L4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S16 | doub | 1.42Å | 1.49Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | C22 | sing | 1.53Å | 1.48Å | |
| O17 | S16 | doub | 1.42Å | 1.50Å | |
| S16 | O19 | sing | 1.52Å | 1.48Å | |
| S16 | O15 | sing | 1.52Å | 1.65Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | O21 | sing | 1.43Å | 1.46Å | |
| C20 | C14 | sing | 1.53Å | 1.48Å | |
| C22 | O25 | sing | 1.43Å | 1.48Å | |
| C14 | O15 | sing | 1.43Å | 1.46Å | |
| C14 | C12 | sing | 1.53Å | 1.49Å | |
| O25 | C11 | sing | 1.43Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C11 | O10 | sing | 1.43Å | 1.35Å | |
| O10 | C09 | sing | 1.43Å | 1.45Å | |
| C09 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | N05 | sing | 1.47Å | 1.45Å | |
| C04 | C03 | sing | 1.51Å | 1.54Å | |
| N05 | C06 | sing | 1.35Å | 1.47Å | |
| O26 | C03 | doub | 1.21Å | 1.16Å | |
| C03 | C02 | sing | 1.46Å | 1.49Å | |
| C06 | O08 | doub | 1.21Å | 1.19Å | |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | doub | 1.33Å | 1.33Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O19 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | S16 | O17 | 108.7° | 123.2° |
| O18 | S16 | O19 | 114.1° | 106.4° |
| O18 | S16 | O15 | 110.8° | 106.4° |
| O24 | C23 | C22 | 111.2° | 109.5° |
| O24 | C23 | H231 | 109.0° | 109.4° |
| O24 | C23 | H232 | 109.0° | 109.5° |
| C23 | O24 | H241 | 109.5° | 114.0° |
| C23 | C22 | C20 | 112.9° | 109.5° |
| C23 | C22 | O25 | 109.2° | 109.5° |
| C23 | C22 | H221 | 109.9° | 109.5° |
| C22 | C23 | H231 | 109.0° | 109.4° |
| C22 | C23 | H232 | 109.1° | 109.4° |
| O17 | S16 | O19 | 110.8° | 106.4° |
| O17 | S16 | O15 | 108.8° | 106.4° |
| O19 | S16 | O15 | 103.4° | 107.2° |
| S16 | O19 | H3 | 109.5° | 114.0° |
| S16 | O15 | C14 | 116.8° | 114.0° |
| C22 | C20 | O21 | 112.8° | 109.5° |
| C22 | C20 | C14 | 110.8° | 109.2° |
| C20 | C22 | O25 | 105.6° | 109.4° |
| C22 | C20 | H201 | 107.4° | 109.5° |
| C20 | C22 | H221 | 109.2° | 109.5° |
| O21 | C20 | C14 | 109.5° | 109.5° |
| O21 | C20 | H201 | 108.2° | 109.5° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| C20 | C14 | O15 | 111.5° | 109.5° |
| C20 | C14 | C12 | 114.5° | 109.0° |
| C20 | C14 | H141 | 108.7° | 109.6° |
| C14 | C20 | H201 | 108.1° | 109.6° |
| C22 | O25 | C11 | 110.3° | 114.1° |
| O25 | C22 | H221 | 110.0° | 109.5° |
| O15 | C14 | C12 | 104.4° | 109.5° |
| O15 | C14 | H141 | 109.0° | 109.5° |
| C14 | C12 | C11 | 107.9° | 109.2° |
| C14 | C12 | O13 | 112.7° | 109.5° |
| C14 | C12 | H121 | 109.7° | 109.6° |
| C12 | C14 | H141 | 108.6° | 109.6° |
| O25 | C11 | C12 | 109.5° | 109.4° |
| O25 | C11 | O10 | 107.8° | 109.5° |
| O25 | C11 | H111 | 109.4° | 109.5° |
| C11 | C12 | O13 | 106.7° | 109.5° |
| C12 | C11 | O10 | 110.8° | 109.5° |
| C12 | C11 | H111 | 108.5° | 109.5° |
| C11 | C12 | H121 | 109.2° | 109.6° |
| O13 | C12 | H121 | 110.6° | 109.5° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C11 | O10 | C09 | 107.4° | 114.0° |
| O10 | C11 | H111 | 110.9° | 109.5° |
| O10 | C09 | C04 | 105.3° | 109.5° |
| O10 | C09 | H092 | 110.5° | 109.4° |
| O10 | C09 | H091 | 110.5° | 109.5° |
| C09 | C04 | N05 | 107.4° | 109.5° |
| C09 | C04 | C03 | 98.9° | 109.5° |
| C09 | C04 | H041 | 110.2° | 109.5° |
| C04 | C09 | H092 | 110.5° | 109.5° |
| C04 | C09 | H091 | 110.5° | 109.5° |
| N05 | C04 | C03 | 117.4° | 109.5° |
| C04 | N05 | C06 | 120.1° | 120.0° |
| N05 | C04 | H041 | 111.7° | 109.5° |
| C04 | N05 | H051 | 120.0° | 120.0° |
| C04 | C03 | O26 | 121.7° | 120.0° |
| C04 | C03 | C02 | 112.9° | 120.0° |
| C03 | C04 | H041 | 110.4° | 109.4° |
| N05 | C06 | O08 | 119.8° | 120.0° |
| N05 | C06 | C07 | 121.1° | 119.9° |
| C06 | N05 | H051 | 120.0° | 120.1° |
| O26 | C03 | C02 | 123.6° | 120.0° |
| C03 | C02 | C01 | 140.6° | 120.0° |
| C03 | C02 | H2 | 109.7° | 120.0° |
| O08 | C06 | C07 | 119.1° | 120.0° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H073 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C01 | C02 | H2 | 109.7° | 120.0° |
| H1 | C01 | H011 | 120.0° | 120.0° |
| H071 | C07 | H073 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.4° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S16 | O17 | O19 | 126.1° | 123.0° |
| O18 | S16 | O17 | O15 | 120.8° | 123.0° |
| O18 | S16 | O19 | O15 | 120.5° | 113.5° |
| O18 | S16 | O15 | C14 | 83.2° | 38.5° |
| O18 | S16 | O19 | H3 | 123.1° | 66.4° |
| O24 | C23 | C22 | H231 | 120.2° | 120.0° |
| O24 | C23 | C22 | H232 | 120.3° | 120.0° |
| O24 | C23 | C22 | C20 | 176.7° | 175.0° |
| O24 | C23 | C22 | O25 | 66.2° | 65.1° |
| O24 | C23 | C22 | H221 | 54.6° | 54.9° |
| O24 | C23 | H231 | H232 | 119.2° | 120.1° |
| C23 | C22 | C20 | O25 | 119.2° | 120.0° |
| C23 | C22 | C20 | H221 | 122.5° | 120.1° |
| C23 | C22 | C20 | O21 | 53.2° | 57.7° |
| C23 | C22 | C20 | C14 | 176.3° | 177.6° |
| C23 | C22 | O25 | H221 | 120.7° | 120.0° |
| C23 | C22 | O25 | C11 | 172.8° | 178.9° |
| C23 | C22 | C20 | H201 | 65.9° | 62.5° |
| C22 | C23 | H231 | H232 | 119.2° | 120.0° |
| C22 | C23 | O24 | H241 | 180.0° | 180.0° |
| O17 | S16 | O19 | O15 | 116.4° | 113.5° |
| O17 | S16 | O15 | C14 | 36.3° | 171.4° |
| O17 | S16 | O19 | H3 | 0.0° | 66.5° |
| O19 | S16 | O15 | C14 | 154.1° | 75.0° |
| S16 | O15 | C14 | C20 | 96.7° | 145.4° |
| S16 | O15 | C14 | C12 | 139.3° | 95.0° |
| S16 | O15 | C14 | H141 | 23.3° | 25.1° |
| O15 | S16 | O19 | H3 | 116.5° | 180.0° |
| C22 | C20 | O21 | C14 | 123.8° | 119.7° |
| C22 | C20 | O21 | H201 | 118.7° | 120.2° |
| C22 | C20 | C14 | H201 | 117.4° | 119.9° |
| C20 | C22 | O25 | H221 | 117.7° | 120.0° |
| C22 | C20 | C14 | O15 | 171.7° | 176.8° |
| C22 | C20 | C14 | C12 | 53.5° | 57.0° |
| C20 | C22 | O25 | C11 | 65.6° | 61.2° |
| C22 | C20 | C14 | H141 | 68.1° | 63.0° |
| C20 | C22 | C23 | H231 | 63.1° | 55.0° |
| C20 | C22 | C23 | H232 | 56.4° | 65.0° |
| C22 | C20 | O21 | H211 | 180.0° | 60.0° |
| O21 | C20 | C14 | H201 | 117.7° | 120.1° |
| O21 | C20 | C22 | O25 | 66.0° | 62.3° |
| O21 | C20 | C14 | O15 | 46.7° | 56.9° |
| O21 | C20 | C14 | C12 | 71.4° | 62.9° |
| O21 | C20 | C14 | H141 | 166.9° | 177.1° |
| O21 | C20 | C22 | H221 | 175.8° | 177.8° |
| C14 | C20 | C22 | O25 | 57.1° | 57.6° |
| C20 | C14 | O15 | C12 | 124.1° | 119.5° |
| C20 | C14 | O15 | H141 | 120.0° | 120.3° |
| C20 | C14 | C12 | H141 | 121.7° | 120.0° |
| C20 | C14 | C12 | C11 | 51.7° | 57.0° |
| C20 | C14 | C12 | O13 | 169.2° | 176.9° |
| C20 | C14 | C12 | H121 | 67.1° | 63.0° |
| C14 | C20 | C22 | H221 | 61.2° | 62.4° |
| C14 | C20 | O21 | H211 | 56.2° | 179.7° |
| C22 | O25 | C11 | C12 | 67.8° | 61.2° |
| C22 | O25 | C11 | O10 | 171.6° | 178.9° |
| C22 | O25 | C11 | H111 | 50.9° | 58.8° |
| O25 | C22 | C20 | H201 | 174.9° | 177.6° |
| O25 | C22 | C23 | H231 | 54.0° | 175.0° |
| O25 | C22 | C23 | H232 | 173.5° | 55.0° |
| O15 | C14 | C12 | H141 | 116.2° | 120.2° |
| O15 | C14 | C12 | C11 | 173.8° | 176.8° |
| O15 | C14 | C12 | O13 | 68.7° | 63.3° |
| O15 | C14 | C12 | H121 | 55.0° | 56.8° |
| O15 | C14 | C20 | H201 | 70.9° | 63.2° |
| C14 | C12 | C11 | O25 | 57.3° | 57.6° |
| C14 | C12 | C11 | O13 | 121.3° | 119.9° |
| C14 | C12 | C11 | H121 | 119.2° | 120.0° |
| C14 | C12 | O13 | H121 | 123.2° | 120.1° |
| C14 | C12 | C11 | O10 | 176.0° | 177.6° |
| C14 | C12 | C11 | H111 | 62.0° | 62.3° |
| C12 | C14 | C20 | H201 | 170.9° | 177.0° |
| C14 | C12 | O13 | H131 | 180.0° | 179.6° |
| O25 | C11 | C12 | O10 | 118.7° | 120.0° |
| O25 | C11 | C12 | H111 | 119.3° | 119.9° |
| O25 | C11 | C12 | O13 | 178.6° | 177.5° |
| O25 | C11 | O10 | H111 | 119.7° | 120.0° |
| O25 | C11 | O10 | C09 | 81.0° | 65.0° |
| O25 | C11 | C12 | H121 | 61.8° | 62.4° |
| C11 | O25 | C22 | H221 | 52.1° | 58.8° |
| C11 | C12 | O13 | H121 | 118.7° | 120.2° |
| C12 | C11 | O10 | H111 | 120.5° | 120.0° |
| C12 | C11 | O10 | C09 | 159.2° | 175.0° |
| C11 | C12 | C14 | H141 | 70.0° | 63.0° |
| C11 | C12 | O13 | H131 | 61.8° | 60.0° |
| O13 | C12 | C11 | O10 | 62.7° | 62.5° |
| O13 | C12 | C11 | H111 | 59.3° | 57.6° |
| O13 | C12 | C14 | H141 | 47.5° | 56.9° |
| C11 | O10 | C09 | C04 | 152.5° | 180.0° |
| C11 | O10 | C09 | H092 | 33.1° | 59.9° |
| C11 | O10 | C09 | H091 | 88.2° | 60.0° |
| O10 | C11 | C12 | H121 | 56.9° | 57.6° |
| O10 | C09 | C04 | H092 | 119.4° | 120.0° |
| O10 | C09 | C04 | H091 | 119.4° | 120.0° |
| O10 | C09 | C04 | N05 | 49.8° | 65.0° |
| O10 | C09 | C04 | C03 | 72.7° | 55.0° |
| O10 | C09 | C04 | H041 | 171.7° | 174.9° |
| O10 | C09 | H092 | H091 | 121.9° | 119.9° |
| C09 | O10 | C11 | H111 | 38.7° | 55.0° |
| C09 | C04 | N05 | C03 | 110.1° | 120.0° |
| C09 | C04 | N05 | H041 | 120.9° | 120.0° |
| C09 | C04 | C03 | H041 | 115.5° | 120.0° |
| C09 | C04 | N05 | C06 | 137.6° | 155.0° |
| C09 | C04 | C03 | O26 | 54.3° | 105.0° |
| C09 | C04 | C03 | C02 | 110.9° | 75.0° |
| C04 | C09 | H092 | H091 | 121.9° | 120.0° |
| C09 | C04 | N05 | H051 | 42.4° | 25.0° |
| N05 | C04 | C03 | H041 | 129.6° | 120.0° |
| C04 | N05 | C06 | H051 | 180.0° | 179.9° |
| N05 | C04 | C03 | O26 | 169.2° | 15.0° |
| N05 | C04 | C03 | C02 | 4.0° | 165.0° |
| C04 | N05 | C06 | O08 | 179.5° | 0.1° |
| C04 | N05 | C06 | C07 | 0.2° | 180.0° |
| N05 | C04 | C09 | H092 | 69.6° | 175.0° |
| N05 | C04 | C09 | H091 | 169.2° | 55.0° |
| C03 | C04 | N05 | C06 | 112.3° | 85.0° |
| C04 | C03 | O26 | C02 | 163.6° | 179.9° |
| C04 | C03 | C02 | C01 | 177.4° | 180.0° |
| C04 | C03 | C02 | H2 | 2.6° | 0.0° |
| C03 | C04 | C09 | H092 | 168.0° | 65.0° |
| C03 | C04 | C09 | H091 | 46.7° | 175.0° |
| C03 | C04 | N05 | H051 | 67.7° | 95.0° |
| N05 | C06 | O08 | C07 | 179.7° | 179.9° |
| C06 | N05 | C04 | H041 | 16.7° | 35.0° |
| N05 | C06 | C07 | H071 | 179.7° | 180.0° |
| N05 | C06 | C07 | H073 | 60.3° | 60.1° |
| N05 | C06 | C07 | H072 | 59.7° | 60.0° |
| O26 | C03 | C02 | C01 | 12.5° | 0.1° |
| O26 | C03 | C02 | H2 | 167.5° | 180.0° |
| O26 | C03 | C04 | H041 | 61.2° | 135.1° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 0.0° | 180.0° |
| C03 | C02 | C01 | H011 | 180.0° | 0.3° |
| C02 | C03 | C04 | H041 | 133.6° | 45.0° |
| O08 | C06 | C07 | H071 | 0.0° | 0.0° |
| O08 | C06 | C07 | H073 | 120.0° | 120.0° |
| O08 | C06 | C07 | H072 | 120.0° | 120.0° |
| O08 | C06 | N05 | H051 | 0.5° | 180.0° |
| C06 | C07 | H071 | H073 | 120.0° | 119.9° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | C07 | H073 | H072 | 120.0° | 120.0° |
| C07 | C06 | N05 | H051 | 179.9° | 0.1° |
| C02 | C01 | H1 | H011 | 180.0° | 179.7° |
| H1 | C01 | C02 | H2 | 180.0° | 0.0° |
| H011 | C01 | C02 | H2 | 0.0° | 179.7° |
| H041 | C04 | C09 | H092 | 52.3° | 55.0° |
| H041 | C04 | C09 | H091 | 69.0° | 65.1° |
| H041 | C04 | N05 | H051 | 163.4° | 145.0° |
| H071 | C07 | H073 | H072 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 178.8° | 177.7° |
| H121 | C12 | C14 | H141 | 171.2° | 177.0° |
| H121 | C12 | O13 | H131 | 56.9° | 60.2° |
| H141 | C14 | C20 | H201 | 49.2° | 57.0° |
| H201 | C20 | C22 | H221 | 56.6° | 57.6° |
| H201 | C20 | O21 | H211 | 61.3° | 60.1° |
| H221 | C22 | C23 | H231 | 174.8° | 65.0° |
| H221 | C22 | C23 | H232 | 65.7° | 175.0° |
| H231 | C23 | O24 | H241 | 59.7° | 60.0° |
| H232 | C23 | O24 | H241 | 59.7° | 60.0° |
