ZD1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | sing | 1.43Å | 1.42Å | |
| O15 | C14 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.59Å | |
| C14 | C16 | sing | 1.53Å | 1.57Å | |
| C14 | C12 | sing | 1.53Å | 1.56Å | |
| O13 | C12 | sing | 1.43Å | 1.41Å | |
| C16 | O19 | sing | 1.43Å | 1.43Å | |
| O19 | C09 | sing | 1.43Å | 1.41Å | |
| C12 | C10 | sing | 1.53Å | 1.57Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C10 | O11 | sing | 1.43Å | 1.41Å | |
| C09 | O08 | sing | 1.43Å | 1.44Å | |
| O08 | C07 | sing | 1.43Å | 1.44Å | |
| C07 | C20 | sing | 1.53Å | 1.59Å | |
| C07 | C04 | sing | 1.50Å | 1.51Å | |
| O06 | C05 | sing | 1.43Å | 1.41Å | |
| C20 | O21 | sing | 1.43Å | 1.40Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | C03 | doub | 1.29Å | 1.34Å | |
| O23 | C22 | sing | 1.43Å | 1.41Å | |
| C22 | C02 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.50Å | 1.50Å | |
| C02 | N01 | sing | 1.47Å | 1.46Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| N01 | H15 | sing | 1.01Å | 1.00Å | |
| N01 | H16 | sing | 1.01Å | 1.00Å | |
| O06 | H18 | sing | 0.97Å | 0.95Å | |
| O11 | H19 | sing | 0.97Å | 0.95Å | |
| O13 | H20 | sing | 0.97Å | 0.95Å | |
| O15 | H21 | sing | 0.97Å | 0.95Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| O21 | H23 | sing | 0.97Å | 0.95Å | |
| O23 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C16 | 106.9° | 109.5° |
| O18 | C17 | H11 | 110.1° | 109.4° |
| O18 | C17 | H12 | 110.1° | 109.4° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| O15 | C14 | C16 | 109.9° | 109.5° |
| O15 | C14 | C12 | 107.5° | 109.5° |
| O15 | C14 | H9 | 112.6° | 109.6° |
| C14 | O15 | H21 | 109.5° | 113.9° |
| C17 | C16 | C14 | 112.1° | 109.5° |
| C17 | C16 | O19 | 108.4° | 109.5° |
| C17 | C16 | H10 | 108.2° | 109.4° |
| C16 | C17 | H11 | 110.1° | 109.5° |
| C16 | C17 | H12 | 110.1° | 109.5° |
| C16 | C14 | C12 | 105.7° | 109.1° |
| C14 | C16 | O19 | 109.3° | 109.5° |
| C16 | C14 | H9 | 110.4° | 109.5° |
| C14 | C16 | H10 | 108.6° | 109.5° |
| C14 | C12 | O13 | 106.8° | 109.6° |
| C14 | C12 | C10 | 109.6° | 109.1° |
| C14 | C12 | H8 | 109.9° | 109.6° |
| C12 | C14 | H9 | 110.5° | 109.5° |
| O13 | C12 | C10 | 108.7° | 109.5° |
| O13 | C12 | H8 | 112.1° | 109.5° |
| C12 | O13 | H20 | 109.5° | 114.1° |
| C16 | O19 | C09 | 118.5° | 114.1° |
| O19 | C16 | H10 | 110.3° | 109.5° |
| O19 | C09 | C10 | 110.5° | 109.5° |
| O19 | C09 | O08 | 109.3° | 109.4° |
| O19 | C09 | H6 | 109.4° | 109.5° |
| C12 | C10 | C09 | 111.0° | 109.2° |
| C12 | C10 | O11 | 108.6° | 109.5° |
| C12 | C10 | H7 | 109.4° | 109.5° |
| C10 | C12 | H8 | 109.8° | 109.5° |
| C09 | C10 | O11 | 106.7° | 109.5° |
| C10 | C09 | O08 | 111.0° | 109.5° |
| C10 | C09 | H6 | 107.6° | 109.5° |
| C09 | C10 | H7 | 109.6° | 109.5° |
| O11 | C10 | H7 | 111.6° | 109.6° |
| C10 | O11 | H19 | 109.5° | 114.0° |
| C09 | O08 | C07 | 115.3° | 114.0° |
| O08 | C09 | H6 | 109.0° | 109.5° |
| O08 | C07 | C20 | 107.8° | 109.4° |
| O08 | C07 | C04 | 111.5° | 109.4° |
| O08 | C07 | H5 | 108.9° | 109.2° |
| C20 | C07 | C04 | 113.4° | 110.2° |
| C07 | C20 | O21 | 106.1° | 109.7° |
| C07 | C20 | C22 | 111.9° | 108.4° |
| C20 | C07 | H5 | 107.0° | 109.3° |
| C07 | C20 | H13 | 110.2° | 109.7° |
| C07 | C04 | C05 | 113.8° | 118.0° |
| C07 | C04 | C03 | 122.6° | 124.1° |
| C04 | C07 | H5 | 108.0° | 109.4° |
| O06 | C05 | C04 | 109.3° | 109.5° |
| O06 | C05 | H3 | 109.5° | 109.4° |
| O06 | C05 | H4 | 109.5° | 109.5° |
| C05 | O06 | H18 | 109.5° | 114.0° |
| O21 | C20 | C22 | 104.1° | 109.7° |
| O21 | C20 | H13 | 113.1° | 109.7° |
| C20 | O21 | H23 | 109.5° | 114.1° |
| C20 | C22 | O23 | 105.7° | 109.6° |
| C20 | C22 | C02 | 111.1° | 108.6° |
| C22 | C20 | H13 | 111.2° | 109.8° |
| C20 | C22 | H14 | 108.8° | 109.6° |
| C05 | C04 | C03 | 122.2° | 117.9° |
| C04 | C05 | H3 | 109.6° | 109.5° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| C04 | C03 | C02 | 125.4° | 124.0° |
| C04 | C03 | H2 | 117.3° | 118.0° |
| O23 | C22 | C02 | 112.3° | 109.5° |
| O23 | C22 | H14 | 110.4° | 109.8° |
| C22 | O23 | H24 | 109.5° | 114.0° |
| C22 | C02 | C03 | 109.4° | 110.1° |
| C22 | C02 | N01 | 111.1° | 109.4° |
| C22 | C02 | H1 | 109.2° | 109.3° |
| C02 | C22 | H14 | 108.6° | 109.6° |
| C03 | C02 | N01 | 107.1° | 109.4° |
| C03 | C02 | H1 | 109.7° | 109.3° |
| C02 | C03 | H2 | 117.3° | 117.9° |
| N01 | C02 | H1 | 110.4° | 109.3° |
| C02 | N01 | H15 | 109.5° | 111.0° |
| C02 | N01 | H16 | 109.5° | 111.0° |
| H3 | C05 | H4 | 109.4° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H15 | N01 | H16 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C16 | H11 | 119.6° | 120.0° |
| O18 | C17 | C16 | H12 | 119.6° | 120.0° |
| O18 | C17 | C16 | C14 | 70.3° | 172.2° |
| O18 | C17 | C16 | O19 | 50.4° | 67.8° |
| O18 | C17 | C16 | H10 | 170.0° | 52.2° |
| O18 | C17 | H11 | H12 | 121.2° | 119.9° |
| O15 | C14 | C16 | C17 | 63.9° | 62.5° |
| O15 | C14 | C16 | C12 | 115.7° | 119.9° |
| O15 | C14 | C16 | H9 | 124.8° | 120.3° |
| O15 | C14 | C12 | H9 | 123.2° | 120.3° |
| O15 | C14 | C12 | O13 | 65.6° | 63.2° |
| O15 | C14 | C16 | O19 | 176.0° | 177.5° |
| O15 | C14 | C12 | C10 | 176.9° | 176.8° |
| O15 | C14 | C12 | H8 | 56.3° | 57.0° |
| O15 | C14 | C16 | H10 | 55.6° | 57.5° |
| C17 | C16 | C14 | O19 | 120.2° | 120.0° |
| C17 | C16 | C14 | H10 | 119.5° | 120.0° |
| C17 | C16 | C14 | C12 | 179.5° | 177.6° |
| C17 | C16 | O19 | H10 | 118.3° | 120.0° |
| C17 | C16 | O19 | C09 | 176.6° | 178.9° |
| C17 | C16 | C14 | H9 | 61.0° | 57.7° |
| C16 | C17 | H11 | H12 | 121.1° | 120.0° |
| C16 | C17 | O18 | H22 | 180.0° | 175.1° |
| C16 | C14 | C12 | H9 | 119.4° | 119.9° |
| C16 | C14 | C12 | O13 | 177.1° | 176.9° |
| C14 | C16 | O19 | H10 | 119.3° | 120.1° |
| C14 | C16 | O19 | C09 | 61.0° | 61.1° |
| C16 | C14 | C12 | C10 | 59.6° | 57.0° |
| C16 | C14 | C12 | H8 | 61.1° | 62.9° |
| C14 | C16 | C17 | H11 | 49.3° | 52.3° |
| C14 | C16 | C17 | H12 | 170.1° | 67.8° |
| C16 | C14 | O15 | H21 | 180.0° | 180.0° |
| C14 | C12 | O13 | C10 | 118.1° | 119.6° |
| C14 | C12 | O13 | H8 | 120.4° | 120.3° |
| C12 | C14 | C16 | O19 | 60.3° | 57.6° |
| C14 | C12 | C10 | H8 | 120.7° | 119.9° |
| C14 | C12 | C10 | C09 | 55.2° | 57.0° |
| C14 | C12 | C10 | O11 | 172.1° | 176.9° |
| C14 | C12 | C10 | H7 | 65.9° | 62.9° |
| C12 | C14 | C16 | H10 | 60.1° | 62.4° |
| C14 | C12 | O13 | H20 | 180.0° | 179.6° |
| C12 | C14 | O15 | H21 | 65.5° | 60.4° |
| O13 | C12 | C10 | H8 | 122.9° | 120.1° |
| O13 | C12 | C10 | C09 | 171.5° | 177.0° |
| O13 | C12 | C10 | O11 | 71.6° | 63.1° |
| O13 | C12 | C10 | H7 | 50.4° | 57.1° |
| O13 | C12 | C14 | H9 | 57.7° | 57.0° |
| C16 | O19 | C09 | C10 | 53.9° | 61.1° |
| C16 | O19 | C09 | O08 | 68.5° | 58.9° |
| C16 | O19 | C09 | H6 | 172.2° | 178.9° |
| O19 | C16 | C14 | H9 | 59.2° | 62.3° |
| O19 | C16 | C17 | H11 | 170.0° | 172.2° |
| O19 | C16 | C17 | H12 | 69.2° | 52.2° |
| O19 | C09 | C10 | C12 | 48.8° | 57.6° |
| O19 | C09 | C10 | O08 | 121.4° | 120.0° |
| O19 | C09 | C10 | H6 | 119.4° | 120.0° |
| O19 | C09 | C10 | O11 | 166.9° | 177.5° |
| O19 | C09 | O08 | H6 | 119.5° | 120.0° |
| O19 | C09 | O08 | C07 | 74.2° | 91.8° |
| O19 | C09 | C10 | H7 | 72.1° | 62.4° |
| C09 | O19 | C16 | H10 | 58.3° | 58.9° |
| C12 | C10 | C09 | O11 | 118.1° | 119.9° |
| C12 | C10 | C09 | H7 | 120.9° | 119.9° |
| C12 | C10 | O11 | H7 | 120.7° | 120.2° |
| C12 | C10 | C09 | O08 | 72.6° | 62.4° |
| C12 | C10 | C09 | H6 | 168.2° | 177.6° |
| C10 | C12 | C14 | H9 | 59.9° | 62.9° |
| C12 | C10 | O11 | H19 | 180.0° | 179.7° |
| C10 | C12 | O13 | H20 | 61.9° | 60.0° |
| C09 | C10 | O11 | H7 | 119.7° | 120.1° |
| C10 | C09 | O08 | H6 | 118.4° | 120.1° |
| C10 | C09 | O08 | C07 | 163.6° | 148.2° |
| C09 | C10 | C12 | H8 | 65.6° | 62.9° |
| C09 | C10 | O11 | H19 | 60.3° | 60.0° |
| O11 | C10 | C09 | O08 | 45.5° | 57.5° |
| O11 | C10 | C09 | H6 | 73.7° | 62.5° |
| O11 | C10 | C12 | H8 | 51.3° | 57.0° |
| C09 | O08 | C07 | C20 | 87.9° | 94.7° |
| C09 | O08 | C07 | C04 | 146.9° | 144.6° |
| C09 | O08 | C07 | H5 | 27.8° | 25.0° |
| O08 | C09 | C10 | H7 | 166.5° | 177.7° |
| O08 | C07 | C20 | C04 | 124.0° | 120.2° |
| O08 | C07 | C20 | H5 | 117.0° | 119.6° |
| O08 | C07 | C04 | H5 | 119.6° | 119.6° |
| O08 | C07 | C20 | O21 | 155.3° | 70.7° |
| O08 | C07 | C20 | C22 | 91.8° | 169.6° |
| O08 | C07 | C04 | C05 | 75.4° | 42.6° |
| O08 | C07 | C04 | C03 | 117.7° | 137.3° |
| C07 | O08 | C09 | H6 | 45.3° | 28.2° |
| O08 | C07 | C20 | H13 | 32.5° | 49.8° |
| C20 | C07 | C04 | H5 | 118.4° | 120.2° |
| C07 | C20 | O21 | C22 | 118.2° | 118.9° |
| C07 | C20 | O21 | H13 | 121.0° | 120.5° |
| C07 | C20 | C22 | H13 | 123.8° | 119.7° |
| C20 | C07 | C04 | C05 | 162.7° | 162.9° |
| C20 | C07 | C04 | C03 | 4.2° | 17.1° |
| C07 | C20 | C22 | O23 | 64.9° | 172.9° |
| C07 | C20 | C22 | C02 | 57.2° | 67.5° |
| C07 | C20 | C22 | H14 | 176.6° | 52.3° |
| C07 | C20 | O21 | H23 | 180.0° | 180.0° |
| C07 | C04 | C05 | O06 | 66.5° | 173.9° |
| C04 | C07 | C20 | O21 | 80.7° | 169.1° |
| C04 | C07 | C20 | C22 | 32.2° | 49.4° |
| C07 | C04 | C05 | C03 | 167.0° | 180.0° |
| C07 | C04 | C03 | C02 | 1.2° | 0.4° |
| C07 | C04 | C03 | H2 | 178.8° | 179.5° |
| C07 | C04 | C05 | H3 | 53.5° | 66.1° |
| C07 | C04 | C05 | H4 | 173.6° | 53.9° |
| C04 | C07 | C20 | H13 | 156.5° | 70.4° |
| O06 | C05 | C04 | H3 | 120.0° | 120.0° |
| O06 | C05 | C04 | H4 | 120.0° | 120.0° |
| O06 | C05 | C04 | C03 | 100.5° | 6.1° |
| O06 | C05 | H3 | H4 | 120.1° | 120.0° |
| O21 | C20 | C22 | H13 | 122.1° | 120.6° |
| O21 | C20 | C22 | O23 | 179.0° | 53.2° |
| O21 | C20 | C22 | C02 | 56.9° | 172.8° |
| O21 | C20 | C07 | H5 | 38.3° | 48.9° |
| O21 | C20 | C22 | H14 | 62.5° | 67.4° |
| C20 | C22 | O23 | C02 | 121.3° | 119.1° |
| C20 | C22 | O23 | H14 | 117.5° | 120.5° |
| C20 | C22 | C02 | H14 | 119.6° | 119.7° |
| C20 | C22 | C02 | C03 | 52.4° | 49.5° |
| C20 | C22 | C02 | N01 | 170.4° | 70.7° |
| C20 | C22 | C02 | H1 | 67.7° | 169.6° |
| C22 | C20 | C07 | H5 | 151.2° | 70.8° |
| C22 | C20 | O21 | H23 | 61.8° | 61.2° |
| C20 | C22 | O23 | H24 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 164.6° | 179.5° |
| C05 | C04 | C03 | H2 | 15.4° | 0.5° |
| C04 | C05 | H3 | H4 | 120.1° | 120.0° |
| C05 | C04 | C07 | H5 | 44.3° | 76.9° |
| C04 | C05 | O06 | H18 | 180.0° | 171.7° |
| C04 | C03 | C02 | C22 | 25.3° | 17.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | N01 | 145.8° | 103.2° |
| C04 | C03 | C02 | H1 | 94.5° | 137.2° |
| C03 | C04 | C05 | H3 | 139.5° | 113.9° |
| C03 | C04 | C05 | H4 | 19.5° | 126.1° |
| C03 | C04 | C07 | H5 | 122.6° | 103.1° |
| O23 | C22 | C02 | H14 | 122.3° | 120.6° |
| O23 | C22 | C02 | C03 | 65.8° | 169.2° |
| O23 | C22 | C02 | N01 | 52.2° | 49.0° |
| O23 | C22 | C02 | H1 | 174.2° | 70.7° |
| O23 | C22 | C20 | H13 | 58.9° | 67.4° |
| C22 | C02 | C03 | N01 | 120.5° | 120.2° |
| C22 | C02 | C03 | H1 | 119.8° | 120.1° |
| C22 | C02 | N01 | H1 | 121.3° | 119.7° |
| C22 | C02 | C03 | H2 | 154.7° | 162.9° |
| C02 | C22 | C20 | H13 | 179.0° | 52.3° |
| C22 | C02 | N01 | H15 | 180.0° | 179.7° |
| C22 | C02 | N01 | H16 | 60.0° | 55.7° |
| C02 | C22 | O23 | H24 | 58.7° | 61.0° |
| C03 | C02 | N01 | H1 | 119.3° | 119.7° |
| C03 | C02 | C22 | H14 | 171.9° | 70.3° |
| C03 | C02 | N01 | H15 | 60.6° | 59.7° |
| C03 | C02 | N01 | H16 | 179.4° | 176.3° |
| N01 | C02 | C03 | H2 | 34.2° | 76.9° |
| N01 | C02 | C22 | H14 | 70.1° | 169.5° |
| C02 | N01 | H15 | H16 | 120.0° | 124.0° |
| H1 | C02 | C03 | H2 | 85.6° | 42.8° |
| H1 | C02 | C22 | H14 | 51.9° | 49.8° |
| H1 | C02 | N01 | H15 | 58.7° | 60.0° |
| H1 | C02 | N01 | H16 | 61.3° | 64.0° |
| H3 | C05 | O06 | H18 | 60.0° | 68.3° |
| H4 | C05 | O06 | H18 | 60.1° | 51.7° |
| H5 | C07 | C20 | H13 | 84.5° | 169.4° |
| H6 | C09 | C10 | H7 | 47.3° | 57.6° |
| H7 | C10 | C12 | H8 | 173.4° | 177.2° |
| H7 | C10 | O11 | H19 | 59.3° | 60.1° |
| H8 | C12 | C14 | H9 | 179.5° | 177.2° |
| H8 | C12 | O13 | H20 | 59.6° | 60.1° |
| H9 | C14 | C16 | H10 | 179.6° | 177.7° |
| H9 | C14 | O15 | H21 | 56.5° | 59.8° |
| H10 | C16 | C17 | H11 | 70.4° | 67.8° |
| H10 | C16 | C17 | H12 | 50.4° | 172.2° |
| H11 | C17 | O18 | H22 | 60.4° | 64.9° |
| H12 | C17 | O18 | H22 | 60.4° | 55.1° |
| H13 | C20 | C22 | H14 | 59.6° | 172.0° |
| H13 | C20 | O21 | H23 | 59.0° | 59.5° |
| H14 | C22 | O23 | H24 | 62.5° | 59.5° |
