ALZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | N6 | sing | 1.47Å | 1.48Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| N6 | N7 | sing | 1.37Å | 1.40Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| N7 | C8 | sing | 1.35Å | 1.39Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | O8 | doub | 1.21Å | 1.21Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | N8 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | sing | 1.54Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N8 | C12 | sing | 1.47Å | 1.44Å | |
| N8 | C14 | sing | 1.35Å | 1.33Å | |
| C10 | C11 | sing | 1.55Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.55Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | O14 | doub | 1.22Å | 1.25Å | |
| C14 | O15 | sing | 1.35Å | 1.32Å | |
| O15 | C16 | sing | 1.45Å | 1.39Å | |
| C16 | C17 | sing | 1.51Å | 1.48Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 109.5° | 111.0° |
| C2 | N1 | HN12 | 109.5° | 111.0° |
| N1 | C2 | C3 | 113.1° | 109.5° |
| N1 | C2 | H21A | 108.3° | 109.4° |
| N1 | C2 | H22A | 108.3° | 109.4° |
| HN11 | N1 | HN12 | 109.5° | 111.1° |
| C3 | C2 | H21A | 108.3° | 109.5° |
| C3 | C2 | H22A | 108.3° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.4° |
| C2 | C3 | H31 | 108.4° | 109.4° |
| C2 | C3 | H32 | 108.3° | 109.5° |
| H21A | C2 | H22A | 110.6° | 109.5° |
| C4 | C3 | H31 | 108.3° | 109.5° |
| C4 | C3 | H32 | 108.4° | 109.4° |
| C3 | C4 | C5 | 113.2° | 109.5° |
| C3 | C4 | H41 | 108.2° | 109.5° |
| C3 | C4 | H42 | 108.2° | 109.4° |
| H31 | C3 | H32 | 110.6° | 109.5° |
| C5 | C4 | H41 | 108.3° | 109.5° |
| C5 | C4 | H42 | 108.3° | 109.4° |
| C4 | C5 | N6 | 114.7° | 109.5° |
| C4 | C5 | H51 | 107.8° | 109.5° |
| C4 | C5 | H52 | 107.8° | 109.4° |
| H41 | C4 | H42 | 110.7° | 109.5° |
| N6 | C5 | H51 | 107.8° | 109.5° |
| N6 | C5 | H52 | 107.8° | 109.4° |
| C5 | N6 | N7 | 117.0° | 111.0° |
| C5 | N6 | HN6 | 107.0° | 110.9° |
| H51 | C5 | H52 | 111.1° | 109.5° |
| N7 | N6 | HN6 | 107.0° | 111.0° |
| N6 | N7 | C8 | 123.0° | 120.0° |
| N6 | N7 | HN7 | 118.5° | 120.0° |
| C8 | N7 | HN7 | 118.5° | 120.0° |
| N7 | C8 | O8 | 123.1° | 120.0° |
| N7 | C8 | C9 | 118.5° | 120.0° |
| O8 | C8 | C9 | 118.2° | 120.0° |
| C8 | C9 | N8 | 112.0° | 109.9° |
| C8 | C9 | C10 | 108.6° | 109.9° |
| C8 | C9 | H9 | 107.1° | 109.8° |
| N8 | C9 | C10 | 105.6° | 107.3° |
| N8 | C9 | H9 | 110.1° | 109.9° |
| C9 | N8 | C12 | 113.6° | 108.7° |
| C9 | N8 | C14 | 124.8° | 125.7° |
| C10 | C9 | H9 | 113.4° | 110.1° |
| C9 | C10 | C11 | 106.6° | 103.0° |
| C9 | C10 | H101 | 110.4° | 110.7° |
| C9 | C10 | H102 | 110.4° | 110.8° |
| C12 | N8 | C14 | 118.2° | 125.6° |
| N8 | C12 | C11 | 106.0° | 104.8° |
| N8 | C12 | H121 | 110.7° | 110.4° |
| N8 | C12 | H122 | 110.7° | 110.3° |
| N8 | C14 | O14 | 122.7° | 120.0° |
| N8 | C14 | O15 | 115.2° | 120.0° |
| C11 | C10 | H101 | 110.4° | 110.7° |
| C11 | C10 | H102 | 110.4° | 110.7° |
| C10 | C11 | C12 | 108.3° | 101.6° |
| C10 | C11 | H111 | 109.9° | 111.1° |
| C10 | C11 | H112 | 109.9° | 111.0° |
| H101 | C10 | H102 | 108.5° | 110.7° |
| C12 | C11 | H111 | 109.9° | 111.0° |
| C12 | C11 | H112 | 109.9° | 110.9° |
| C11 | C12 | H121 | 110.7° | 110.4° |
| C11 | C12 | H122 | 110.6° | 110.3° |
| H111 | C11 | H112 | 109.1° | 110.9° |
| H121 | C12 | H122 | 108.2° | 110.4° |
| O14 | C14 | O15 | 121.7° | 120.1° |
| C14 | O15 | C16 | 133.4° | 117.0° |
| O15 | C16 | C17 | 108.2° | 109.5° |
| O15 | C16 | H161 | 109.9° | 109.5° |
| O15 | C16 | H162 | 109.9° | 109.5° |
| C17 | C16 | H161 | 109.9° | 109.5° |
| C17 | C16 | H162 | 109.9° | 109.5° |
| C16 | C17 | C18 | 121.1° | 120.0° |
| C16 | C17 | C22 | 119.6° | 120.0° |
| H161 | C16 | H162 | 109.0° | 109.4° |
| C18 | C17 | C22 | 119.2° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| C17 | C22 | C21 | 120.8° | 120.0° |
| C17 | C22 | H22 | 119.6° | 120.0° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C20 | C19 | H19 | 120.4° | 120.0° |
| C19 | C20 | C21 | 120.7° | 120.0° |
| C19 | C20 | H20 | 119.6° | 120.0° |
| C21 | C20 | H20 | 119.6° | 120.0° |
| C20 | C21 | C22 | 119.0° | 120.0° |
| C20 | C21 | H21 | 120.5° | 120.0° |
| C22 | C21 | H21 | 120.5° | 120.0° |
| C21 | C22 | H22 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 120.0° | 124.0° |
| N1 | C2 | C3 | H21A | 120.0° | 120.0° |
| N1 | C2 | C3 | H22A | 120.0° | 120.0° |
| N1 | C2 | H21A | H22A | 118.5° | 119.9° |
| N1 | C2 | C3 | C4 | 173.5° | 180.0° |
| N1 | C2 | C3 | H31 | 53.5° | 60.0° |
| N1 | C2 | C3 | H32 | 66.5° | 60.1° |
| HN11 | N1 | C2 | C3 | 180.0° | 56.0° |
| HN11 | N1 | C2 | H21A | 60.0° | 176.0° |
| HN11 | N1 | C2 | H22A | 60.0° | 64.0° |
| HN12 | N1 | C2 | C3 | 60.0° | 179.9° |
| HN12 | N1 | C2 | H21A | 60.0° | 59.9° |
| HN12 | N1 | C2 | H22A | 180.0° | 60.0° |
| C3 | C2 | H21A | H22A | 118.5° | 120.1° |
| C2 | C3 | C4 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 118.6° | 120.0° |
| C2 | C3 | C4 | C5 | 147.0° | 179.9° |
| C2 | C3 | C4 | H41 | 27.0° | 60.0° |
| C2 | C3 | C4 | H42 | 93.0° | 60.0° |
| H21A | C2 | C3 | C4 | 66.6° | 60.0° |
| H21A | C2 | C3 | H31 | 173.4° | 180.0° |
| H21A | C2 | C3 | H32 | 53.5° | 59.9° |
| H22A | C2 | C3 | C4 | 53.5° | 60.0° |
| H22A | C2 | C3 | H31 | 66.5° | 60.0° |
| H22A | C2 | C3 | H32 | 173.5° | 180.0° |
| C4 | C3 | H31 | H32 | 118.6° | 120.0° |
| C3 | C4 | C5 | H41 | 120.0° | 120.0° |
| C3 | C4 | C5 | H42 | 120.0° | 119.9° |
| C3 | C4 | H41 | H42 | 118.5° | 120.0° |
| C3 | C4 | C5 | N6 | 161.9° | 180.0° |
| C3 | C4 | C5 | H51 | 78.0° | 60.0° |
| C3 | C4 | C5 | H52 | 41.9° | 60.1° |
| H31 | C3 | C4 | C5 | 93.0° | 60.0° |
| H31 | C3 | C4 | H41 | 147.0° | 179.9° |
| H31 | C3 | C4 | H42 | 27.0° | 59.9° |
| H32 | C3 | C4 | C5 | 27.0° | 60.1° |
| H32 | C3 | C4 | H41 | 93.0° | 60.0° |
| H32 | C3 | C4 | H42 | 147.0° | 180.0° |
| C5 | C4 | H41 | H42 | 118.5° | 120.0° |
| C4 | C5 | N6 | H51 | 120.0° | 120.0° |
| C4 | C5 | N6 | H52 | 120.0° | 119.9° |
| C4 | C5 | H51 | H52 | 117.8° | 120.0° |
| C4 | C5 | N6 | N7 | 145.3° | 180.0° |
| C4 | C5 | N6 | HN6 | 25.4° | 56.0° |
| H41 | C4 | C5 | N6 | 42.0° | 60.0° |
| H41 | C4 | C5 | H51 | 162.0° | 180.0° |
| H41 | C4 | C5 | H52 | 78.1° | 60.0° |
| H42 | C4 | C5 | N6 | 78.1° | 60.1° |
| H42 | C4 | C5 | H51 | 41.9° | 59.9° |
| H42 | C4 | C5 | H52 | 161.9° | NaN° |
| N6 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | N6 | N7 | HN6 | 120.0° | 123.9° |
| C5 | N6 | N7 | C8 | 113.2° | 180.0° |
| C5 | N6 | N7 | HN7 | 66.7° | 0.0° |
| H51 | C5 | N6 | N7 | 94.6° | 60.0° |
| H51 | C5 | N6 | HN6 | 145.4° | 176.0° |
| H52 | C5 | N6 | N7 | 25.3° | 60.0° |
| H52 | C5 | N6 | HN6 | 94.6° | 63.9° |
| N6 | N7 | C8 | HN7 | 180.0° | 180.0° |
| N6 | N7 | C8 | O8 | 17.8° | 0.0° |
| N6 | N7 | C8 | C9 | 167.5° | 180.0° |
| HN6 | N6 | N7 | C8 | 6.7° | 56.1° |
| HN6 | N6 | N7 | HN7 | 173.3° | 123.9° |
| N7 | C8 | O8 | C9 | 174.7° | 180.0° |
| N7 | C8 | C9 | N8 | 137.0° | 161.4° |
| N7 | C8 | C9 | C10 | 106.7° | 80.7° |
| N7 | C8 | C9 | H9 | 16.2° | 40.5° |
| HN7 | N7 | C8 | O8 | 162.2° | 180.0° |
| HN7 | N7 | C8 | C9 | 12.5° | 0.0° |
| O8 | C8 | C9 | N8 | 48.0° | 18.5° |
| O8 | C8 | C9 | C10 | 68.2° | 99.3° |
| O8 | C8 | C9 | H9 | 168.9° | 139.5° |
| C8 | C9 | N8 | C10 | 118.1° | 119.4° |
| C8 | C9 | N8 | H9 | 119.1° | 121.0° |
| C8 | C9 | C10 | H9 | 119.0° | 121.1° |
| C8 | C9 | N8 | C12 | 119.3° | 118.4° |
| C8 | C9 | N8 | C14 | 39.2° | 61.7° |
| C8 | C9 | C10 | C11 | 121.5° | 141.6° |
| C8 | C9 | C10 | H101 | 1.5° | 23.2° |
| C8 | C9 | C10 | H102 | 118.5° | 100.0° |
| N8 | C9 | C10 | H9 | 120.7° | 119.5° |
| C9 | N8 | C12 | C14 | 160.1° | 179.9° |
| N8 | C9 | C10 | C11 | 1.2° | 22.2° |
| N8 | C9 | C10 | H101 | 118.8° | 96.2° |
| N8 | C9 | C10 | H102 | 121.1° | 140.6° |
| C9 | N8 | C12 | C11 | 0.8° | 24.1° |
| C9 | N8 | C12 | H121 | 119.2° | 142.9° |
| C9 | N8 | C12 | H122 | 120.8° | 94.7° |
| C9 | N8 | C14 | O14 | 4.1° | 0.0° |
| C9 | N8 | C14 | O15 | 168.5° | 180.0° |
| C10 | C9 | N8 | C12 | 1.3° | 1.1° |
| C10 | C9 | N8 | C14 | 157.3° | 178.9° |
| C9 | C10 | C11 | H101 | 120.0° | 118.4° |
| C9 | C10 | C11 | H102 | 120.0° | 118.4° |
| C9 | C10 | H101 | H102 | 121.2° | 123.3° |
| C9 | C10 | C11 | C12 | 0.7° | 35.5° |
| C9 | C10 | C11 | H111 | 120.7° | 153.6° |
| C9 | C10 | C11 | H112 | 119.3° | 82.5° |
| H9 | C9 | N8 | C12 | 121.5° | 120.7° |
| H9 | C9 | N8 | C14 | 79.9° | 59.3° |
| H9 | C9 | C10 | C11 | 119.5° | 97.3° |
| H9 | C9 | C10 | H101 | 120.5° | 144.3° |
| H9 | C9 | C10 | H102 | 0.5° | 21.1° |
| N8 | C12 | C11 | C10 | 0.0° | 37.0° |
| N8 | C12 | C11 | H121 | 120.0° | 118.9° |
| N8 | C12 | C11 | H122 | 120.0° | 118.8° |
| N8 | C12 | C11 | H111 | 120.0° | 155.1° |
| N8 | C12 | C11 | H112 | 120.0° | 81.1° |
| N8 | C12 | H121 | H122 | 121.4° | 122.3° |
| C12 | N8 | C14 | O14 | 161.8° | 180.0° |
| C12 | N8 | C14 | O15 | 10.8° | 0.1° |
| C14 | N8 | C12 | C11 | 159.3° | 155.9° |
| C14 | N8 | C12 | H121 | 80.7° | 37.0° |
| C14 | N8 | C12 | H122 | 39.3° | 85.4° |
| N8 | C14 | O14 | O15 | 172.2° | 179.9° |
| N8 | C14 | O15 | C16 | 142.6° | 180.0° |
| C11 | C10 | H101 | H102 | 121.2° | 123.2° |
| C10 | C11 | C12 | H111 | 120.0° | 118.1° |
| C10 | C11 | C12 | H112 | 120.0° | 118.0° |
| C10 | C11 | H111 | H112 | 120.5° | 124.0° |
| C10 | C11 | C12 | H121 | 120.0° | 155.8° |
| C10 | C11 | C12 | H122 | 120.0° | 81.8° |
| H101 | C10 | C11 | C12 | 119.2° | 82.9° |
| H101 | C10 | C11 | H111 | 0.8° | 35.2° |
| H101 | C10 | C11 | H112 | 120.8° | 159.1° |
| H102 | C10 | C11 | C12 | 120.7° | 153.9° |
| H102 | C10 | C11 | H111 | 119.3° | 88.0° |
| H102 | C10 | C11 | H112 | 0.7° | 35.9° |
| C12 | C11 | H111 | H112 | 120.5° | 123.8° |
| C11 | C12 | H121 | H122 | 121.4° | 122.3° |
| H111 | C11 | C12 | H121 | 120.0° | 86.0° |
| H111 | C11 | C12 | H122 | 0.0° | 36.3° |
| H112 | C11 | C12 | H121 | 0.0° | 37.8° |
| H112 | C11 | C12 | H122 | 120.0° | 160.1° |
| O14 | C14 | O15 | C16 | 30.2° | 0.1° |
| C14 | O15 | C16 | C17 | 134.2° | 180.0° |
| C14 | O15 | C16 | H161 | 14.2° | 59.9° |
| C14 | O15 | C16 | H162 | 105.8° | 60.0° |
| O15 | C16 | C17 | H161 | 120.0° | 120.0° |
| O15 | C16 | C17 | H162 | 120.0° | 120.0° |
| O15 | C16 | H161 | H162 | 120.5° | 120.0° |
| O15 | C16 | C17 | C18 | 150.7° | 90.0° |
| O15 | C16 | C17 | C22 | 25.4° | 90.3° |
| C17 | C16 | H161 | H162 | 120.5° | 120.0° |
| C16 | C17 | C18 | C22 | 176.1° | 179.7° |
| C16 | C17 | C18 | C19 | 177.7° | 180.0° |
| C16 | C17 | C18 | H18 | 2.3° | 0.0° |
| C16 | C17 | C22 | C21 | 178.4° | 179.8° |
| C16 | C17 | C22 | H22 | 1.6° | 0.1° |
| H161 | C16 | C17 | C18 | 89.3° | 30.0° |
| H161 | C16 | C17 | C22 | 94.6° | 149.7° |
| H162 | C16 | C17 | C18 | 30.7° | 150.0° |
| H162 | C16 | C17 | C22 | 145.4° | 29.8° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C17 | C18 | C19 | H19 | 179.4° | 179.9° |
| C18 | C17 | C22 | C21 | 2.2° | 0.4° |
| C18 | C17 | C22 | H22 | 177.8° | 179.7° |
| C22 | C17 | C18 | C19 | 1.6° | 0.3° |
| C22 | C17 | C18 | H18 | 178.4° | 179.8° |
| C17 | C22 | C21 | C20 | 1.8° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C17 | C22 | C21 | H21 | 178.2° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| H18 | C18 | C19 | C20 | 179.4° | 180.0° |
| H18 | C18 | C19 | H19 | 0.6° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.2° |
| C19 | C20 | C21 | H21 | 179.2° | 179.9° |
| H19 | C19 | C20 | C21 | 179.8° | 180.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 178.2° | 179.7° |
| H20 | C20 | C21 | C22 | 179.2° | 179.9° |
| H20 | C20 | C21 | H21 | 0.8° | 0.0° |
| H21 | C21 | C22 | H22 | 1.8° | 0.2° |
