.2° |
