A1CV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C2 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.2° | 120.0° |
| O1 | C1 | N1 | 119.8° | 120.0° |
| C1 | C2 | C3 | 110.5° | 109.6° |
| C1 | C2 | C6 | 112.4° | 109.6° |
| C2 | C1 | N1 | 118.0° | 120.0° |
| C1 | C2 | H1 | 107.5° | 109.6° |
| C2 | C3 | C4 | 110.9° | 109.2° |
| C3 | C2 | C6 | 111.4° | 109.0° |
| C3 | C2 | H1 | 107.4° | 109.5° |
| C2 | C3 | H2 | 109.1° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| C3 | C4 | O2 | 112.1° | 109.4° |
| C4 | C3 | H2 | 109.1° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| C3 | C4 | H5 | 108.8° | 109.5° |
| C4 | O2 | C5 | 113.4° | 114.1° |
| O2 | C4 | H4 | 108.8° | 109.4° |
| O2 | C4 | H5 | 108.8° | 109.5° |
| O2 | C5 | C6 | 113.1° | 109.4° |
| O2 | C5 | H6 | 108.6° | 109.5° |
| O2 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | C2 | 112.1° | 109.2° |
| C6 | C5 | H6 | 108.6° | 109.4° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | H8 | 108.8° | 109.5° |
| C5 | C6 | H9 | 108.8° | 109.6° |
| C6 | C2 | H1 | 107.4° | 109.6° |
| C2 | C6 | H8 | 108.8° | 109.5° |
| C2 | C6 | H9 | 108.8° | 109.5° |
| C1 | N1 | C7 | 125.5° | 120.7° |
| C1 | N1 | C11 | 122.4° | 120.6° |
| N1 | C7 | C8 | 109.8° | 108.8° |
| C7 | N1 | C11 | 112.1° | 118.7° |
| N1 | C7 | H10 | 109.4° | 109.5° |
| N1 | C7 | H11 | 109.4° | 109.7° |
| C7 | C8 | C9 | 110.6° | 109.3° |
| C8 | C7 | H10 | 109.4° | 109.6° |
| C8 | C7 | H11 | 109.4° | 109.7° |
| C7 | C8 | H12 | 109.2° | 109.5° |
| C7 | C8 | H13 | 109.2° | 109.5° |
| C8 | C9 | C10 | 110.6° | 109.6° |
| C9 | C8 | H12 | 109.2° | 109.5° |
| C9 | C8 | H13 | 109.2° | 109.5° |
| C8 | C9 | H14 | 109.2° | 109.5° |
| C8 | C9 | H15 | 109.2° | 109.5° |
| C9 | C10 | C11 | 110.7° | 109.3° |
| C9 | C10 | H16 | 109.2° | 109.5° |
| C9 | C10 | H17 | 109.1° | 109.6° |
| C10 | C9 | H14 | 109.2° | 109.5° |
| C10 | C9 | H15 | 109.2° | 109.5° |
| C10 | C11 | N1 | 108.9° | 108.8° |
| C11 | C10 | H16 | 109.2° | 109.4° |
| C11 | C10 | H17 | 109.2° | 109.5° |
| C10 | C11 | H18 | 109.6° | 109.5° |
| C10 | C11 | H19 | 109.6° | 109.6° |
| N1 | C11 | H18 | 109.6° | 109.6° |
| N1 | C11 | H19 | 109.6° | 109.8° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.6° |
| H2 | C3 | H3 | 109.5° | 109.6° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.6° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 177.9° | 179.9° |
| O1 | C1 | C2 | C3 | 11.4° | 24.5° |
| O1 | C1 | C2 | C6 | 113.7° | 95.1° |
| O1 | C1 | N1 | C7 | 104.8° | 5.3° |
| O1 | C1 | N1 | C11 | 71.1° | 174.8° |
| O1 | C1 | C2 | H1 | 128.4° | 144.7° |
| C1 | C2 | C3 | C6 | 125.7° | 119.9° |
| C1 | C2 | C3 | H1 | 117.0° | 120.2° |
| C1 | C2 | C3 | C4 | 107.9° | 176.9° |
| C1 | C2 | C6 | C5 | 69.6° | 176.9° |
| C1 | C2 | C6 | H1 | 118.0° | 120.3° |
| C2 | C1 | N1 | C7 | 73.2° | 174.8° |
| C2 | C1 | N1 | C11 | 110.9° | 5.1° |
| C1 | C2 | C3 | H2 | 131.9° | 63.2° |
| C1 | C2 | C3 | H3 | 12.3° | 57.0° |
| C1 | C2 | C6 | H8 | 170.0° | 56.9° |
| C1 | C2 | C6 | H9 | 50.8° | 63.2° |
| C2 | C3 | C4 | H2 | 120.2° | 119.9° |
| C2 | C3 | C4 | H3 | 120.2° | 119.9° |
| C2 | C3 | C4 | O2 | 40.3° | 57.6° |
| C3 | C2 | C6 | C5 | 55.0° | 57.0° |
| C3 | C2 | C6 | H1 | 117.4° | 119.8° |
| C3 | C2 | C1 | N1 | 166.5° | 155.6° |
| C2 | C3 | H2 | H3 | 119.4° | 120.2° |
| C2 | C3 | C4 | H4 | 80.1° | 62.4° |
| C2 | C3 | C4 | H5 | 160.7° | 177.5° |
| C3 | C2 | C6 | H8 | 65.4° | 63.0° |
| C3 | C2 | C6 | H9 | 175.4° | 176.9° |
| C3 | C4 | O2 | H4 | 120.4° | 120.0° |
| C3 | C4 | O2 | H5 | 120.4° | 120.0° |
| C3 | C4 | O2 | C5 | 66.5° | 61.2° |
| C4 | C3 | C2 | C6 | 17.8° | 57.0° |
| C4 | C3 | C2 | H1 | 135.1° | 62.9° |
| C4 | C3 | H2 | H3 | 119.3° | 120.1° |
| C3 | C4 | H4 | H5 | 118.8° | 120.1° |
| C4 | O2 | C5 | C6 | 26.5° | 61.2° |
| O2 | C4 | C3 | H2 | 160.5° | 177.5° |
| O2 | C4 | C3 | H3 | 79.9° | 62.4° |
| O2 | C4 | H4 | H5 | 118.8° | 120.0° |
| C4 | O2 | C5 | H6 | 94.0° | 178.9° |
| C4 | O2 | C5 | H7 | 147.1° | 58.8° |
| O2 | C5 | C6 | H6 | 120.6° | 120.0° |
| O2 | C5 | C6 | H7 | 120.6° | 120.0° |
| O2 | C5 | C6 | C2 | 32.7° | 57.6° |
| C5 | O2 | C4 | H4 | 53.9° | 58.8° |
| C5 | O2 | C4 | H5 | 173.1° | 178.9° |
| O2 | C5 | H6 | H7 | 118.3° | 120.1° |
| O2 | C5 | C6 | H8 | 87.6° | 62.3° |
| O2 | C5 | C6 | H9 | 153.1° | 177.5° |
| C5 | C6 | C2 | H8 | 120.4° | 119.9° |
| C5 | C6 | C2 | H9 | 120.4° | 119.9° |
| C5 | C6 | C2 | H1 | 172.4° | 62.9° |
| C6 | C5 | H6 | H7 | 118.3° | 120.0° |
| C5 | C6 | H8 | H9 | 118.8° | 120.2° |
| C6 | C2 | C1 | N1 | 68.4° | 84.8° |
| C6 | C2 | C3 | H2 | 102.4° | 176.8° |
| C6 | C2 | C3 | H3 | 138.0° | 63.0° |
| C2 | C6 | C5 | H6 | 153.3° | 177.6° |
| C2 | C6 | C5 | H7 | 87.8° | 62.4° |
| C2 | C6 | H8 | H9 | 118.8° | 120.1° |
| C1 | N1 | C7 | C11 | 176.3° | 179.9° |
| C1 | N1 | C7 | C8 | 115.6° | 126.3° |
| C1 | N1 | C11 | C10 | 114.9° | 126.4° |
| C1 | N1 | C11 | H18 | 5.0° | 113.9° |
| C1 | N1 | C11 | H19 | 125.2° | 6.5° |
| N1 | C1 | C2 | H1 | 49.5° | 35.4° |
| C1 | N1 | C7 | H10 | 4.4° | 6.5° |
| C1 | N1 | C7 | H11 | 124.3° | 113.7° |
| N1 | C7 | C8 | H10 | 120.0° | 119.8° |
| N1 | C7 | C8 | H11 | 120.0° | 120.0° |
| N1 | C7 | C8 | C9 | 55.7° | 54.7° |
| C7 | N1 | C11 | C10 | 61.5° | 53.6° |
| C7 | N1 | C11 | H18 | 178.6° | 66.1° |
| C7 | N1 | C11 | H19 | 58.4° | 173.4° |
| N1 | C7 | H10 | H11 | 119.8° | 120.4° |
| N1 | C7 | C8 | H12 | 64.4° | 174.6° |
| N1 | C7 | C8 | H13 | 175.9° | 65.4° |
| C7 | C8 | C9 | H12 | 120.2° | 119.9° |
| C7 | C8 | C9 | H13 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 53.7° | 61.4° |
| C8 | C7 | N1 | C11 | 60.7° | 53.6° |
| C8 | C7 | H10 | H11 | 119.9° | 120.4° |
| C7 | C8 | H12 | H13 | 119.5° | 120.1° |
| C7 | C8 | C9 | H14 | 173.8° | 178.6° |
| C7 | C8 | C9 | H15 | 66.5° | 58.6° |
| C8 | C9 | C10 | H14 | 120.2° | 120.0° |
| C8 | C9 | C10 | H15 | 120.2° | 120.0° |
| C8 | C9 | C10 | C11 | 55.1° | 61.4° |
| C8 | C9 | C10 | H16 | 65.1° | 58.6° |
| C8 | C9 | C10 | H17 | 175.2° | 178.7° |
| C9 | C8 | C7 | H10 | 175.8° | 174.4° |
| C9 | C8 | C7 | H11 | 64.3° | 65.3° |
| C9 | C8 | H12 | H13 | 119.5° | 120.1° |
| C8 | C9 | H14 | H15 | 119.5° | 120.0° |
| C9 | C10 | C11 | H16 | 120.2° | 120.0° |
| C9 | C10 | C11 | H17 | 120.2° | 120.1° |
| C9 | C10 | C11 | N1 | 58.0° | 54.6° |
| C9 | C10 | H16 | H17 | 119.4° | 120.2° |
| C9 | C10 | C11 | H18 | 177.9° | 65.1° |
| C9 | C10 | C11 | H19 | 61.9° | 174.6° |
| C10 | C9 | C8 | H12 | 66.5° | 178.7° |
| C10 | C9 | C8 | H13 | 173.8° | 58.6° |
| C10 | C9 | H14 | H15 | 119.5° | 119.9° |
| C10 | C11 | N1 | H18 | 119.9° | 119.7° |
| C10 | C11 | N1 | H19 | 119.9° | 119.9° |
| C11 | C10 | H16 | H17 | 119.4° | 120.0° |
| C10 | C11 | H18 | H19 | 120.3° | 120.3° |
| C11 | C10 | C9 | H14 | 175.2° | 178.6° |
| C11 | C10 | C9 | H15 | 65.1° | 58.7° |
| N1 | C11 | C10 | H16 | 62.2° | 65.4° |
| N1 | C11 | C10 | H17 | 178.2° | 174.6° |
| N1 | C11 | H18 | H19 | 120.3° | 120.5° |
| C11 | N1 | C7 | H10 | 179.3° | 173.4° |
| C11 | N1 | C7 | H11 | 59.4° | 66.3° |
| H16 | C10 | C11 | H18 | 57.7° | 174.9° |
| H16 | C10 | C11 | H19 | 177.9° | 54.6° |
| H16 | C10 | C9 | H14 | 55.0° | 61.5° |
| H16 | C10 | C9 | H15 | 174.7° | 178.6° |
| H17 | C10 | C11 | H18 | 61.9° | 54.9° |
| H17 | C10 | C11 | H19 | 58.3° | 65.4° |
| H17 | C10 | C9 | H14 | 64.6° | 58.6° |
| H17 | C10 | C9 | H15 | 55.1° | 61.3° |
| H1 | C2 | C3 | H2 | 14.9° | 57.0° |
| H1 | C2 | C3 | H3 | 104.7° | 177.1° |
| H1 | C2 | C6 | H8 | 52.0° | 177.2° |
| H1 | C2 | C6 | H9 | 67.2° | 57.1° |
| H2 | C3 | C4 | H4 | 40.1° | 57.6° |
| H2 | C3 | C4 | H5 | 79.1° | 62.5° |
| H3 | C3 | C4 | H4 | 159.7° | 177.7° |
| H3 | C3 | C4 | H5 | 40.5° | 57.6° |
| H6 | C5 | C6 | H8 | 32.9° | 57.7° |
| H6 | C5 | C6 | H9 | 86.3° | 62.5° |
| H7 | C5 | C6 | H8 | 151.8° | 177.7° |
| H7 | C5 | C6 | H9 | 32.6° | 57.4° |
| H10 | C7 | C8 | H12 | 55.6° | 65.6° |
| H10 | C7 | C8 | H13 | 64.1° | 54.4° |
| H11 | C7 | C8 | H12 | 175.5° | 54.6° |
| H11 | C7 | C8 | H13 | 55.9° | 174.7° |
| H12 | C8 | C9 | H14 | 53.7° | 58.7° |
| H12 | C8 | C9 | H15 | 173.3° | 61.3° |
| H13 | C8 | C9 | H14 | 66.0° | 61.4° |
| H13 | C8 | C9 | H15 | 53.7° | 178.7° |
