5MM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C03 | O02 | sing | 1.43Å | 1.42Å | |
| C10 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| O05 | C04 | sing | 1.43Å | 1.41Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| O05 | P06 | sing | 1.61Å | 1.66Å | |
| O07 | P06 | doub | 1.48Å | 1.47Å | |
| P06 | O08 | sing | 1.61Å | 1.65Å | |
| P06 | O09 | sing | 1.61Å | 1.64Å | |
| O08 | HO08 | sing | 0.97Å | 0.95Å | |
| O09 | HO09 | sing | 0.97Å | 0.95Å | |
| C12 | C10 | sing | 1.53Å | 1.56Å | |
| O11 | C10 | sing | 1.43Å | 1.41Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C14 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | O13 | sing | 1.43Å | 1.40Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C16 | C14 | sing | 1.53Å | 1.55Å | |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| C16 | O17 | sing | 1.43Å | 1.41Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| P18 | O17 | sing | 1.61Å | 1.66Å | |
| O21 | P18 | doub | 1.48Å | 1.66Å | |
| O20 | P18 | sing | 1.61Å | 1.65Å | |
| P18 | O19 | sing | 1.61Å | 1.47Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C01 | H01 | 109.5° | 109.5° |
| O02 | C01 | H01A | 109.4° | 109.4° |
| O02 | C01 | H01B | 109.5° | 109.5° |
| C01 | O02 | C03 | 120.1° | 113.9° |
| H01 | C01 | H01A | 109.5° | 109.4° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| O02 | C03 | C10 | 109.4° | 109.4° |
| O02 | C03 | C04 | 109.2° | 109.5° |
| O02 | C03 | H03 | 110.8° | 109.5° |
| C10 | C03 | C04 | 112.4° | 109.5° |
| C10 | C03 | H03 | 107.4° | 109.4° |
| C03 | C10 | C12 | 111.2° | 109.5° |
| C03 | C10 | O11 | 110.1° | 109.4° |
| C03 | C10 | H10 | 108.0° | 109.4° |
| C04 | C03 | H03 | 107.7° | 109.5° |
| C03 | C04 | O05 | 111.3° | 109.4° |
| C03 | C04 | H04 | 108.8° | 109.5° |
| C03 | C04 | H04A | 108.9° | 109.5° |
| O05 | C04 | H04 | 108.9° | 109.5° |
| O05 | C04 | H04A | 108.8° | 109.5° |
| C04 | O05 | P06 | 121.3° | 123.0° |
| H04 | C04 | H04A | 110.1° | 109.4° |
| O05 | P06 | O07 | 110.0° | 109.5° |
| O05 | P06 | O08 | 108.0° | 109.5° |
| O05 | P06 | O09 | 109.7° | 109.5° |
| O07 | P06 | O08 | 111.0° | 109.5° |
| O07 | P06 | O09 | 108.0° | 109.4° |
| O08 | P06 | O09 | 110.1° | 109.5° |
| P06 | O08 | HO08 | 109.5° | 114.0° |
| P06 | O09 | HO09 | 109.5° | 114.0° |
| C12 | C10 | O11 | 109.7° | 109.5° |
| C12 | C10 | H10 | 108.3° | 109.5° |
| C10 | C12 | C14 | 112.5° | 109.5° |
| C10 | C12 | O13 | 111.6° | 109.5° |
| C10 | C12 | H12 | 105.4° | 109.4° |
| O11 | C10 | H10 | 109.5° | 109.5° |
| C10 | O11 | HO11 | 109.5° | 114.0° |
| C14 | C12 | O13 | 107.9° | 109.5° |
| C14 | C12 | H12 | 109.3° | 109.5° |
| C12 | C14 | C16 | 107.4° | 109.5° |
| C12 | C14 | O15 | 110.5° | 109.5° |
| C12 | C14 | H14 | 110.2° | 109.5° |
| O13 | C12 | H12 | 110.2° | 109.5° |
| C12 | O13 | HO13 | 109.5° | 114.0° |
| C16 | C14 | O15 | 109.5° | 109.4° |
| C16 | C14 | H14 | 111.2° | 109.5° |
| C14 | C16 | O17 | 108.9° | 109.5° |
| C14 | C16 | H16 | 109.7° | 109.5° |
| C14 | C16 | H16A | 109.7° | 109.5° |
| O15 | C14 | H14 | 108.1° | 109.4° |
| C14 | O15 | HO15 | 109.5° | 114.0° |
| O17 | C16 | H16 | 109.6° | 109.5° |
| O17 | C16 | H16A | 109.7° | 109.5° |
| C16 | O17 | P18 | 117.7° | 123.0° |
| H16 | C16 | H16A | 109.3° | 109.5° |
| O17 | P18 | O21 | 108.8° | 109.5° |
| O17 | P18 | O20 | 106.6° | 109.5° |
| O17 | P18 | O19 | 111.1° | 109.5° |
| O21 | P18 | O20 | 109.9° | 109.5° |
| O21 | P18 | O19 | 111.1° | 109.4° |
| O20 | P18 | O19 | 109.2° | 109.5° |
| P18 | O20 | HO20 | 109.5° | 114.0° |
| P18 | O19 | HO19 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C01 | H01 | H01A | 120.0° | 119.9° |
| O02 | C01 | H01 | H01B | 120.0° | 120.1° |
| O02 | C01 | H01A | H01B | 120.0° | 120.1° |
| C01 | O02 | C03 | C10 | 104.1° | 150.0° |
| C01 | O02 | C03 | C04 | 132.6° | 90.0° |
| C01 | O02 | C03 | H03 | 14.1° | 30.1° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | O02 | C03 | 180.0° | 180.0° |
| H01A | C01 | O02 | C03 | 60.0° | 60.1° |
| H01B | C01 | O02 | C03 | 60.0° | 60.0° |
| O02 | C03 | C10 | C04 | 121.4° | 120.0° |
| O02 | C03 | C10 | H03 | 120.3° | 120.0° |
| O02 | C03 | C04 | H03 | 120.3° | 120.1° |
| O02 | C03 | C04 | O05 | 173.4° | 65.1° |
| O02 | C03 | C04 | H04 | 53.4° | 174.9° |
| O02 | C03 | C04 | H04A | 66.6° | 54.9° |
| O02 | C03 | C10 | C12 | 61.7° | 60.0° |
| O02 | C03 | C10 | O11 | 176.5° | 180.0° |
| O02 | C03 | C10 | H10 | 57.1° | 60.0° |
| C10 | C03 | C04 | H03 | 118.1° | 120.0° |
| C10 | C03 | C04 | O05 | 51.9° | 175.0° |
| C10 | C03 | C04 | H04 | 68.2° | 55.0° |
| C10 | C03 | C04 | H04A | 171.8° | 65.0° |
| C03 | C10 | C12 | O11 | 122.0° | 120.0° |
| C03 | C10 | C12 | H10 | 118.5° | 120.0° |
| C03 | C10 | O11 | H10 | 118.6° | 119.9° |
| C03 | C10 | O11 | HO11 | 180.0° | 60.1° |
| C03 | C10 | C12 | C14 | 176.4° | 175.0° |
| C03 | C10 | C12 | O13 | 62.1° | 55.0° |
| C03 | C10 | C12 | H12 | 57.4° | 65.0° |
| C03 | C04 | O05 | H04 | 120.0° | 120.0° |
| C03 | C04 | O05 | H04A | 120.0° | 120.1° |
| C03 | C04 | H04 | H04A | 119.3° | 120.1° |
| C03 | C04 | O05 | P06 | 153.9° | 180.0° |
| C04 | C03 | C10 | C12 | 176.9° | 180.0° |
| C04 | C03 | C10 | O11 | 55.1° | 60.0° |
| C04 | C03 | C10 | H10 | 64.3° | 60.0° |
| H03 | C03 | C04 | O05 | 66.3° | 55.0° |
| H03 | C03 | C04 | H04 | 173.7° | 65.0° |
| H03 | C03 | C04 | H04A | 53.7° | 175.0° |
| H03 | C03 | C10 | C12 | 58.6° | 60.0° |
| H03 | C03 | C10 | O11 | 63.2° | 60.1° |
| H03 | C03 | C10 | H10 | 177.3° | 180.0° |
| O05 | C04 | H04 | H04A | 119.2° | 120.0° |
| C04 | O05 | P06 | O07 | 163.4° | 55.0° |
| C04 | O05 | P06 | O08 | 75.3° | 174.9° |
| C04 | O05 | P06 | O09 | 44.8° | 65.0° |
| H04 | C04 | O05 | P06 | 86.1° | 60.0° |
| H04A | C04 | O05 | P06 | 33.9° | 60.0° |
| O05 | P06 | O07 | O08 | 119.5° | 120.0° |
| O05 | P06 | O07 | O09 | 119.7° | 120.0° |
| O05 | P06 | O08 | O09 | 119.8° | 120.0° |
| O05 | P06 | O08 | HO08 | 120.7° | 180.0° |
| O05 | P06 | O09 | HO09 | 119.8° | 59.9° |
| O07 | P06 | O08 | O09 | 119.5° | 119.9° |
| O07 | P06 | O08 | HO08 | 0.0° | 60.0° |
| O07 | P06 | O09 | HO09 | 0.0° | 179.9° |
| O08 | P06 | O09 | HO09 | 121.4° | 60.1° |
| O09 | P06 | O08 | HO08 | 119.5° | 59.9° |
| C12 | C10 | O11 | H10 | 118.8° | 120.0° |
| C12 | C10 | O11 | HO11 | 57.3° | 60.0° |
| C10 | C12 | C14 | O13 | 123.6° | 120.0° |
| C10 | C12 | C14 | H12 | 116.6° | 120.0° |
| C10 | C12 | O13 | H12 | 116.7° | 120.0° |
| C10 | C12 | O13 | HO13 | 180.0° | 60.0° |
| C10 | C12 | C14 | C16 | 117.7° | 180.0° |
| C10 | C12 | C14 | O15 | 1.6° | 60.0° |
| C10 | C12 | C14 | H14 | 121.0° | 59.9° |
| O11 | C10 | C12 | C14 | 61.6° | 55.0° |
| O11 | C10 | C12 | O13 | 59.9° | 65.0° |
| O11 | C10 | C12 | H12 | 179.5° | 175.0° |
| H10 | C10 | O11 | HO11 | 61.4° | 180.0° |
| H10 | C10 | C12 | C14 | 57.9° | 65.0° |
| H10 | C10 | C12 | O13 | 179.4° | 175.0° |
| H10 | C10 | C12 | H12 | 61.1° | 55.0° |
| C14 | C12 | O13 | H12 | 119.2° | 120.1° |
| C14 | C12 | O13 | HO13 | 55.9° | 60.0° |
| C12 | C14 | C16 | O15 | 120.0° | 120.0° |
| C12 | C14 | C16 | H14 | 120.6° | 120.0° |
| C12 | C14 | O15 | H14 | 120.7° | 120.0° |
| C12 | C14 | O15 | HO15 | 180.0° | 60.0° |
| C12 | C14 | C16 | O17 | 39.6° | 175.0° |
| C12 | C14 | C16 | H16 | 159.6° | 55.0° |
| C12 | C14 | C16 | H16A | 80.4° | 65.0° |
| O13 | C12 | C14 | C16 | 118.7° | 60.0° |
| O13 | C12 | C14 | O15 | 122.0° | 180.0° |
| O13 | C12 | C14 | H14 | 2.6° | 60.0° |
| H12 | C12 | O13 | HO13 | 63.3° | 179.9° |
| H12 | C12 | C14 | C16 | 1.1° | 60.0° |
| H12 | C12 | C14 | O15 | 118.2° | 60.0° |
| H12 | C12 | C14 | H14 | 122.4° | 179.9° |
| C16 | C14 | O15 | H14 | 121.3° | 120.0° |
| C16 | C14 | O15 | HO15 | 61.9° | 60.0° |
| C14 | C16 | O17 | H16 | 120.0° | 120.0° |
| C14 | C16 | O17 | H16A | 120.0° | 120.0° |
| C14 | C16 | H16 | H16A | 120.2° | 120.0° |
| C14 | C16 | O17 | P18 | 147.3° | 180.0° |
| O15 | C14 | C16 | O17 | 80.3° | 65.0° |
| O15 | C14 | C16 | H16 | 39.7° | 175.0° |
| O15 | C14 | C16 | H16A | 159.6° | 55.0° |
| H14 | C14 | O15 | HO15 | 59.3° | 180.0° |
| H14 | C14 | C16 | O17 | 160.3° | 54.9° |
| H14 | C14 | C16 | H16 | 79.8° | 65.0° |
| H14 | C14 | C16 | H16A | 40.2° | 175.0° |
| O17 | C16 | H16 | H16A | 120.2° | 120.0° |
| C16 | O17 | P18 | O21 | 55.6° | 55.0° |
| C16 | O17 | P18 | O20 | 62.9° | 65.0° |
| C16 | O17 | P18 | O19 | 178.2° | 175.0° |
| H16 | C16 | O17 | P18 | 27.3° | 60.0° |
| H16A | C16 | O17 | P18 | 92.7° | 60.0° |
| O17 | P18 | O21 | O20 | 116.4° | 120.0° |
| O17 | P18 | O21 | O19 | 122.7° | 120.0° |
| O17 | P18 | O20 | O19 | 120.2° | 120.0° |
| O17 | P18 | O19 | HO19 | 121.3° | 180.0° |
| O17 | P18 | O20 | HO20 | 117.8° | 60.0° |
| O21 | P18 | O20 | O19 | 122.1° | 120.0° |
| O21 | P18 | O19 | HO19 | 0.0° | 60.0° |
| O21 | P18 | O20 | HO20 | 0.0° | 180.0° |
| O20 | P18 | O19 | HO19 | 121.4° | 60.0° |
| O19 | P18 | O20 | HO20 | 122.1° | 60.0° |
