A1I2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C09 | sing | 1.43Å | 1.37Å | |
| O08 | C07 | sing | 1.43Å | 1.37Å | |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| O04 | S02 | doub | 1.42Å | 1.43Å | |
| C06 | N05 | sing | 1.47Å | 1.45Å | |
| C10 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | S02 | sing | 1.66Å | 1.67Å | |
| S02 | O03 | doub | 1.42Å | 1.43Å | |
| S02 | C01 | sing | 1.81Å | 1.79Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | O08 | C07 | 114.1° | 114.2° |
| O08 | C09 | C10 | 112.9° | 109.2° |
| O08 | C09 | H10 | 108.6° | 109.5° |
| O08 | C09 | H11 | 108.6° | 109.5° |
| O08 | C07 | C06 | 107.5° | 109.2° |
| O08 | C07 | H8 | 110.0° | 109.5° |
| O08 | C07 | H9 | 110.0° | 109.6° |
| C09 | C10 | N05 | 111.1° | 108.3° |
| C09 | C10 | H1 | 109.1° | 109.6° |
| C09 | C10 | H2 | 109.0° | 109.7° |
| C10 | C09 | H10 | 108.6° | 109.5° |
| C10 | C09 | H11 | 108.6° | 109.5° |
| C07 | C06 | N05 | 111.5° | 108.3° |
| C07 | C06 | H6 | 109.0° | 109.7° |
| C07 | C06 | H7 | 109.0° | 109.7° |
| C06 | C07 | H8 | 110.0° | 109.5° |
| C06 | C07 | H9 | 110.0° | 109.5° |
| O04 | S02 | N05 | 107.9° | 104.3° |
| O04 | S02 | O03 | 98.8° | 121.0° |
| O04 | S02 | C01 | 116.9° | 110.6° |
| C06 | N05 | C10 | 114.1° | 118.1° |
| C06 | N05 | S02 | 121.6° | 120.9° |
| N05 | C06 | H6 | 109.0° | 109.7° |
| N05 | C06 | H7 | 109.0° | 109.7° |
| C10 | N05 | S02 | 117.1° | 120.9° |
| N05 | C10 | H1 | 109.1° | 109.7° |
| N05 | C10 | H2 | 109.1° | 109.7° |
| N05 | S02 | O03 | 106.9° | 104.3° |
| N05 | S02 | C01 | 113.6° | 104.5° |
| O03 | S02 | C01 | 111.3° | 110.5° |
| S02 | C01 | H3 | 109.5° | 109.5° |
| S02 | C01 | H4 | 109.5° | 109.5° |
| S02 | C01 | H5 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H3 | C01 | H4 | 109.4° | 109.4° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.7° |
| H8 | C07 | H9 | 109.4° | 109.5° |
| H10 | C09 | H11 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C09 | C10 | H10 | 120.5° | 119.9° |
| O08 | C09 | C10 | H11 | 120.5° | 119.9° |
| C09 | O08 | C07 | C06 | 70.2° | 62.6° |
| O08 | C09 | C10 | N05 | 28.9° | 52.3° |
| O08 | C09 | C10 | H1 | 91.4° | 67.4° |
| O08 | C09 | C10 | H2 | 149.2° | 172.0° |
| C09 | O08 | C07 | H8 | 170.1° | 57.3° |
| C09 | O08 | C07 | H9 | 49.5° | 177.4° |
| O08 | C09 | H10 | H11 | 118.4° | 120.1° |
| C07 | O08 | C09 | C10 | 31.9° | 62.6° |
| O08 | C07 | C06 | H8 | 119.7° | 119.9° |
| O08 | C07 | C06 | H9 | 119.7° | 120.0° |
| O08 | C07 | C06 | N05 | 44.1° | 52.3° |
| O08 | C07 | C06 | H6 | 76.2° | 172.0° |
| O08 | C07 | C06 | H7 | 164.4° | 67.4° |
| O08 | C07 | H8 | H9 | 120.9° | 120.1° |
| C07 | O08 | C09 | H10 | 88.6° | 177.5° |
| C07 | O08 | C09 | H11 | 152.4° | 57.3° |
| C09 | C10 | N05 | C06 | 50.9° | 50.5° |
| C09 | C10 | N05 | H1 | 120.3° | 119.7° |
| C09 | C10 | N05 | H2 | 120.2° | 119.8° |
| C09 | C10 | N05 | S02 | 100.0° | 129.5° |
| C09 | C10 | H1 | H2 | 119.2° | 120.6° |
| C10 | C09 | H10 | H11 | 118.4° | 120.1° |
| C07 | C06 | N05 | H6 | 120.3° | 119.7° |
| C07 | C06 | N05 | H7 | 120.3° | 119.7° |
| C07 | C06 | N05 | C10 | 14.3° | 50.5° |
| C07 | C06 | N05 | S02 | 135.1° | 129.5° |
| C07 | C06 | H6 | H7 | 119.1° | 120.6° |
| C06 | C07 | H8 | H9 | 120.9° | 120.1° |
| O04 | S02 | N05 | C06 | 57.4° | 26.1° |
| O04 | S02 | N05 | C10 | 91.1° | 153.9° |
| O04 | S02 | N05 | O03 | 105.4° | 127.8° |
| O04 | S02 | N05 | C01 | 131.3° | 116.1° |
| O04 | S02 | O03 | C01 | 123.5° | 131.5° |
| O04 | S02 | C01 | H3 | 180.0° | 171.6° |
| O04 | S02 | C01 | H4 | 60.0° | 51.7° |
| O04 | S02 | C01 | H5 | 60.0° | 68.4° |
| C06 | N05 | C10 | S02 | 150.9° | 180.0° |
| C06 | N05 | S02 | O03 | 162.9° | 153.9° |
| C06 | N05 | S02 | C01 | 73.9° | 90.0° |
| C06 | N05 | C10 | H1 | 69.4° | 69.2° |
| C06 | N05 | C10 | H2 | 171.1° | 170.3° |
| N05 | C06 | H6 | H7 | 119.1° | 120.5° |
| N05 | C06 | C07 | H8 | 163.8° | 67.6° |
| N05 | C06 | C07 | H9 | 75.6° | 172.3° |
| C10 | N05 | S02 | O03 | 14.3° | 26.1° |
| C10 | N05 | S02 | C01 | 137.5° | 90.0° |
| N05 | C10 | H1 | H2 | 119.3° | 120.6° |
| C10 | N05 | C06 | H6 | 134.6° | 170.2° |
| C10 | N05 | C06 | H7 | 106.1° | 69.2° |
| N05 | C10 | C09 | H10 | 149.4° | 172.2° |
| N05 | C10 | C09 | H11 | 91.6° | 67.6° |
| N05 | S02 | O03 | C01 | 124.7° | 111.8° |
| S02 | N05 | C10 | H1 | 139.8° | 110.8° |
| S02 | N05 | C10 | H2 | 20.3° | 9.7° |
| N05 | S02 | C01 | H3 | 53.2° | 60.0° |
| N05 | S02 | C01 | H4 | 173.2° | 60.0° |
| N05 | S02 | C01 | H5 | 66.8° | 180.0° |
| S02 | N05 | C06 | H6 | 14.8° | 9.8° |
| S02 | N05 | C06 | H7 | 104.6° | 110.8° |
| O03 | S02 | C01 | H3 | 67.6° | 51.7° |
| O03 | S02 | C01 | H4 | 52.4° | 171.6° |
| O03 | S02 | C01 | H5 | 172.4° | 68.4° |
| S02 | C01 | H3 | H4 | 120.0° | 119.9° |
| S02 | C01 | H3 | H5 | 120.0° | 120.1° |
| S02 | C01 | H4 | H5 | 120.0° | 120.1° |
| H1 | C10 | C09 | H10 | 29.2° | 52.5° |
| H1 | C10 | C09 | H11 | 148.1° | 172.7° |
| H2 | C10 | C09 | H10 | 90.3° | 68.0° |
| H2 | C10 | C09 | H11 | 28.6° | 52.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C06 | C07 | H8 | 43.5° | 52.1° |
| H6 | C06 | C07 | H9 | 164.0° | 68.0° |
| H7 | C06 | C07 | H8 | 75.9° | 172.7° |
| H7 | C06 | C07 | H9 | 44.7° | 52.6° |
