AYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.39Å | 1.41Å | |
| N01 | H011 | sing | 0.97Å | 1.02Å | |
| N01 | H012 | sing | 0.97Å | 1.02Å | |
| C02 | N03 | doub | 1.33Å | 1.47Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.45Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.44Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.10Å | |
| C05 | C06 | sing | 1.41Å | 1.53Å | Aromatic |
| C05 | C08 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | doub | 1.37Å | 1.43Å | Aromatic |
| C06 | H06 | sing | 1.08Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.10Å | |
| C08 | C09 | doub | 1.35Å | 1.41Å | |
| C08 | H08 | sing | 1.08Å | 1.10Å | |
| C09 | C10 | sing | 1.46Å | 1.50Å | |
| C09 | H09 | sing | 1.08Å | 1.10Å | |
| C10 | O11 | doub | 1.22Å | 1.23Å | |
| C10 | N12 | sing | 1.35Å | 1.43Å | |
| N12 | C13 | sing | 1.46Å | 1.45Å | |
| N12 | C14 | sing | 1.47Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | doub | 1.34Å | 1.43Å | Aromatic |
| C15 | N19 | sing | 1.37Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.46Å | 1.43Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.41Å | 1.44Å | Aromatic |
| C17 | C21 | sing | 1.40Å | 1.46Å | Aromatic |
| C18 | N19 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| N19 | C20 | sing | 1.46Å | 1.49Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | doub | 1.37Å | 1.43Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.39Å | 1.44Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | H011 | 123.1° | 120.0° |
| C02 | N01 | H012 | 107.3° | 120.0° |
| N01 | C02 | N03 | 123.1° | 119.5° |
| N01 | C02 | C07 | 117.1° | 119.5° |
| H011 | N01 | H012 | 107.4° | 120.0° |
| N03 | C02 | C07 | 119.8° | 121.0° |
| C02 | N03 | C04 | 120.8° | 121.7° |
| C02 | C07 | C06 | 119.6° | 119.4° |
| C02 | C07 | H07 | 121.1° | 120.3° |
| N03 | C04 | C05 | 120.8° | 120.5° |
| N03 | C04 | H04 | 120.8° | 119.8° |
| C05 | C04 | H04 | 118.4° | 119.7° |
| C04 | C05 | C06 | 118.8° | 119.0° |
| C04 | C05 | C08 | 120.3° | 120.5° |
| C06 | C05 | C08 | 120.9° | 120.5° |
| C05 | C06 | C07 | 120.3° | 118.5° |
| C05 | C06 | H06 | 123.4° | 120.8° |
| C05 | C08 | C09 | 123.0° | 120.0° |
| C05 | C08 | H08 | 121.4° | 120.0° |
| C07 | C06 | H06 | 116.3° | 120.8° |
| C06 | C07 | H07 | 119.2° | 120.3° |
| C09 | C08 | H08 | 115.6° | 120.0° |
| C08 | C09 | C10 | 119.2° | 120.0° |
| C08 | C09 | H09 | 117.4° | 120.0° |
| C10 | C09 | H09 | 123.4° | 120.0° |
| C09 | C10 | O11 | 114.5° | 119.9° |
| C09 | C10 | N12 | 124.7° | 120.0° |
| O11 | C10 | N12 | 120.8° | 120.0° |
| C10 | N12 | C13 | 118.6° | 120.0° |
| C10 | N12 | C14 | 126.3° | 120.0° |
| C13 | N12 | C14 | 115.0° | 120.0° |
| N12 | C13 | H131 | 118.7° | 109.4° |
| N12 | C13 | H132 | 108.9° | 109.5° |
| N12 | C13 | H133 | 108.9° | 109.5° |
| N12 | C14 | C15 | 109.9° | 109.5° |
| N12 | C14 | H141 | 112.0° | 109.5° |
| N12 | C14 | H142 | 112.0° | 109.4° |
| H131 | C13 | H132 | 108.9° | 109.5° |
| H131 | C13 | H133 | 108.9° | 109.4° |
| H132 | C13 | H133 | 101.1° | 109.4° |
| C15 | C14 | H141 | 112.1° | 109.5° |
| C15 | C14 | H142 | 112.1° | 109.5° |
| C14 | C15 | C16 | 124.8° | 125.0° |
| C14 | C15 | N19 | 122.9° | 125.0° |
| H141 | C14 | H142 | 98.4° | 109.5° |
| C16 | C15 | N19 | 112.2° | 110.0° |
| C15 | C16 | C17 | 104.1° | 106.9° |
| C15 | C16 | H16 | 128.0° | 126.5° |
| C15 | N19 | C18 | 105.6° | 109.9° |
| C15 | N19 | C20 | 128.3° | 125.1° |
| C17 | C16 | H16 | 127.9° | 126.5° |
| C16 | C17 | C18 | 109.5° | 106.1° |
| C16 | C17 | C21 | 135.3° | 134.0° |
| C18 | C17 | C21 | 115.3° | 119.9° |
| C17 | C18 | N19 | 108.6° | 107.2° |
| C17 | C18 | C24 | 125.3° | 119.3° |
| C17 | C21 | C22 | 121.0° | 119.8° |
| C17 | C21 | H21 | 120.8° | 120.1° |
| N19 | C18 | C24 | 126.1° | 133.5° |
| C18 | N19 | C20 | 126.1° | 125.1° |
| C18 | C24 | C23 | 117.2° | 119.7° |
| C18 | C24 | H24 | 121.3° | 120.1° |
| N19 | C20 | H201 | 128.2° | 109.4° |
| N19 | C20 | H202 | 105.6° | 109.5° |
| N19 | C20 | H203 | 105.6° | 109.5° |
| H201 | C20 | H202 | 105.6° | 109.5° |
| H201 | C20 | H203 | 105.6° | 109.5° |
| H202 | C20 | H203 | 103.7° | 109.4° |
| C22 | C21 | H21 | 118.2° | 120.1° |
| C21 | C22 | C23 | 120.5° | 120.5° |
| C21 | C22 | H22 | 119.2° | 119.8° |
| C23 | C22 | H22 | 120.3° | 119.7° |
| C22 | C23 | C24 | 120.8° | 120.7° |
| C22 | C23 | H23 | 120.1° | 119.7° |
| C24 | C23 | H23 | 119.1° | 119.6° |
| C23 | C24 | H24 | 121.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N01 | H011 | H012 | 125.2° | 179.9° |
| N01 | C02 | N03 | C07 | 179.9° | 179.8° |
| N01 | C02 | N03 | C04 | 179.8° | 179.7° |
| N01 | C02 | C07 | C06 | 179.8° | 180.0° |
| N01 | C02 | C07 | H07 | 0.2° | 0.2° |
| H011 | N01 | C02 | N03 | 180.0° | 0.1° |
| H011 | N01 | C02 | C07 | 0.1° | 180.0° |
| H012 | N01 | C02 | N03 | 54.7° | 179.9° |
| H012 | N01 | C02 | C07 | 125.2° | 0.1° |
| C02 | N03 | C04 | C05 | 0.0° | 0.4° |
| C02 | N03 | C04 | H04 | 179.9° | 180.0° |
| N03 | C02 | C07 | C06 | 0.2° | 0.2° |
| N03 | C02 | C07 | H07 | 179.9° | 180.0° |
| C07 | C02 | N03 | C04 | 0.2° | 0.1° |
| C02 | C07 | C06 | C05 | 0.0° | 0.1° |
| C02 | C07 | C06 | H07 | 180.0° | 179.8° |
| C02 | C07 | C06 | H06 | 180.0° | 179.9° |
| N03 | C04 | C05 | H04 | 180.0° | 179.5° |
| N03 | C04 | C05 | C06 | 0.1° | 0.5° |
| N03 | C04 | C05 | C08 | 179.5° | 179.8° |
| C04 | C05 | C06 | C08 | 179.6° | 179.7° |
| C04 | C05 | C06 | C07 | 0.1° | 0.2° |
| C04 | C05 | C06 | H06 | 179.9° | 179.7° |
| C04 | C05 | C08 | C09 | 135.7° | 0.3° |
| C04 | C05 | C08 | H08 | 44.3° | 179.7° |
| H04 | C04 | C05 | C06 | 179.9° | 180.0° |
| H04 | C04 | C05 | C08 | 0.5° | 0.3° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | H07 | 180.0° | 179.9° |
| C06 | C05 | C08 | C09 | 44.7° | 180.0° |
| C06 | C05 | C08 | H08 | 135.3° | 0.0° |
| C08 | C05 | C06 | C07 | 179.5° | 179.9° |
| C08 | C05 | C06 | H06 | 0.5° | 0.1° |
| C05 | C08 | C09 | H08 | 180.0° | 180.0° |
| C05 | C08 | C09 | C10 | 179.1° | 180.0° |
| C05 | C08 | C09 | H09 | 0.8° | 0.0° |
| H06 | C06 | C07 | H07 | 0.0° | 0.1° |
| C08 | C09 | C10 | H09 | 180.0° | 179.9° |
| C08 | C09 | C10 | O11 | 46.9° | 4.6° |
| C08 | C09 | C10 | N12 | 133.0° | 175.4° |
| H08 | C08 | C09 | C10 | 0.9° | 0.0° |
| H08 | C08 | C09 | H09 | 179.2° | 180.0° |
| C09 | C10 | O11 | N12 | 179.9° | 180.0° |
| C09 | C10 | N12 | C13 | 179.7° | 176.5° |
| C09 | C10 | N12 | C14 | 0.1° | 3.4° |
| H09 | C09 | C10 | O11 | 133.1° | 175.3° |
| H09 | C09 | C10 | N12 | 47.0° | 4.7° |
| O11 | C10 | N12 | C13 | 0.3° | 3.5° |
| O11 | C10 | N12 | C14 | 179.9° | 176.6° |
| C10 | N12 | C13 | C14 | 179.7° | 180.0° |
| C10 | N12 | C13 | H131 | 180.0° | 5.6° |
| C10 | N12 | C13 | H132 | 54.7° | 114.5° |
| C10 | N12 | C13 | H133 | 54.7° | 125.5° |
| C10 | N12 | C14 | C15 | 98.1° | 90.0° |
| C10 | N12 | C14 | H141 | 136.7° | 30.0° |
| C10 | N12 | C14 | H142 | 27.2° | 150.0° |
| N12 | C13 | H131 | H132 | 125.2° | 120.1° |
| N12 | C13 | H131 | H133 | 125.3° | 120.0° |
| N12 | C13 | H132 | H133 | 114.6° | 120.0° |
| C13 | N12 | C14 | C15 | 81.6° | 90.0° |
| C13 | N12 | C14 | H141 | 43.7° | 150.0° |
| C13 | N12 | C14 | H142 | 153.2° | 30.0° |
| C14 | N12 | C13 | H131 | 0.3° | 174.5° |
| C14 | N12 | C13 | H132 | 124.9° | 65.4° |
| C14 | N12 | C13 | H133 | 125.6° | 54.6° |
| N12 | C14 | C15 | H141 | 125.2° | 120.0° |
| N12 | C14 | C15 | H142 | 125.2° | 120.0° |
| N12 | C14 | H141 | H142 | 117.9° | 120.0° |
| N12 | C14 | C15 | C16 | 85.1° | 90.0° |
| N12 | C14 | C15 | N19 | 94.9° | 90.2° |
| H131 | C13 | H132 | H133 | 114.6° | 119.9° |
| C15 | C14 | H141 | H142 | 118.0° | 120.0° |
| C14 | C15 | C16 | N19 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 179.8° | 180.0° |
| C14 | C15 | C16 | H16 | 0.1° | 0.1° |
| C14 | C15 | N19 | C18 | 179.9° | 179.8° |
| C14 | C15 | N19 | C20 | 0.2° | 0.1° |
| H141 | C14 | C15 | C16 | 149.6° | 30.1° |
| H141 | C14 | C15 | N19 | 30.3° | 149.7° |
| H142 | C14 | C15 | C16 | 40.1° | 150.1° |
| H142 | C14 | C15 | N19 | 139.9° | 29.7° |
| C15 | C16 | C17 | H16 | 179.9° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C15 | C16 | C17 | C21 | 179.8° | 179.9° |
| C16 | C15 | N19 | C18 | 0.1° | 0.4° |
| C16 | C15 | N19 | C20 | 179.8° | 179.7° |
| N19 | C15 | C16 | C17 | 0.2° | 0.2° |
| N19 | C15 | C16 | H16 | 179.9° | 179.8° |
| C15 | N19 | C18 | C17 | 0.0° | 0.5° |
| C15 | N19 | C18 | C20 | 179.9° | 179.9° |
| C15 | N19 | C18 | C24 | 179.7° | 180.0° |
| C15 | N19 | C20 | H201 | 180.0° | 90.2° |
| C15 | N19 | C20 | H202 | 54.8° | 29.9° |
| C15 | N19 | C20 | H203 | 54.8° | 149.8° |
| C16 | C17 | C18 | C21 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.1° | 0.3° |
| C16 | C17 | C18 | C24 | 179.8° | 180.0° |
| C16 | C17 | C21 | C22 | 180.0° | 180.0° |
| C16 | C17 | C21 | H21 | 0.0° | 0.0° |
| H16 | C16 | C17 | C18 | 179.9° | 180.0° |
| H16 | C16 | C17 | C21 | 0.1° | 0.0° |
| C17 | C18 | N19 | C24 | 179.7° | 179.6° |
| C17 | C18 | N19 | C20 | 179.9° | 179.7° |
| C18 | C17 | C21 | C22 | 0.0° | 0.0° |
| C18 | C17 | C21 | H21 | 180.0° | 180.0° |
| C17 | C18 | C24 | C23 | 0.2° | 0.1° |
| C17 | C18 | C24 | H24 | 179.8° | 180.0° |
| C21 | C17 | C18 | N19 | 179.9° | 179.7° |
| C21 | C17 | C18 | C24 | 0.2° | 0.0° |
| C17 | C21 | C22 | H21 | 180.0° | 180.0° |
| C17 | C21 | C22 | C23 | 0.1° | 0.0° |
| C17 | C21 | C22 | H22 | 179.9° | 180.0° |
| C18 | N19 | C20 | H201 | 0.1° | 90.0° |
| C18 | N19 | C20 | H202 | 125.3° | 150.0° |
| C18 | N19 | C20 | H203 | 125.2° | 30.0° |
| N19 | C18 | C24 | C23 | 179.9° | 179.6° |
| N19 | C18 | C24 | H24 | 0.1° | 0.5° |
| C24 | C18 | N19 | C20 | 0.3° | 0.1° |
| C18 | C24 | C23 | C22 | 0.0° | 0.0° |
| C18 | C24 | C23 | H24 | 180.0° | 179.9° |
| C18 | C24 | C23 | H23 | 180.0° | 180.0° |
| N19 | C20 | H201 | H202 | 125.2° | 120.0° |
| N19 | C20 | H201 | H203 | 125.3° | 120.0° |
| N19 | C20 | H202 | H203 | 110.9° | 120.0° |
| H201 | C20 | H202 | H203 | 110.9° | 120.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| H21 | C21 | C22 | C23 | 179.8° | 180.0° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | H24 | 179.9° | 179.9° |
| H22 | C22 | C23 | C24 | 179.9° | 180.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.1° |
