A1LVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | O26 | sing | 1.43Å | 1.39Å | |
| O26 | C20 | sing | 1.36Å | 1.39Å | |
| O17 | S16 | doub | 1.42Å | 1.45Å | |
| N15 | S16 | sing | 1.66Å | 1.70Å | |
| N15 | C08 | sing | 1.40Å | 1.45Å | |
| C09 | C08 | doub | 1.39Å | 1.53Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.53Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.52Å | Aromatic |
| C20 | C18 | sing | 1.39Å | 1.52Å | Aromatic |
| S16 | C18 | sing | 1.76Å | 1.80Å | |
| S16 | O19 | doub | 1.42Å | 1.46Å | |
| C08 | C07 | sing | 1.39Å | 1.53Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.52Å | Aromatic |
| C18 | C24 | doub | 1.38Å | 1.53Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.52Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.52Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.52Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.53Å | Aromatic |
| C11 | C06 | sing | 1.39Å | 1.52Å | Aromatic |
| C11 | CL1 | sing | 1.74Å | 1.78Å | |
| C06 | N04 | sing | 1.40Å | 1.45Å | |
| C23 | C25 | sing | 1.51Å | 1.52Å | |
| N04 | S03 | sing | 1.67Å | 1.69Å | |
| N04 | C05 | sing | 1.47Å | 1.52Å | |
| O14 | S03 | doub | 1.42Å | 1.45Å | |
| O13 | S03 | doub | 1.42Å | 1.46Å | |
| S03 | C02 | sing | 1.83Å | 1.71Å | |
| C05 | C01 | sing | 1.54Å | 1.57Å | |
| C01 | C02 | sing | 1.56Å | 1.39Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O26 | C20 | 113.2° | 117.0° |
| O26 | C27 | H17 | 109.5° | 109.4° |
| O26 | C27 | H18 | 109.5° | 109.4° |
| O26 | C27 | H19 | 109.5° | 109.5° |
| O26 | C20 | C21 | 120.7° | 120.0° |
| O26 | C20 | C18 | 119.3° | 120.0° |
| O17 | S16 | N15 | 111.1° | 106.5° |
| O17 | S16 | C18 | 109.1° | 106.4° |
| O17 | S16 | O19 | 100.9° | 123.1° |
| S16 | N15 | C08 | 120.4° | 120.0° |
| N15 | S16 | C18 | 114.4° | 107.2° |
| N15 | S16 | O19 | 110.3° | 106.4° |
| S16 | N15 | H13 | 106.7° | 119.9° |
| N15 | C08 | C09 | 120.0° | 120.0° |
| N15 | C08 | C07 | 120.1° | 120.0° |
| C08 | N15 | H13 | 106.6° | 120.0° |
| C08 | C09 | C10 | 119.6° | 120.1° |
| C09 | C08 | C07 | 119.9° | 120.0° |
| C08 | C09 | H12 | 120.2° | 120.0° |
| C09 | C10 | C11 | 120.0° | 120.1° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| C10 | C09 | H12 | 120.2° | 119.9° |
| C21 | C20 | C18 | 120.0° | 119.9° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C20 | C21 | H2 | 120.0° | 120.1° |
| C20 | C18 | S16 | 119.4° | 120.0° |
| C20 | C18 | C24 | 120.5° | 119.9° |
| C18 | S16 | O19 | 110.1° | 106.4° |
| S16 | C18 | C24 | 120.1° | 120.0° |
| C08 | C07 | C06 | 120.5° | 119.8° |
| C08 | C07 | H11 | 119.8° | 120.1° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C22 | C21 | H2 | 120.1° | 120.0° |
| C21 | C22 | H3 | 119.9° | 120.0° |
| C18 | C24 | C23 | 119.2° | 120.0° |
| C18 | C24 | H4 | 120.4° | 120.0° |
| C10 | C11 | C06 | 120.5° | 120.1° |
| C10 | C11 | CL1 | 120.8° | 120.0° |
| C11 | C10 | H1 | 120.0° | 119.9° |
| C07 | C06 | C11 | 119.5° | 119.9° |
| C07 | C06 | N04 | 121.0° | 120.0° |
| C06 | C07 | H11 | 119.7° | 120.1° |
| C22 | C23 | C24 | 120.2° | 120.2° |
| C22 | C23 | C25 | 120.4° | 119.9° |
| C23 | C22 | H3 | 119.9° | 120.0° |
| C24 | C23 | C25 | 119.4° | 119.9° |
| C23 | C24 | H4 | 120.4° | 120.0° |
| C06 | C11 | CL1 | 118.8° | 120.0° |
| C11 | C06 | N04 | 119.5° | 120.1° |
| C06 | N04 | S03 | 127.6° | 126.3° |
| C06 | N04 | C05 | 128.3° | 126.3° |
| C23 | C25 | H14 | 109.5° | 109.5° |
| C23 | C25 | H15 | 109.5° | 109.5° |
| C23 | C25 | H16 | 109.5° | 109.4° |
| S03 | N04 | C05 | 103.5° | 107.4° |
| N04 | S03 | O14 | 109.1° | 105.1° |
| N04 | S03 | O13 | 108.6° | 105.1° |
| N04 | S03 | C02 | 104.1° | 99.4° |
| N04 | C05 | C01 | 107.4° | 110.1° |
| N04 | C05 | H9 | 110.0° | 109.4° |
| N04 | C05 | H10 | 110.0° | 109.4° |
| O14 | S03 | O13 | 118.9° | 121.8° |
| O14 | S03 | C02 | 106.3° | 111.2° |
| O13 | S03 | C02 | 108.9° | 111.3° |
| S03 | C02 | C01 | 102.8° | 100.7° |
| S03 | C02 | H7 | 111.2° | 111.1° |
| S03 | C02 | H8 | 111.1° | 111.2° |
| C05 | C01 | C02 | 112.7° | 104.3° |
| C05 | C01 | H5 | 108.6° | 110.5° |
| C05 | C01 | H6 | 108.6° | 110.6° |
| C01 | C05 | H9 | 110.0° | 109.4° |
| C01 | C05 | H10 | 110.0° | 109.3° |
| C02 | C01 | H5 | 108.7° | 110.5° |
| C02 | C01 | H6 | 108.6° | 110.5° |
| C01 | C02 | H7 | 111.1° | 111.2° |
| C01 | C02 | H8 | 111.1° | 111.2° |
| H5 | C01 | H6 | 109.5° | 110.5° |
| H7 | C02 | H8 | 109.4° | 111.1° |
| H9 | C05 | H10 | 109.5° | 109.3° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H14 | C25 | H16 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.4° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.4° |
| H17 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | O26 | C20 | C21 | 7.4° | 5.4° |
| C27 | O26 | C20 | C18 | 172.4° | 174.3° |
| O26 | C27 | H17 | H18 | 120.0° | 119.9° |
| O26 | C27 | H17 | H19 | 120.0° | 120.0° |
| O26 | C27 | H18 | H19 | 120.0° | 120.0° |
| O26 | C20 | C21 | C18 | 179.8° | 179.7° |
| O26 | C20 | C18 | S16 | 0.8° | 0.3° |
| O26 | C20 | C21 | C22 | 180.0° | 179.8° |
| O26 | C20 | C18 | C24 | 179.5° | 179.8° |
| O26 | C20 | C21 | H2 | 0.0° | 0.3° |
| C20 | O26 | C27 | H17 | 180.0° | 55.1° |
| C20 | O26 | C27 | H18 | 60.0° | 64.9° |
| C20 | O26 | C27 | H19 | 60.0° | 175.1° |
| O17 | S16 | N15 | C18 | 124.1° | 113.6° |
| O17 | S16 | N15 | O19 | 111.1° | 133.0° |
| O17 | S16 | N15 | C08 | 156.2° | 175.0° |
| O17 | S16 | C18 | C20 | 50.6° | 48.3° |
| O17 | S16 | C18 | O19 | 109.9° | 132.9° |
| O17 | S16 | C18 | C24 | 128.2° | 131.6° |
| O17 | S16 | N15 | H13 | 82.3° | 5.0° |
| S16 | N15 | C08 | H13 | 121.5° | 180.0° |
| S16 | N15 | C08 | C09 | 159.1° | 45.2° |
| N15 | S16 | C18 | C20 | 74.6° | 65.3° |
| N15 | S16 | C18 | O19 | 124.9° | 113.5° |
| S16 | N15 | C08 | C07 | 20.9° | 134.1° |
| N15 | S16 | C18 | C24 | 106.6° | 114.8° |
| N15 | C08 | C09 | C07 | 179.9° | 179.3° |
| N15 | C08 | C09 | C10 | 179.8° | 179.8° |
| C08 | N15 | S16 | C18 | 79.7° | 61.4° |
| C08 | N15 | S16 | O19 | 45.1° | 52.1° |
| N15 | C08 | C07 | C06 | 179.8° | 180.0° |
| N15 | C08 | C07 | H11 | 0.2° | 0.5° |
| N15 | C08 | C09 | H12 | 0.2° | 0.2° |
| C08 | C09 | C10 | H12 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.7° |
| C08 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C08 | C07 | H11 | 179.9° | 179.8° |
| C09 | C08 | N15 | H13 | 79.4° | 134.8° |
| C10 | C09 | C08 | C07 | 0.3° | 0.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 0.2° | 0.3° |
| C09 | C10 | C11 | CL1 | 180.0° | 179.8° |
| C21 | C20 | C18 | S16 | 179.4° | 180.0° |
| C20 | C21 | C22 | H2 | 180.0° | 179.9° |
| C21 | C20 | C18 | C24 | 0.7° | 0.1° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C20 | C21 | C22 | H3 | 180.0° | 180.0° |
| C20 | C18 | S16 | C24 | 178.8° | 180.0° |
| C20 | C18 | S16 | O19 | 160.4° | 178.8° |
| C18 | C20 | C21 | C22 | 0.2° | 0.1° |
| C20 | C18 | C24 | C23 | 0.9° | 0.1° |
| C18 | C20 | C21 | H2 | 179.8° | 180.0° |
| C20 | C18 | C24 | H4 | 179.1° | 179.9° |
| S16 | C18 | C24 | C23 | 179.6° | 180.0° |
| S16 | C18 | C24 | H4 | 0.4° | 0.1° |
| C18 | S16 | N15 | H13 | 41.9° | 118.6° |
| O19 | S16 | C18 | C24 | 18.4° | 1.3° |
| O19 | S16 | N15 | H13 | 166.6° | 127.9° |
| C08 | C07 | C06 | H11 | 180.0° | 179.5° |
| C08 | C07 | C06 | C11 | 0.3° | 0.4° |
| C08 | C07 | C06 | N04 | 180.0° | 179.6° |
| C07 | C08 | C09 | H12 | 179.7° | 179.5° |
| C07 | C08 | N15 | H13 | 100.7° | 45.9° |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | C25 | 179.8° | 180.0° |
| C18 | C24 | C23 | C22 | 0.6° | 0.0° |
| C18 | C24 | C23 | H4 | 180.0° | 179.9° |
| C18 | C24 | C23 | C25 | 179.4° | 180.0° |
| C10 | C11 | C06 | C07 | 0.2° | 0.1° |
| C10 | C11 | C06 | CL1 | 179.8° | 179.9° |
| C10 | C11 | C06 | N04 | 179.9° | 179.9° |
| C11 | C10 | C09 | H12 | 179.6° | 180.0° |
| C07 | C06 | C11 | N04 | 179.7° | 180.0° |
| C07 | C06 | C11 | CL1 | 179.6° | 180.0° |
| C07 | C06 | N04 | S03 | 23.9° | 95.0° |
| C07 | C06 | N04 | C05 | 166.4° | 85.0° |
| C22 | C23 | C24 | C25 | 180.0° | 180.0° |
| C23 | C22 | C21 | H2 | 180.0° | 180.0° |
| C22 | C23 | C24 | H4 | 179.4° | 179.9° |
| C22 | C23 | C25 | H14 | 90.0° | 90.0° |
| C22 | C23 | C25 | H15 | 150.0° | 150.0° |
| C22 | C23 | C25 | H16 | 30.0° | 30.0° |
| C24 | C23 | C22 | H3 | 179.8° | 180.0° |
| C24 | C23 | C25 | H14 | 90.0° | 90.0° |
| C24 | C23 | C25 | H15 | 30.0° | 30.0° |
| C24 | C23 | C25 | H16 | 150.0° | 150.0° |
| C11 | C06 | N04 | S03 | 156.4° | 85.0° |
| C11 | C06 | N04 | C05 | 13.3° | 95.0° |
| C06 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C06 | C07 | H11 | 179.7° | 180.0° |
| CL1 | C11 | C06 | N04 | 0.1° | 0.0° |
| CL1 | C11 | C10 | H1 | 0.1° | 0.1° |
| C06 | N04 | S03 | C05 | 171.7° | 180.0° |
| C06 | N04 | S03 | O14 | 74.3° | 61.0° |
| C06 | N04 | S03 | O13 | 56.6° | 68.6° |
| C06 | N04 | S03 | C02 | 172.5° | 176.2° |
| C06 | N04 | C05 | C01 | 171.1° | 150.9° |
| C06 | N04 | C05 | H9 | 51.5° | 88.8° |
| C06 | N04 | C05 | H10 | 69.2° | 30.8° |
| N04 | C06 | C07 | H11 | 0.0° | 0.0° |
| C25 | C23 | C22 | H3 | 0.2° | 0.0° |
| C25 | C23 | C24 | H4 | 0.6° | 0.1° |
| C23 | C25 | H14 | H15 | 120.0° | 120.0° |
| C23 | C25 | H14 | H16 | 120.0° | 119.9° |
| C23 | C25 | H15 | H16 | 120.0° | 120.0° |
| N04 | S03 | O14 | O13 | 125.1° | 119.1° |
| N04 | S03 | O14 | C02 | 111.7° | 106.7° |
| N04 | S03 | O13 | C02 | 112.8° | 106.7° |
| S03 | N04 | C05 | C01 | 17.2° | 29.0° |
| N04 | S03 | C02 | C01 | 17.7° | 21.1° |
| N04 | S03 | C02 | H7 | 101.2° | 138.9° |
| N04 | S03 | C02 | H8 | 136.6° | 96.8° |
| S03 | N04 | C05 | H9 | 136.9° | 91.2° |
| S03 | N04 | C05 | H10 | 102.4° | 149.2° |
| C05 | N04 | S03 | O14 | 113.9° | 118.9° |
| C05 | N04 | S03 | O13 | 115.2° | 111.4° |
| C05 | N04 | S03 | C02 | 0.8° | 3.8° |
| N04 | C05 | C01 | H9 | 119.7° | 120.2° |
| N04 | C05 | C01 | H10 | 119.7° | 120.2° |
| N04 | C05 | C01 | C02 | 33.0° | 45.2° |
| N04 | C05 | C01 | H5 | 87.5° | 163.9° |
| N04 | C05 | C01 | H6 | 153.5° | 73.5° |
| N04 | C05 | H9 | H10 | 121.0° | 119.7° |
| O14 | S03 | O13 | C02 | 121.8° | 134.3° |
| O14 | S03 | C02 | C01 | 97.4° | 89.3° |
| O14 | S03 | C02 | H7 | 143.6° | 28.6° |
| O14 | S03 | C02 | H8 | 21.5° | 152.8° |
| O13 | S03 | C02 | C01 | 133.4° | 131.5° |
| O13 | S03 | C02 | H7 | 14.5° | 110.7° |
| O13 | S03 | C02 | H8 | 107.7° | 13.6° |
| S03 | C02 | C01 | C05 | 30.3° | 37.9° |
| S03 | C02 | C01 | H7 | 119.0° | 117.8° |
| S03 | C02 | C01 | H8 | 118.9° | 117.9° |
| S03 | C02 | C01 | H5 | 90.2° | 156.6° |
| S03 | C02 | C01 | H6 | 150.8° | 80.9° |
| S03 | C02 | H7 | H8 | 123.1° | 124.3° |
| C05 | C01 | C02 | H5 | 120.5° | 118.7° |
| C05 | C01 | C02 | H6 | 120.5° | 118.8° |
| C05 | C01 | H5 | H6 | 118.5° | 122.6° |
| C05 | C01 | C02 | H7 | 88.6° | 155.7° |
| C05 | C01 | C02 | H8 | 149.2° | 80.0° |
| C01 | C05 | H9 | H10 | 120.9° | 119.6° |
| C02 | C01 | H5 | H6 | 118.5° | 122.5° |
| C01 | C02 | H7 | H8 | 123.1° | 124.3° |
| C02 | C01 | C05 | H9 | 152.7° | 75.0° |
| C02 | C01 | C05 | H10 | 86.7° | 165.4° |
| H1 | C10 | C09 | H12 | 0.4° | 0.3° |
| H2 | C21 | C22 | H3 | 0.0° | 0.1° |
| H5 | C01 | C02 | H7 | 150.9° | 85.6° |
| H5 | C01 | C02 | H8 | 28.8° | 38.7° |
| H5 | C01 | C05 | H9 | 32.2° | 43.7° |
| H5 | C01 | C05 | H10 | 152.8° | 75.9° |
| H6 | C01 | C02 | H7 | 31.8° | 36.9° |
| H6 | C01 | C02 | H8 | 90.3° | 161.2° |
| H6 | C01 | C05 | H9 | 86.8° | 166.2° |
| H6 | C01 | C05 | H10 | 33.8° | 46.6° |
| H14 | C25 | H15 | H16 | 120.0° | 120.0° |
| H17 | C27 | H18 | H19 | 120.0° | 120.1° |
