A1L7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | S02 | sing | 0.00Å | 1.65Å | |
| C12 | S02 | sing | 0.00Å | 1.81Å | |
| S02 | C11 | sing | 0.00Å | 1.81Å | |
| C10 | C11 | sing | 0.00Å | 1.53Å | |
| C10 | C09 | sing | 0.00Å | 1.53Å | |
| C09 | C08 | sing | 0.00Å | 1.51Å | |
| O05 | C06 | sing | 0.00Å | 1.44Å | |
| C06 | C04 | sing | 0.00Å | 1.56Å | |
| C08 | C07 | sing | 0.00Å | 1.53Å | |
| O01 | C04 | sing | 0.00Å | 1.40Å | |
| O01 | C05 | sing | 0.00Å | 1.44Å | |
| S01 | C07 | sing | 0.00Å | 1.84Å | |
| S01 | C05 | sing | 0.00Å | 1.83Å | |
| C04 | C02 | sing | 0.00Å | 1.54Å | |
| C07 | N01 | doub | 0.00Å | 1.26Å | |
| C05 | C03 | sing | 0.00Å | 1.55Å | |
| C02 | O03 | sing | 0.00Å | 1.44Å | |
| C02 | C01 | sing | 0.00Å | 1.50Å | |
| N01 | O06 | sing | 0.00Å | 1.43Å | |
| C03 | C01 | sing | 0.00Å | 1.50Å | |
| C03 | O04 | sing | 0.00Å | 1.42Å | |
| C01 | O02 | sing | 0.00Å | 1.42Å | |
| C10 | H17 | sing | 0.00Å | 1.10Å | |
| C10 | H18 | sing | 0.00Å | 1.10Å | |
| C12 | H21 | sing | 0.00Å | 1.10Å | |
| C12 | H23 | sing | 0.00Å | 1.10Å | |
| C12 | H22 | sing | 0.00Å | 1.10Å | |
| C11 | H19 | sing | 0.00Å | 1.10Å | |
| C11 | H20 | sing | 0.00Å | 1.10Å | |
| C01 | H02 | sing | 0.00Å | 1.10Å | |
| C02 | H03 | sing | 0.00Å | 1.10Å | |
| C03 | H04 | sing | 0.00Å | 1.10Å | |
| C04 | H05 | sing | 0.00Å | 1.10Å | |
| C05 | H06 | sing | 0.00Å | 1.10Å | |
| C06 | H08 | sing | 0.00Å | 1.10Å | |
| C06 | H07 | sing | 0.00Å | 1.10Å | |
| C08 | H12 | sing | 0.00Å | 1.10Å | |
| C08 | H13 | sing | 0.00Å | 1.10Å | |
| C09 | H15 | sing | 0.00Å | 1.10Å | |
| C09 | H14 | sing | 0.00Å | 1.10Å | |
| O02 | H09 | sing | 0.00Å | 0.95Å | |
| O03 | H10 | sing | 0.00Å | 0.95Å | |
| O04 | H11 | sing | 0.00Å | 0.95Å | |
| O05 | H16 | sing | 0.00Å | 0.95Å | |
| O06 | H01 | sing | 0.00Å | 0.95Å | |
| O07 | H1 | sing | 0.00Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | S02 | C12 | 107.0° | 90.0° |
| O07 | S02 | C11 | 109.3° | 90.0° |
| S02 | O07 | H1 | 109.5° | 90.0° |
| C12 | S02 | C11 | 100.2° | 90.0° |
| S02 | C12 | H21 | 109.5° | 90.0° |
| S02 | C12 | H23 | 109.5° | 90.0° |
| S02 | C12 | H22 | 109.5° | 90.0° |
| S02 | C11 | C10 | 110.8° | 90.0° |
| S02 | C11 | H19 | 109.2° | 90.0° |
| S02 | C11 | H20 | 109.2° | 90.0° |
| C11 | C10 | C09 | 106.1° | 90.0° |
| C11 | C10 | H17 | 110.3° | 90.0° |
| C11 | C10 | H18 | 110.3° | 90.0° |
| C10 | C11 | H19 | 109.2° | 90.0° |
| C10 | C11 | H20 | 109.2° | 90.0° |
| C10 | C09 | C08 | 109.5° | 90.0° |
| C09 | C10 | H17 | 110.3° | 90.0° |
| C09 | C10 | H18 | 110.3° | 90.0° |
| C10 | C09 | H15 | 109.5° | 90.0° |
| C10 | C09 | H14 | 109.5° | 90.0° |
| C09 | C08 | C07 | 108.1° | 90.0° |
| C09 | C08 | H12 | 109.8° | 90.0° |
| C09 | C08 | H13 | 109.8° | 90.0° |
| C08 | C09 | H15 | 109.5° | 90.0° |
| C08 | C09 | H14 | 109.4° | 90.0° |
| O05 | C06 | C04 | 111.8° | 90.0° |
| O05 | C06 | H08 | 108.9° | 90.0° |
| O05 | C06 | H07 | 108.9° | 90.0° |
| C06 | O05 | H16 | 109.5° | 90.0° |
| C06 | C04 | O01 | 108.9° | 90.0° |
| C06 | C04 | C02 | 108.2° | 90.0° |
| C06 | C04 | H05 | 109.9° | 90.0° |
| C04 | C06 | H08 | 108.9° | 90.0° |
| C04 | C06 | H07 | 108.9° | 90.0° |
| C08 | C07 | S01 | 117.1° | 90.0° |
| C08 | C07 | N01 | 119.0° | 90.0° |
| C07 | C08 | H12 | 109.8° | 90.0° |
| C07 | C08 | H13 | 109.8° | 90.0° |
| C04 | O01 | C05 | 111.6° | 90.0° |
| O01 | C04 | C02 | 107.1° | 90.0° |
| O01 | C04 | H05 | 112.3° | 90.0° |
| O01 | C05 | S01 | 107.2° | 90.0° |
| O01 | C05 | C03 | 105.7° | 90.0° |
| O01 | C05 | H06 | 113.0° | 90.0° |
| C07 | S01 | C05 | 102.1° | 90.0° |
| S01 | C07 | N01 | 123.9° | 90.0° |
| S01 | C05 | C03 | 111.6° | 90.0° |
| S01 | C05 | H06 | 108.0° | 90.0° |
| C04 | C02 | O03 | 111.1° | 90.0° |
| C04 | C02 | C01 | 114.5° | 90.0° |
| C04 | C02 | H03 | 108.7° | 90.0° |
| C02 | C04 | H05 | 110.2° | 90.0° |
| C07 | N01 | O06 | 121.2° | 90.0° |
| C05 | C03 | C01 | 110.1° | 90.0° |
| C05 | C03 | O04 | 106.4° | 90.0° |
| C05 | C03 | H04 | 109.9° | 90.0° |
| C03 | C05 | H06 | 111.3° | 90.0° |
| O03 | C02 | C01 | 103.2° | 90.0° |
| O03 | C02 | H03 | 110.0° | 90.0° |
| C02 | O03 | H10 | 109.5° | 90.0° |
| C02 | C01 | C03 | 108.0° | 90.0° |
| C02 | C01 | O02 | 110.6° | 90.0° |
| C02 | C01 | H02 | 109.2° | 90.0° |
| C01 | C02 | H03 | 109.3° | 90.0° |
| N01 | O06 | H01 | 109.5° | 90.0° |
| C01 | C03 | O04 | 108.1° | 90.0° |
| C03 | C01 | O02 | 109.5° | 90.0° |
| C03 | C01 | H02 | 109.2° | 90.0° |
| C01 | C03 | H04 | 110.5° | 90.0° |
| O04 | C03 | H04 | 111.8° | 90.0° |
| C03 | O04 | H11 | 109.5° | 90.0° |
| O02 | C01 | H02 | 110.3° | 90.0° |
| C01 | O02 | H09 | 109.5° | 90.0° |
| H17 | C10 | H18 | 109.5° | 90.0° |
| H21 | C12 | H23 | 109.4° | 90.0° |
| H21 | C12 | H22 | 109.5° | 90.0° |
| H23 | C12 | H22 | 109.4° | 90.0° |
| H19 | C11 | H20 | 109.4° | 90.0° |
| H08 | C06 | H07 | 109.4° | 90.0° |
| H12 | C08 | H13 | 109.4° | 90.0° |
| H15 | C09 | H14 | 109.5° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | S02 | C12 | C11 | 114.0° | 90.0° |
| O07 | S02 | C11 | C10 | 25.5° | 90.0° |
| O07 | S02 | C12 | H21 | 180.0° | 90.0° |
| O07 | S02 | C12 | H23 | 60.0° | 90.0° |
| O07 | S02 | C12 | H22 | 60.0° | 90.0° |
| O07 | S02 | C11 | H19 | 145.8° | 90.0° |
| O07 | S02 | C11 | H20 | 94.7° | 90.0° |
| C12 | S02 | C11 | C10 | 137.7° | 90.0° |
| S02 | C12 | H21 | H23 | 120.0° | 90.0° |
| S02 | C12 | H21 | H22 | 120.0° | 90.0° |
| S02 | C12 | H23 | H22 | 120.0° | 90.0° |
| C12 | S02 | C11 | H19 | 102.1° | 90.0° |
| C12 | S02 | C11 | H20 | 17.5° | 90.0° |
| C12 | S02 | O07 | H1 | 180.0° | 90.0° |
| S02 | C11 | C10 | H19 | 120.2° | 90.0° |
| S02 | C11 | C10 | H20 | 120.2° | 90.0° |
| S02 | C11 | C10 | C09 | 172.0° | 90.0° |
| S02 | C11 | C10 | H17 | 52.5° | 90.0° |
| S02 | C11 | C10 | H18 | 68.6° | 90.0° |
| C11 | S02 | C12 | H21 | 66.0° | 90.0° |
| C11 | S02 | C12 | H23 | 174.0° | 90.0° |
| C11 | S02 | C12 | H22 | 54.0° | 90.0° |
| S02 | C11 | H19 | H20 | 119.4° | 90.0° |
| C11 | S02 | O07 | H1 | 72.4° | 90.0° |
| C11 | C10 | C09 | H17 | 119.5° | 90.0° |
| C11 | C10 | C09 | H18 | 119.5° | 90.0° |
| C11 | C10 | C09 | C08 | 89.4° | 90.0° |
| C11 | C10 | H17 | H18 | 121.6° | 90.0° |
| C10 | C11 | H19 | H20 | 119.4° | 90.0° |
| C11 | C10 | C09 | H15 | 30.6° | 90.0° |
| C11 | C10 | C09 | H14 | 150.6° | 90.0° |
| C10 | C09 | C08 | H15 | 120.0° | 90.0° |
| C10 | C09 | C08 | H14 | 120.0° | 90.0° |
| C10 | C09 | C08 | C07 | 103.1° | 90.0° |
| C09 | C10 | H17 | H18 | 121.6° | 90.0° |
| C09 | C10 | C11 | H19 | 67.8° | 90.0° |
| C09 | C10 | C11 | H20 | 51.7° | 90.0° |
| C10 | C09 | C08 | H12 | 137.0° | 90.0° |
| C10 | C09 | C08 | H13 | 16.7° | 90.0° |
| C10 | C09 | H15 | H14 | 120.0° | 90.0° |
| C09 | C08 | C07 | H12 | 119.8° | 90.0° |
| C09 | C08 | C07 | H13 | 119.8° | 90.0° |
| C09 | C08 | C07 | S01 | 96.0° | 90.0° |
| C09 | C08 | C07 | N01 | 84.6° | 90.0° |
| C08 | C09 | C10 | H17 | 151.2° | 90.0° |
| C08 | C09 | C10 | H18 | 30.1° | 90.0° |
| C09 | C08 | H12 | H13 | 120.6° | 90.0° |
| C08 | C09 | H15 | H14 | 120.0° | 90.0° |
| O05 | C06 | C04 | H08 | 120.4° | 90.0° |
| O05 | C06 | C04 | H07 | 120.4° | 90.0° |
| O05 | C06 | C04 | O01 | 55.8° | 90.0° |
| O05 | C06 | C04 | C02 | 60.3° | 90.0° |
| O05 | C06 | C04 | H05 | 179.2° | 90.0° |
| O05 | C06 | H08 | H07 | 118.9° | 90.0° |
| C06 | C04 | O01 | C02 | 116.8° | 90.0° |
| C06 | C04 | O01 | H05 | 122.0° | 90.0° |
| C06 | C04 | O01 | C05 | 178.9° | 90.0° |
| C06 | C04 | C02 | H05 | 120.2° | 90.0° |
| C06 | C04 | C02 | O03 | 71.8° | 90.0° |
| C06 | C04 | C02 | C01 | 171.8° | 90.0° |
| C06 | C04 | C02 | H03 | 49.3° | 90.0° |
| C04 | C06 | H08 | H07 | 118.9° | 90.0° |
| C04 | C06 | O05 | H16 | 180.0° | 90.0° |
| C08 | C07 | S01 | N01 | 179.3° | 90.0° |
| C08 | C07 | S01 | C05 | 87.5° | 90.0° |
| C08 | C07 | N01 | O06 | 177.4° | 90.0° |
| C07 | C08 | H12 | H13 | 120.6° | 90.0° |
| C07 | C08 | C09 | H15 | 16.9° | 90.0° |
| C07 | C08 | C09 | H14 | 136.9° | 90.0° |
| C04 | O01 | C05 | S01 | 171.2° | 90.0° |
| O01 | C04 | C02 | H05 | 122.5° | 90.0° |
| C04 | O01 | C05 | C03 | 69.7° | 90.0° |
| O01 | C04 | C02 | O03 | 170.9° | 90.0° |
| O01 | C04 | C02 | C01 | 54.5° | 90.0° |
| O01 | C04 | C02 | H03 | 68.0° | 90.0° |
| C04 | O01 | C05 | H06 | 52.4° | 90.0° |
| O01 | C04 | C06 | H08 | 176.2° | 90.0° |
| O01 | C04 | C06 | H07 | 64.5° | 90.0° |
| O01 | C05 | S01 | C07 | 88.2° | 90.0° |
| O01 | C05 | S01 | C03 | 115.3° | 90.0° |
| O01 | C05 | S01 | H06 | 122.1° | 90.0° |
| C05 | O01 | C04 | C02 | 64.3° | 90.0° |
| O01 | C05 | C03 | H06 | 123.1° | 90.0° |
| O01 | C05 | C03 | C01 | 63.1° | 90.0° |
| O01 | C05 | C03 | O04 | 180.0° | 90.0° |
| O01 | C05 | C03 | H04 | 58.9° | 90.0° |
| C05 | O01 | C04 | H05 | 56.9° | 90.0° |
| C07 | S01 | C05 | C03 | 27.1° | 90.0° |
| S01 | C07 | N01 | O06 | 1.9° | 90.0° |
| C07 | S01 | C05 | H06 | 149.7° | 90.0° |
| S01 | C07 | C08 | H12 | 144.2° | 90.0° |
| S01 | C07 | C08 | H13 | 23.8° | 90.0° |
| C05 | S01 | C07 | N01 | 91.8° | 90.0° |
| S01 | C05 | C03 | H06 | 120.7° | 90.0° |
| S01 | C05 | C03 | C01 | 179.3° | 90.0° |
| S01 | C05 | C03 | O04 | 63.8° | 90.0° |
| S01 | C05 | C03 | H04 | 57.3° | 90.0° |
| C04 | C02 | O03 | C01 | 123.1° | 90.0° |
| C04 | C02 | O03 | H03 | 120.4° | 90.0° |
| C04 | C02 | C01 | H03 | 122.2° | 90.0° |
| C04 | C02 | C01 | C03 | 50.4° | 90.0° |
| C04 | C02 | C01 | O02 | 170.2° | 90.0° |
| C04 | C02 | C01 | H02 | 68.3° | 90.0° |
| C02 | C04 | C06 | H08 | 60.0° | 90.0° |
| C02 | C04 | C06 | H07 | 179.3° | 90.0° |
| C04 | C02 | O03 | H10 | 180.0° | 90.0° |
| N01 | C07 | C08 | H12 | 35.2° | 90.0° |
| N01 | C07 | C08 | H13 | 155.6° | 90.0° |
| C07 | N01 | O06 | H01 | 180.0° | 90.0° |
| C05 | C03 | C01 | C02 | 54.1° | 90.0° |
| C05 | C03 | C01 | O04 | 115.8° | 90.0° |
| C05 | C03 | C01 | H04 | 121.6° | 90.0° |
| C05 | C03 | O04 | H04 | 119.9° | 90.0° |
| C05 | C03 | C01 | O02 | 174.5° | 90.0° |
| C05 | C03 | C01 | H02 | 64.6° | 90.0° |
| C05 | C03 | O04 | H11 | 180.0° | 90.0° |
| O03 | C02 | C01 | H03 | 117.0° | 90.0° |
| O03 | C02 | C01 | C03 | 171.2° | 90.0° |
| O03 | C02 | C01 | O02 | 69.0° | 90.0° |
| O03 | C02 | C01 | H02 | 52.6° | 90.0° |
| O03 | C02 | C04 | H05 | 48.4° | 90.0° |
| C02 | C01 | C03 | O02 | 120.4° | 90.0° |
| C02 | C01 | C03 | H02 | 118.7° | 90.0° |
| C02 | C01 | C03 | O04 | 169.9° | 90.0° |
| C02 | C01 | O02 | H02 | 120.9° | 90.0° |
| C02 | C01 | C03 | H04 | 67.5° | 90.0° |
| C01 | C02 | C04 | H05 | 68.0° | 90.0° |
| C02 | C01 | O02 | H09 | 180.0° | 90.0° |
| C01 | C02 | O03 | H10 | 56.9° | 90.0° |
| C01 | C03 | O04 | H04 | 121.9° | 90.0° |
| C03 | C01 | O02 | H02 | 120.2° | 90.0° |
| C03 | C01 | C02 | H03 | 71.8° | 90.0° |
| C01 | C03 | C05 | H06 | 60.0° | 90.0° |
| C03 | C01 | O02 | H09 | 61.1° | 90.0° |
| C01 | C03 | O04 | H11 | 61.8° | 90.0° |
| O04 | C03 | C01 | O02 | 69.7° | 90.0° |
| O04 | C03 | C01 | H02 | 51.2° | 90.0° |
| O04 | C03 | C05 | H06 | 56.8° | 90.0° |
| O02 | C01 | C02 | H03 | 47.9° | 90.0° |
| O02 | C01 | C03 | H04 | 53.0° | 90.0° |
| H17 | C10 | C11 | H19 | 172.7° | 90.0° |
| H17 | C10 | C11 | H20 | 67.7° | 90.0° |
| H17 | C10 | C09 | H15 | 88.8° | 90.0° |
| H17 | C10 | C09 | H14 | 31.2° | 90.0° |
| H18 | C10 | C11 | H19 | 51.6° | 90.0° |
| H18 | C10 | C11 | H20 | 171.2° | 90.0° |
| H18 | C10 | C09 | H15 | 150.1° | 90.0° |
| H18 | C10 | C09 | H14 | 89.9° | 90.0° |
| H21 | C12 | H23 | H22 | 120.0° | 90.0° |
| H02 | C01 | C02 | H03 | 169.5° | 90.0° |
| H02 | C01 | C03 | H04 | 173.8° | 90.0° |
| H02 | C01 | O02 | H09 | 59.1° | 90.0° |
| H03 | C02 | C04 | H05 | 169.5° | 90.0° |
| H03 | C02 | O03 | H10 | 59.6° | 90.0° |
| H04 | C03 | C05 | H06 | 178.0° | 90.0° |
| H04 | C03 | O04 | H11 | 60.1° | 90.0° |
| H05 | C04 | C06 | H08 | 60.4° | 90.0° |
| H05 | C04 | C06 | H07 | 58.9° | 90.0° |
| H08 | C06 | O05 | H16 | 59.6° | 90.0° |
| H07 | C06 | O05 | H16 | 59.7° | 90.0° |
| H12 | C08 | C09 | H15 | 102.9° | 90.0° |
| H12 | C08 | C09 | H14 | 17.0° | 90.0° |
| H13 | C08 | C09 | H15 | 136.7° | 90.0° |
| H13 | C08 | C09 | H14 | 103.3° | 90.0° |






