A1CZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.27Å | |
| C | C1 | sing | 1.51Å | 1.90Å | |
| C1 | C12 | sing | 1.53Å | 1.60Å | |
| C14 | C13 | sing | 1.53Å | 1.37Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.22Å | |
| C15 | O12 | doub | 1.21Å | 1.23Å | |
| C15 | N | sing | 1.35Å | 1.37Å | |
| N | C16 | sing | 1.46Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C1A | sing | 1.53Å | 1.59Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.48Å | |
| C1A | C1B | sing | 1.53Å | 1.59Å | |
| C1B | N1 | sing | 1.47Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C1A | H19 | sing | 1.09Å | 1.10Å | |
| C1A | H20 | sing | 1.09Å | 1.10Å | |
| C1B | H21 | sing | 1.09Å | 1.10Å | |
| C1B | H22 | sing | 1.09Å | 1.10Å | |
| N1 | H23 | sing | 1.01Å | 1.00Å | |
| N1 | H24 | sing | 1.01Å | 1.00Å | |
| C | O1 | sing | 1.34Å | 1.61Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 115.7° | 120.0° |
| O | C | O1 | 91.9° | 120.0° |
| C | C1 | C12 | 113.9° | 109.5° |
| C | C1 | H1 | 108.3° | 109.4° |
| C | C1 | H2 | 108.4° | 109.5° |
| C1 | C | O1 | 145.9° | 120.1° |
| C1 | C12 | C13 | 108.1° | 109.5° |
| C12 | C1 | H1 | 108.4° | 109.5° |
| C12 | C1 | H2 | 108.4° | 109.5° |
| C1 | C12 | H4 | 109.8° | 109.5° |
| C1 | C12 | H5 | 109.8° | 109.5° |
| C13 | C14 | C15 | 115.5° | 109.5° |
| C14 | C13 | C12 | 105.0° | 109.5° |
| C14 | C13 | H6 | 110.6° | 109.4° |
| C14 | C13 | H7 | 110.6° | 109.5° |
| C13 | C14 | H8 | 108.0° | 109.4° |
| C13 | C14 | H9 | 107.9° | 109.5° |
| C14 | C15 | O12 | 119.1° | 120.0° |
| C14 | C15 | N | 117.6° | 120.0° |
| C15 | C14 | H8 | 107.9° | 109.5° |
| C15 | C14 | H9 | 108.0° | 109.5° |
| C13 | C12 | H4 | 109.8° | 109.5° |
| C13 | C12 | H5 | 109.8° | 109.5° |
| C12 | C13 | H6 | 110.6° | 109.5° |
| C12 | C13 | H7 | 110.6° | 109.5° |
| O12 | C15 | N | 122.4° | 120.0° |
| C15 | N | C16 | 110.9° | 120.0° |
| C15 | N | H10 | 124.5° | 120.0° |
| N | C16 | C17 | 110.7° | 109.5° |
| C16 | N | H10 | 124.5° | 120.0° |
| N | C16 | H11 | 109.2° | 109.5° |
| N | C16 | H12 | 109.2° | 109.5° |
| C18 | C19 | C1A | 114.1° | 109.5° |
| C19 | C18 | C17 | 110.5° | 109.5° |
| C19 | C18 | H15 | 109.2° | 109.5° |
| C19 | C18 | H16 | 109.2° | 109.5° |
| C18 | C19 | H17 | 108.3° | 109.5° |
| C18 | C19 | H18 | 108.3° | 109.5° |
| C19 | C1A | C1B | 113.2° | 109.5° |
| C1A | C19 | H17 | 108.3° | 109.5° |
| C1A | C19 | H18 | 108.3° | 109.4° |
| C19 | C1A | H19 | 108.5° | 109.4° |
| C19 | C1A | H20 | 108.5° | 109.4° |
| C16 | C17 | C18 | 108.2° | 109.5° |
| C17 | C16 | H11 | 109.2° | 109.4° |
| C17 | C16 | H12 | 109.1° | 109.4° |
| C16 | C17 | H13 | 109.8° | 109.5° |
| C16 | C17 | H14 | 109.8° | 109.4° |
| C18 | C17 | H13 | 109.8° | 109.5° |
| C18 | C17 | H14 | 109.8° | 109.5° |
| C17 | C18 | H15 | 109.2° | 109.5° |
| C17 | C18 | H16 | 109.2° | 109.5° |
| C1A | C1B | N1 | 111.5° | 109.4° |
| C1B | C1A | H19 | 108.5° | 109.4° |
| C1B | C1A | H20 | 108.5° | 109.5° |
| C1A | C1B | H21 | 109.0° | 109.4° |
| C1A | C1B | H22 | 109.0° | 109.5° |
| N1 | C1B | H21 | 108.9° | 109.4° |
| N1 | C1B | H22 | 108.9° | 109.5° |
| C1B | N1 | H23 | 109.5° | 110.9° |
| C1B | N1 | H24 | 109.5° | 111.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.4° | 109.4° |
| H15 | C18 | H16 | 109.5° | 109.4° |
| H17 | C19 | H18 | 109.4° | 109.4° |
| H19 | C1A | H20 | 109.5° | 109.5° |
| H21 | C1B | H22 | 109.5° | 109.5° |
| H23 | N1 | H24 | 109.5° | 111.0° |
| C | O1 | H3 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | O1 | 140.9° | 180.0° |
| O | C | C1 | C12 | 10.2° | 0.0° |
| O | C | C1 | H1 | 130.9° | 120.0° |
| O | C | C1 | H2 | 110.4° | 120.1° |
| O | C | O1 | H3 | 0.0° | 0.0° |
| C | C1 | C12 | H1 | 120.6° | 120.0° |
| C | C1 | C12 | H2 | 120.7° | 120.0° |
| C | C1 | C12 | C13 | 74.5° | 180.0° |
| C | C1 | H1 | H2 | 118.0° | 119.9° |
| C | C1 | C12 | H4 | 45.3° | 60.0° |
| C | C1 | C12 | H5 | 165.7° | 60.0° |
| C1 | C | O1 | H3 | 145.3° | 180.0° |
| C1 | C12 | C13 | C14 | 49.8° | 180.0° |
| C1 | C12 | C13 | H4 | 119.8° | 120.0° |
| C1 | C12 | C13 | H5 | 119.8° | 120.0° |
| C12 | C1 | H1 | H2 | 118.0° | 120.0° |
| C1 | C12 | H4 | H5 | 120.6° | 120.0° |
| C1 | C12 | C13 | H6 | 169.1° | 60.0° |
| C1 | C12 | C13 | H7 | 69.5° | 60.0° |
| C12 | C1 | C | O1 | 130.6° | 180.0° |
| C13 | C14 | C15 | H8 | 120.9° | 119.9° |
| C13 | C14 | C15 | H9 | 120.9° | 120.1° |
| C14 | C13 | C12 | H6 | 119.3° | 120.0° |
| C14 | C13 | C12 | H7 | 119.3° | 120.1° |
| C13 | C14 | C15 | O12 | 89.4° | 0.0° |
| C13 | C14 | C15 | N | 100.9° | 180.0° |
| C14 | C13 | C12 | H4 | 169.6° | 60.0° |
| C14 | C13 | C12 | H5 | 70.0° | 59.9° |
| C14 | C13 | H6 | H7 | 122.1° | 120.0° |
| C13 | C14 | H8 | H9 | 117.2° | 119.9° |
| C15 | C14 | C13 | C12 | 75.8° | 180.0° |
| C14 | C15 | O12 | N | 169.2° | 180.0° |
| C14 | C15 | N | C16 | 176.7° | 180.0° |
| C15 | C14 | C13 | H6 | 43.5° | 60.0° |
| C15 | C14 | C13 | H7 | 164.9° | 59.9° |
| C15 | C14 | H8 | H9 | 117.2° | 120.1° |
| C14 | C15 | N | H10 | 3.3° | 0.0° |
| C13 | C12 | C1 | H1 | 164.8° | 60.0° |
| C13 | C12 | C1 | H2 | 46.1° | 60.0° |
| C13 | C12 | H4 | H5 | 120.6° | 120.0° |
| C12 | C13 | H6 | H7 | 122.1° | 120.0° |
| C12 | C13 | C14 | H8 | 45.1° | 60.0° |
| C12 | C13 | C14 | H9 | 163.3° | 59.9° |
| O12 | C15 | N | C16 | 7.4° | 0.0° |
| O12 | C15 | C14 | H8 | 31.5° | 120.0° |
| O12 | C15 | C14 | H9 | 149.7° | 120.0° |
| O12 | C15 | N | H10 | 172.6° | 180.0° |
| C15 | N | C16 | H10 | 180.0° | 180.0° |
| C15 | N | C16 | C17 | 154.1° | 180.0° |
| N | C15 | C14 | H8 | 138.2° | 60.0° |
| N | C15 | C14 | H9 | 20.0° | 60.0° |
| C15 | N | C16 | H11 | 33.9° | 60.0° |
| C15 | N | C16 | H12 | 85.8° | 60.0° |
| N | C16 | C17 | H11 | 120.2° | 120.0° |
| N | C16 | C17 | H12 | 120.2° | 120.1° |
| N | C16 | C17 | C18 | 51.5° | 180.0° |
| N | C16 | H11 | H12 | 119.5° | 120.1° |
| N | C16 | C17 | H13 | 68.3° | 60.0° |
| N | C16 | C17 | H14 | 171.3° | 60.0° |
| C18 | C19 | C1A | H17 | 120.7° | 120.0° |
| C18 | C19 | C1A | H18 | 120.7° | 120.0° |
| C19 | C18 | C17 | C16 | 59.8° | 180.0° |
| C19 | C18 | C17 | H15 | 120.2° | 120.0° |
| C19 | C18 | C17 | H16 | 120.2° | 120.0° |
| C18 | C19 | C1A | C1B | 43.0° | 180.0° |
| C19 | C18 | C17 | H13 | 179.7° | 60.0° |
| C19 | C18 | C17 | H14 | 60.0° | 60.0° |
| C19 | C18 | H15 | H16 | 119.5° | 120.0° |
| C18 | C19 | H17 | H18 | 117.9° | 120.0° |
| C18 | C19 | C1A | H19 | 163.5° | 60.0° |
| C18 | C19 | C1A | H20 | 77.6° | 60.0° |
| C1A | C19 | C18 | C17 | 101.2° | 180.0° |
| C19 | C1A | C1B | H19 | 120.6° | 119.9° |
| C19 | C1A | C1B | H20 | 120.5° | 120.0° |
| C19 | C1A | C1B | N1 | 113.7° | 180.0° |
| C1A | C19 | C18 | H15 | 19.0° | 60.0° |
| C1A | C19 | C18 | H16 | 138.7° | 60.0° |
| C1A | C19 | H17 | H18 | 117.9° | 119.9° |
| C19 | C1A | H19 | H20 | 118.3° | 120.0° |
| C19 | C1A | C1B | H21 | 6.6° | 60.1° |
| C19 | C1A | C1B | H22 | 126.0° | 60.0° |
| C16 | C17 | C18 | H13 | 119.8° | 120.0° |
| C16 | C17 | C18 | H14 | 119.8° | 120.0° |
| C17 | C16 | N | H10 | 25.9° | 0.0° |
| C17 | C16 | H11 | H12 | 119.4° | 119.9° |
| C16 | C17 | H13 | H14 | 120.6° | 119.9° |
| C16 | C17 | C18 | H15 | 180.0° | 60.0° |
| C16 | C17 | C18 | H16 | 60.3° | 60.0° |
| C18 | C17 | C16 | H11 | 171.6° | 59.9° |
| C18 | C17 | C16 | H12 | 68.7° | 59.9° |
| C18 | C17 | H13 | H14 | 120.6° | 120.0° |
| C17 | C18 | H15 | H16 | 119.5° | 120.0° |
| C17 | C18 | C19 | H17 | 19.5° | 60.0° |
| C17 | C18 | C19 | H18 | 138.1° | 60.0° |
| C1A | C1B | N1 | H21 | 120.3° | 119.9° |
| C1A | C1B | N1 | H22 | 120.3° | 120.0° |
| C1B | C1A | C19 | H17 | 77.7° | 60.0° |
| C1B | C1A | C19 | H18 | 163.7° | 59.9° |
| C1B | C1A | H19 | H20 | 118.3° | 120.1° |
| C1A | C1B | H21 | H22 | 119.1° | 120.0° |
| C1A | C1B | N1 | H23 | 180.0° | 179.9° |
| C1A | C1B | N1 | H24 | 60.0° | 56.1° |
| N1 | C1B | C1A | H19 | 125.7° | 60.1° |
| N1 | C1B | C1A | H20 | 6.8° | 60.0° |
| N1 | C1B | H21 | H22 | 119.1° | 120.1° |
| C1B | N1 | H23 | H24 | 120.0° | 123.9° |
| H1 | C1 | C12 | H4 | 75.4° | 180.0° |
| H1 | C1 | C12 | H5 | 45.1° | 60.0° |
| H1 | C1 | C | O1 | 10.0° | 60.0° |
| H2 | C1 | C12 | H4 | 165.9° | 60.0° |
| H2 | C1 | C12 | H5 | 73.6° | 180.0° |
| H2 | C1 | C | O1 | 108.7° | 60.0° |
| H4 | C12 | C13 | H6 | 71.1° | 180.0° |
| H4 | C12 | C13 | H7 | 50.3° | 60.0° |
| H5 | C12 | C13 | H6 | 49.3° | 60.0° |
| H5 | C12 | C13 | H7 | 170.7° | 180.0° |
| H6 | C13 | C14 | H8 | 164.4° | 180.0° |
| H6 | C13 | C14 | H9 | 77.4° | 60.1° |
| H7 | C13 | C14 | H8 | 74.2° | 60.1° |
| H7 | C13 | C14 | H9 | 44.0° | NaN° |
| H10 | N | C16 | H11 | 146.1° | 120.0° |
| H10 | N | C16 | H12 | 94.3° | 120.0° |
| H11 | C16 | C17 | H13 | 51.8° | 180.0° |
| H11 | C16 | C17 | H14 | 68.5° | 60.1° |
| H12 | C16 | C17 | H13 | 171.5° | 60.1° |
| H12 | C16 | C17 | H14 | 51.1° | 180.0° |
| H13 | C17 | C18 | H15 | 60.2° | 180.0° |
| H13 | C17 | C18 | H16 | 59.5° | 60.1° |
| H14 | C17 | C18 | H15 | 60.2° | 60.0° |
| H14 | C17 | C18 | H16 | 179.8° | 179.9° |
| H15 | C18 | C19 | H17 | 139.7° | 180.0° |
| H15 | C18 | C19 | H18 | 101.7° | 60.0° |
| H16 | C18 | C19 | H17 | 100.6° | 60.0° |
| H16 | C18 | C19 | H18 | 18.0° | 180.0° |
| H17 | C19 | C1A | H19 | 42.8° | 179.9° |
| H17 | C19 | C1A | H20 | 161.7° | 60.0° |
| H18 | C19 | C1A | H19 | 75.8° | 60.0° |
| H18 | C19 | C1A | H20 | 43.1° | 180.0° |
| H19 | C1A | C1B | H21 | 114.0° | NaN° |
| H19 | C1A | C1B | H22 | 5.4° | 60.0° |
| H20 | C1A | C1B | H21 | 127.1° | 59.9° |
| H20 | C1A | C1B | H22 | 113.5° | 180.0° |
| H21 | C1B | N1 | H23 | 59.7° | 60.0° |
| H21 | C1B | N1 | H24 | 179.7° | 176.0° |
| H22 | C1B | N1 | H23 | 59.7° | 60.1° |
| H22 | C1B | N1 | H24 | 60.3° | 63.9° |
