A1MCM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N20 | sing | 1.47Å | 1.45Å | |
| C25 | N20 | sing | 1.47Å | 1.48Å | |
| N20 | C7 | sing | 1.35Å | 1.36Å | |
| C21 | C3 | sing | 1.51Å | 1.50Å | |
| O15 | C7 | doub | 1.22Å | 1.24Å | |
| C7 | C1 | sing | 1.42Å | 1.54Å | |
| C1 | C3 | doub | 1.35Å | 1.37Å | |
| C3 | N5 | sing | 1.37Å | 1.38Å | |
| C1 | C2 | sing | 1.52Å | 1.47Å | |
| N5 | C4 | sing | 1.34Å | 1.35Å | |
| C2 | C8 | sing | 1.51Å | 1.55Å | |
| N6 | C2 | sing | 1.47Å | 1.47Å | |
| C4 | N6 | sing | 1.35Å | 1.35Å | |
| O12 | C4 | doub | 1.22Å | 1.20Å | |
| C8 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | O13 | sing | 1.43Å | 1.44Å | |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | CL19 | sing | 1.74Å | 1.76Å | |
| O13 | C11 | sing | 1.36Å | 1.35Å | |
| C23 | C17 | sing | 1.53Å | 1.55Å | |
| C24 | C17 | sing | 1.53Å | 1.56Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.08Å | 1.08Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N20 | C25 | 120.3° | 120.0° |
| C26 | N20 | C7 | 116.5° | 120.0° |
| N20 | C26 | H50 | 109.5° | 109.4° |
| N20 | C26 | H51 | 109.5° | 109.5° |
| N20 | C26 | H52 | 109.5° | 109.5° |
| C25 | N20 | C7 | 123.2° | 120.0° |
| N20 | C25 | H47 | 109.5° | 109.4° |
| N20 | C25 | H48 | 109.5° | 109.4° |
| N20 | C25 | H49 | 109.5° | 109.5° |
| N20 | C7 | O15 | 114.8° | 120.0° |
| N20 | C7 | C1 | 126.2° | 120.0° |
| C21 | C3 | C1 | 131.2° | 119.4° |
| C21 | C3 | N5 | 108.7° | 119.5° |
| C3 | C21 | H35 | 109.5° | 109.4° |
| C3 | C21 | H36 | 109.5° | 109.5° |
| C3 | C21 | H37 | 109.5° | 109.5° |
| O15 | C7 | C1 | 118.5° | 120.0° |
| C7 | C1 | C3 | 124.8° | 121.1° |
| C7 | C1 | C2 | 115.3° | 121.2° |
| C1 | C3 | N5 | 120.1° | 121.1° |
| C3 | C1 | C2 | 119.8° | 117.7° |
| C3 | N5 | C4 | 125.1° | 123.6° |
| C3 | N5 | H28 | 117.4° | 118.1° |
| C1 | C2 | C8 | 105.4° | 108.0° |
| C1 | C2 | N6 | 114.0° | 116.9° |
| C1 | C2 | H27 | 111.0° | 107.9° |
| N5 | C4 | N6 | 116.3° | 122.2° |
| N5 | C4 | O12 | 120.7° | 118.9° |
| C4 | N5 | H28 | 117.5° | 118.2° |
| C8 | C2 | N6 | 105.5° | 108.0° |
| C2 | C8 | C14 | 119.7° | 120.0° |
| C2 | C8 | C9 | 124.3° | 119.9° |
| C8 | C2 | H27 | 109.7° | 107.8° |
| C2 | N6 | C4 | 124.4° | 118.4° |
| N6 | C2 | H27 | 110.9° | 107.9° |
| C2 | N6 | H29 | 117.8° | 120.8° |
| N6 | C4 | O12 | 122.9° | 118.9° |
| C4 | N6 | H29 | 117.8° | 120.8° |
| C14 | C8 | C9 | 115.9° | 120.1° |
| C8 | C14 | C16 | 123.0° | 120.1° |
| C8 | C14 | H31 | 118.5° | 119.9° |
| C8 | C9 | C10 | 123.0° | 120.0° |
| C8 | C9 | H30 | 118.5° | 120.0° |
| C14 | C16 | C11 | 117.7° | 120.0° |
| C16 | C14 | H31 | 118.5° | 120.0° |
| C14 | C16 | H32 | 121.1° | 120.1° |
| C9 | C10 | C11 | 117.3° | 119.9° |
| C9 | C10 | CL19 | 123.8° | 120.0° |
| C10 | C9 | H30 | 118.5° | 120.0° |
| C22 | C17 | C18 | 108.2° | 109.5° |
| C22 | C17 | C23 | 108.4° | 109.4° |
| C22 | C17 | C24 | 110.5° | 109.4° |
| C17 | C22 | H38 | 109.5° | 109.5° |
| C17 | C22 | H39 | 109.5° | 109.5° |
| C17 | C22 | H40 | 109.5° | 109.5° |
| C16 | C11 | C10 | 122.2° | 119.9° |
| C16 | C11 | O13 | 121.1° | 120.1° |
| C11 | C16 | H32 | 121.2° | 120.0° |
| C17 | C18 | O13 | 99.7° | 109.5° |
| C18 | C17 | C23 | 116.5° | 109.5° |
| C18 | C17 | C24 | 105.0° | 109.5° |
| C17 | C18 | H33 | 111.8° | 109.4° |
| C17 | C18 | H34 | 111.9° | 109.5° |
| C18 | O13 | C11 | 115.4° | 117.0° |
| O13 | C18 | H33 | 111.9° | 109.5° |
| O13 | C18 | H34 | 111.8° | 109.5° |
| C11 | C10 | CL19 | 118.8° | 120.0° |
| C10 | C11 | O13 | 116.5° | 120.0° |
| C23 | C17 | C24 | 108.2° | 109.5° |
| C17 | C23 | H41 | 109.5° | 109.5° |
| C17 | C23 | H42 | 109.4° | 109.4° |
| C17 | C23 | H43 | 109.5° | 109.4° |
| C17 | C24 | H44 | 109.5° | 109.4° |
| C17 | C24 | H45 | 109.5° | 109.5° |
| C17 | C24 | H46 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.5° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| H44 | C24 | H46 | 109.4° | 109.5° |
| H45 | C24 | H46 | 109.5° | 109.5° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| H41 | C23 | H43 | 109.5° | 109.5° |
| H42 | C23 | H43 | 109.5° | 109.5° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| H38 | C22 | H40 | 109.4° | 109.4° |
| H39 | C22 | H40 | 109.5° | 109.5° |
| H35 | C21 | H36 | 109.5° | 109.4° |
| H35 | C21 | H37 | 109.4° | 109.5° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| H50 | C26 | H51 | 109.5° | 109.4° |
| H50 | C26 | H52 | 109.4° | 109.5° |
| H51 | C26 | H52 | 109.5° | 109.5° |
| H47 | C25 | H48 | 109.4° | 109.5° |
| H47 | C25 | H49 | 109.5° | 109.5° |
| H48 | C25 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N20 | C25 | C7 | 179.5° | 180.0° |
| C26 | N20 | C7 | O15 | 5.7° | 4.8° |
| C26 | N20 | C7 | C1 | 165.6° | 175.2° |
| N20 | C26 | H50 | H51 | 120.0° | 120.0° |
| N20 | C26 | H50 | H52 | 120.0° | 120.0° |
| N20 | C26 | H51 | H52 | 120.0° | 120.0° |
| C26 | N20 | C25 | H47 | 180.0° | 174.8° |
| C26 | N20 | C25 | H48 | 60.0° | 54.9° |
| C26 | N20 | C25 | H49 | 60.0° | 65.1° |
| C25 | N20 | C7 | O15 | 174.8° | 175.2° |
| C25 | N20 | C7 | C1 | 13.9° | 4.9° |
| C25 | N20 | C26 | H50 | 180.0° | 90.0° |
| C25 | N20 | C26 | H51 | 60.0° | 30.0° |
| C25 | N20 | C26 | H52 | 60.0° | 150.0° |
| N20 | C25 | H47 | H48 | 120.0° | 119.9° |
| N20 | C25 | H47 | H49 | 120.0° | 120.0° |
| N20 | C25 | H48 | H49 | 120.0° | 120.0° |
| N20 | C7 | O15 | C1 | 172.1° | 179.9° |
| N20 | C7 | C1 | C3 | 57.6° | 83.3° |
| N20 | C7 | C1 | C2 | 126.9° | 96.5° |
| C7 | N20 | C26 | H50 | 0.5° | 90.0° |
| C7 | N20 | C26 | H51 | 120.5° | 150.1° |
| C7 | N20 | C26 | H52 | 119.5° | 30.0° |
| C7 | N20 | C25 | H47 | 0.5° | 5.2° |
| C7 | N20 | C25 | H48 | 119.5° | 125.1° |
| C7 | N20 | C25 | H49 | 120.5° | 114.8° |
| C21 | C3 | C1 | C7 | 2.6° | 0.2° |
| C21 | C3 | C1 | N5 | 178.8° | 179.9° |
| C21 | C3 | C1 | C2 | 177.9° | 180.0° |
| C21 | C3 | N5 | C4 | 176.5° | 180.0° |
| C21 | C3 | N5 | H28 | 3.5° | 0.1° |
| C3 | C21 | H35 | H36 | 120.0° | 119.9° |
| C3 | C21 | H35 | H37 | 120.0° | 120.0° |
| C3 | C21 | H36 | H37 | 120.0° | 120.1° |
| O15 | C7 | C1 | C3 | 113.4° | 96.8° |
| O15 | C7 | C1 | C2 | 62.0° | 83.4° |
| C7 | C1 | C3 | C2 | 175.3° | 179.8° |
| C7 | C1 | C3 | N5 | 176.2° | 179.7° |
| C7 | C1 | C2 | C8 | 72.3° | 58.3° |
| C7 | C1 | C2 | N6 | 172.5° | 179.7° |
| C7 | C1 | C2 | H27 | 46.4° | 57.9° |
| C1 | C3 | N5 | C4 | 2.6° | 0.1° |
| C3 | C1 | C2 | C8 | 112.0° | 121.9° |
| C3 | C1 | C2 | N6 | 3.2° | 0.1° |
| C3 | C1 | C2 | H27 | 129.3° | 121.9° |
| C1 | C3 | N5 | H28 | 177.4° | 180.0° |
| C1 | C3 | C21 | H35 | 180.0° | 94.7° |
| C1 | C3 | C21 | H36 | 60.0° | 145.3° |
| C1 | C3 | C21 | H37 | 60.0° | 25.3° |
| N5 | C3 | C1 | C2 | 0.9° | 0.1° |
| C3 | N5 | C4 | H28 | 180.0° | 179.9° |
| C3 | N5 | C4 | N6 | 0.6° | 0.1° |
| C3 | N5 | C4 | O12 | 178.6° | 180.0° |
| N5 | C3 | C21 | H35 | 1.1° | 85.4° |
| N5 | C3 | C21 | H36 | 118.9° | 34.5° |
| N5 | C3 | C21 | H37 | 121.0° | 154.6° |
| C1 | C2 | C8 | N6 | 120.9° | 127.3° |
| C1 | C2 | C8 | H27 | 119.6° | 116.3° |
| C1 | C2 | N6 | H27 | 126.1° | 121.8° |
| C1 | C2 | N6 | C4 | 6.6° | 0.1° |
| C1 | C2 | C8 | C14 | 134.8° | 105.5° |
| C1 | C2 | C8 | C9 | 49.1° | 74.2° |
| C1 | C2 | N6 | H29 | 173.4° | 180.0° |
| N5 | C4 | N6 | C2 | 5.4° | 0.1° |
| N5 | C4 | N6 | O12 | 178.0° | 179.9° |
| N5 | C4 | N6 | H29 | 174.6° | 180.0° |
| C8 | C2 | N6 | H27 | 118.7° | 116.3° |
| C8 | C2 | N6 | C4 | 108.5° | 121.9° |
| C2 | C8 | C14 | C9 | 176.5° | 179.7° |
| C2 | C8 | C14 | C16 | 177.0° | 179.8° |
| C2 | C8 | C9 | C10 | 176.3° | 179.9° |
| C2 | C8 | C9 | H30 | 3.7° | 0.0° |
| C2 | C8 | C14 | H31 | 3.0° | 0.1° |
| C8 | C2 | N6 | H29 | 71.5° | 58.0° |
| C2 | N6 | C4 | H29 | 180.0° | 179.9° |
| C2 | N6 | C4 | O12 | 176.6° | 180.0° |
| N6 | C2 | C8 | C14 | 104.4° | 127.1° |
| N6 | C2 | C8 | C9 | 71.8° | 53.2° |
| C4 | N6 | C2 | H27 | 132.8° | 121.9° |
| N6 | C4 | N5 | H28 | 179.5° | 180.0° |
| O12 | C4 | N6 | H29 | 3.4° | 0.1° |
| O12 | C4 | N5 | H28 | 1.4° | 0.1° |
| C8 | C14 | C16 | H31 | 180.0° | 179.8° |
| C14 | C8 | C9 | C10 | 7.4° | 0.2° |
| C8 | C14 | C16 | C11 | 7.2° | 0.5° |
| C14 | C8 | C2 | H27 | 15.2° | 10.8° |
| C14 | C8 | C9 | H30 | 172.6° | 179.7° |
| C8 | C14 | C16 | H32 | 172.8° | 180.0° |
| C9 | C8 | C14 | C16 | 0.5° | 0.5° |
| C8 | C9 | C10 | H30 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 6.3° | 0.0° |
| C8 | C9 | C10 | CL19 | 177.3° | 180.0° |
| C9 | C8 | C2 | H27 | 168.6° | 169.5° |
| C9 | C8 | C14 | H31 | 179.5° | 179.7° |
| C14 | C16 | C11 | H32 | 180.0° | 179.4° |
| C14 | C16 | C11 | C10 | 8.4° | 0.3° |
| C14 | C16 | C11 | O13 | 176.0° | 179.7° |
| C9 | C10 | C11 | C16 | 2.0° | 0.0° |
| C9 | C10 | C11 | CL19 | 176.6° | 179.9° |
| C9 | C10 | C11 | O13 | 177.8° | 180.0° |
| C22 | C17 | C18 | C23 | 122.4° | 120.0° |
| C22 | C17 | C18 | C24 | 118.0° | 120.0° |
| C22 | C17 | C18 | O13 | 62.5° | 60.0° |
| C22 | C17 | C23 | C24 | 119.8° | 120.0° |
| C22 | C17 | C18 | H33 | 55.9° | 180.0° |
| C22 | C17 | C18 | H34 | 179.1° | 60.0° |
| C22 | C17 | C24 | H44 | 180.0° | 180.0° |
| C22 | C17 | C24 | H45 | 60.0° | 60.0° |
| C22 | C17 | C24 | H46 | 60.0° | 60.0° |
| C22 | C17 | C23 | H41 | 180.0° | 60.0° |
| C22 | C17 | C23 | H42 | 60.0° | 60.0° |
| C22 | C17 | C23 | H43 | 60.0° | 180.0° |
| C17 | C22 | H38 | H39 | 120.0° | 120.1° |
| C17 | C22 | H38 | H40 | 120.0° | 120.0° |
| C17 | C22 | H39 | H40 | 120.0° | 120.0° |
| C16 | C11 | O13 | C18 | 11.9° | 0.0° |
| C16 | C11 | C10 | O13 | 175.8° | 180.0° |
| C16 | C11 | C10 | CL19 | 174.6° | 179.9° |
| C11 | C16 | C14 | H31 | 172.9° | 179.6° |
| C17 | C18 | O13 | H33 | 118.4° | 119.9° |
| C17 | C18 | O13 | H34 | 118.4° | 120.0° |
| C17 | C18 | O13 | C11 | 163.1° | 180.0° |
| C18 | C17 | C23 | C24 | 117.9° | 120.1° |
| C17 | C18 | H33 | H34 | 124.5° | 120.0° |
| C18 | C17 | C24 | H44 | 63.5° | 60.1° |
| C18 | C17 | C24 | H45 | 176.5° | 180.0° |
| C18 | C17 | C24 | H46 | 56.4° | 59.9° |
| C18 | C17 | C23 | H41 | 57.7° | 60.0° |
| C18 | C17 | C23 | H42 | 62.3° | 180.0° |
| C18 | C17 | C23 | H43 | 177.7° | 60.1° |
| C18 | C17 | C22 | H38 | 180.0° | 60.0° |
| C18 | C17 | C22 | H39 | 60.0° | 180.0° |
| C18 | C17 | C22 | H40 | 60.0° | 60.0° |
| C18 | O13 | C11 | C10 | 172.3° | 180.0° |
| O13 | C18 | C17 | C23 | 175.1° | 180.0° |
| O13 | C18 | C17 | C24 | 55.5° | 59.9° |
| O13 | C18 | H33 | H34 | 124.5° | 120.0° |
| C11 | C10 | C9 | H30 | 173.7° | 180.0° |
| C10 | C11 | C16 | H32 | 171.5° | 179.7° |
| CL19 | C10 | C11 | O13 | 1.2° | 0.0° |
| CL19 | C10 | C9 | H30 | 2.7° | 0.1° |
| C11 | O13 | C18 | H33 | 78.5° | 60.0° |
| C11 | O13 | C18 | H34 | 44.7° | 60.0° |
| O13 | C11 | C16 | H32 | 4.0° | 0.3° |
| C23 | C17 | C18 | H33 | 66.5° | 60.1° |
| C23 | C17 | C18 | H34 | 56.7° | 60.0° |
| C23 | C17 | C24 | H44 | 61.5° | 60.0° |
| C23 | C17 | C24 | H45 | 58.5° | 59.9° |
| C23 | C17 | C24 | H46 | 178.6° | 180.0° |
| C17 | C23 | H41 | H42 | 120.0° | 120.0° |
| C17 | C23 | H41 | H43 | 120.0° | 120.0° |
| C17 | C23 | H42 | H43 | 120.0° | 119.9° |
| C23 | C17 | C22 | H38 | 52.8° | 179.9° |
| C23 | C17 | C22 | H39 | 67.2° | 60.0° |
| C23 | C17 | C22 | H40 | 172.8° | 60.0° |
| C24 | C17 | C18 | H33 | 173.9° | 60.0° |
| C24 | C17 | C18 | H34 | 62.9° | 179.9° |
| C17 | C24 | H44 | H45 | 120.0° | 119.9° |
| C17 | C24 | H44 | H46 | 120.0° | 120.0° |
| C17 | C24 | H45 | H46 | 120.0° | 120.0° |
| C24 | C17 | C23 | H41 | 60.2° | 180.0° |
| C24 | C17 | C23 | H42 | 179.8° | 60.0° |
| C24 | C17 | C23 | H43 | 59.8° | 60.0° |
| C24 | C17 | C22 | H38 | 65.5° | 60.0° |
| C24 | C17 | C22 | H39 | 174.4° | 60.0° |
| C24 | C17 | C22 | H40 | 54.4° | 180.0° |
| H27 | C2 | N6 | H29 | 47.3° | 58.2° |
| H31 | C14 | C16 | H32 | 7.2° | 0.2° |
| H44 | C24 | H45 | H46 | 120.0° | 120.1° |
| H41 | C23 | H42 | H43 | 120.0° | 120.1° |
| H38 | C22 | H39 | H40 | 120.0° | 119.9° |
| H35 | C21 | H36 | H37 | 120.0° | 120.0° |
| H50 | C26 | H51 | H52 | 120.0° | 120.0° |
| H47 | C25 | H48 | H49 | 120.0° | 120.0° |
