6ZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C02 | doub | 1.25Å | 1.48Å | |
| C02 | O03 | sing | 1.26Å | 1.46Å | |
| C02 | C01 | sing | 1.53Å | 1.62Å | |
| O03 | FE | sing | 2.64Å | 2.24Å | |
| C01 | C2 | sing | 1.53Å | 1.62Å | |
| O24 | C23 | sing | 1.26Å | 1.44Å | |
| O24 | FE | sing | 2.64Å | 2.22Å | |
| C23 | O25 | doub | 1.25Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.58Å | |
| O08 | C2 | sing | 1.42Å | 1.46Å | |
| C2 | C06 | sing | 1.56Å | 1.64Å | |
| C2 | C09 | sing | 1.54Å | 1.59Å | |
| C22 | C1 | sing | 1.53Å | 1.57Å | |
| O11 | FE | sing | 2.70Å | 2.21Å | |
| O11 | C10 | sing | 1.27Å | 1.45Å | |
| O20 | FE | sing | 2.69Å | 2.22Å | |
| O20 | C19 | sing | 1.27Å | 1.49Å | |
| O13 | C06 | doub | 1.26Å | 1.51Å | |
| FE | O05 | sing | 1.83Å | 2.23Å | |
| FE | O14 | sing | 1.84Å | 2.25Å | |
| C06 | O05 | sing | 1.25Å | 1.44Å | |
| C09 | C10 | sing | 1.52Å | 1.59Å | |
| C10 | O12 | doub | 1.25Å | 1.49Å | |
| C19 | O21 | doub | 1.25Å | 1.45Å | |
| C19 | C18 | sing | 1.52Å | 1.62Å | |
| C1 | C18 | sing | 1.54Å | 1.62Å | |
| C1 | O17 | sing | 1.42Å | 1.50Å | |
| C1 | C15 | sing | 1.55Å | 1.60Å | |
| O26 | C15 | doub | 1.26Å | 1.47Å | |
| C15 | O14 | sing | 1.25Å | 1.45Å | |
| C01 | H1 | sing | 0.98Å | 1.10Å | |
| C01 | H2 | sing | 0.98Å | 1.10Å | |
| O08 | H3 | sing | 0.85Å | 0.95Å | |
| C09 | H4 | sing | 0.98Å | 1.10Å | |
| C09 | H5 | sing | 0.98Å | 1.10Å | |
| O17 | H6 | sing | 0.85Å | 0.95Å | |
| C18 | H7 | sing | 0.98Å | 1.10Å | |
| C18 | H8 | sing | 0.98Å | 1.10Å | |
| C22 | H9 | sing | 0.98Å | 1.10Å | |
| C22 | H10 | sing | 0.98Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C02 | O03 | 107.7° | 123.6° |
| O27 | C02 | C01 | 110.9° | 117.9° |
| O03 | C02 | C01 | 126.8° | 118.4° |
| C02 | O03 | FE | 96.5° | 123.1° |
| C02 | C01 | C2 | 130.9° | 113.3° |
| C02 | C01 | H1 | 103.9° | 108.8° |
| C02 | C01 | H2 | 103.9° | 108.6° |
| O03 | FE | O24 | 75.0° | 76.6° |
| O03 | FE | O11 | 106.9° | 122.8° |
| O03 | FE | O20 | 67.1° | 99.3° |
| O03 | FE | O05 | 108.6° | 86.9° |
| O03 | FE | O14 | 162.0° | 157.8° |
| C01 | C2 | O08 | 106.0° | 99.1° |
| C01 | C2 | C06 | 118.7° | 108.7° |
| C01 | C2 | C09 | 104.8° | 118.6° |
| C2 | C01 | H1 | 103.9° | 109.1° |
| C2 | C01 | H2 | 103.9° | 109.1° |
| C23 | O24 | FE | 109.6° | 125.3° |
| O24 | C23 | O25 | 106.7° | 123.5° |
| O24 | C23 | C22 | 135.6° | 118.9° |
| O24 | FE | O11 | 58.7° | 152.1° |
| O24 | FE | O20 | 113.7° | 122.8° |
| O24 | FE | O05 | 167.7° | 78.9° |
| O24 | FE | O14 | 99.7° | 82.2° |
| O25 | C23 | C22 | 105.0° | 117.6° |
| C23 | C22 | C1 | 123.7° | 113.2° |
| C23 | C22 | H9 | 105.8° | 108.7° |
| C23 | C22 | H10 | 105.8° | 108.8° |
| O08 | C2 | C06 | 115.7° | 115.3° |
| O08 | C2 | C09 | 111.0° | 106.4° |
| C2 | O08 | H3 | 109.5° | 117.9° |
| C06 | C2 | C09 | 100.0° | 108.8° |
| C2 | C06 | O13 | 121.9° | 117.7° |
| C2 | C06 | O05 | 125.4° | 118.3° |
| C2 | C09 | C10 | 119.4° | 112.0° |
| C2 | C09 | H4 | 106.9° | 109.3° |
| C2 | C09 | H5 | 106.9° | 109.2° |
| C22 | C1 | C18 | 107.9° | 118.8° |
| C22 | C1 | O17 | 105.1° | 98.3° |
| C22 | C1 | C15 | 108.8° | 108.7° |
| C1 | C22 | H9 | 105.8° | 109.1° |
| C1 | C22 | H10 | 105.8° | 109.1° |
| FE | O11 | C10 | 99.4° | 125.5° |
| O11 | FE | O20 | 172.0° | 76.8° |
| O11 | FE | O05 | 109.2° | 82.3° |
| O11 | FE | O14 | 83.9° | 79.4° |
| O11 | C10 | C09 | 129.7° | 116.9° |
| O11 | C10 | O12 | 116.5° | 124.0° |
| FE | O20 | C19 | 106.0° | 123.8° |
| O20 | FE | O05 | 78.2° | 158.2° |
| O20 | FE | O14 | 100.7° | 86.2° |
| O20 | C19 | O21 | 111.0° | 124.2° |
| O20 | C19 | C18 | 137.6° | 116.5° |
| O13 | C06 | O05 | 109.5° | 124.0° |
| O05 | FE | O14 | 80.2° | 95.9° |
| FE | O05 | C06 | 98.7° | 109.9° |
| FE | O14 | C15 | 105.7° | 110.2° |
| C09 | C10 | O12 | 113.7° | 119.1° |
| C10 | C09 | H4 | 106.9° | 109.1° |
| C10 | C09 | H5 | 106.9° | 109.0° |
| O21 | C19 | C18 | 107.7° | 119.3° |
| C19 | C18 | C1 | 123.7° | 112.0° |
| C19 | C18 | H7 | 105.8° | 109.0° |
| C19 | C18 | H8 | 105.8° | 108.9° |
| C18 | C1 | O17 | 118.2° | 106.9° |
| C18 | C1 | C15 | 103.6° | 108.9° |
| C1 | C18 | H7 | 105.8° | 109.3° |
| C1 | C18 | H8 | 105.8° | 109.3° |
| O17 | C1 | C15 | 113.0° | 115.2° |
| C1 | O17 | H6 | 109.5° | 117.9° |
| C1 | C15 | O26 | 113.1° | 117.7° |
| C1 | C15 | O14 | 134.9° | 118.3° |
| O26 | C15 | O14 | 109.1° | 124.0° |
| H1 | C01 | H2 | 109.4° | 107.8° |
| H4 | C09 | H5 | 109.4° | 108.2° |
| H7 | C18 | H8 | 109.5° | 108.2° |
| H9 | C22 | H10 | 109.5° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C02 | O03 | C01 | 135.0° | 180.0° |
| O27 | C02 | O03 | FE | 99.5° | 156.0° |
| O27 | C02 | C01 | C2 | 160.8° | 158.3° |
| O27 | C02 | C01 | H1 | 38.1° | 36.8° |
| O27 | C02 | C01 | H2 | 76.4° | 80.3° |
| O03 | C02 | C01 | C2 | 27.0° | 21.7° |
| C02 | O03 | FE | O24 | 77.0° | 126.8° |
| C02 | O03 | FE | O11 | 27.0° | 31.3° |
| C02 | O03 | FE | O20 | 158.6° | 111.5° |
| C02 | O03 | FE | O05 | 90.7° | 47.5° |
| C02 | O03 | FE | O14 | 152.2° | 145.4° |
| O03 | C02 | C01 | H1 | 95.8° | 143.2° |
| O03 | C02 | C01 | H2 | 149.8° | 99.7° |
| C01 | C02 | O03 | FE | 35.6° | 24.0° |
| C02 | C01 | C2 | H1 | 122.8° | 121.3° |
| C02 | C01 | C2 | H2 | 122.8° | 121.1° |
| C02 | C01 | C2 | O08 | 119.0° | 54.7° |
| C02 | C01 | C2 | C06 | 13.1° | 66.1° |
| C02 | C01 | C2 | C09 | 123.5° | 169.0° |
| C02 | C01 | H1 | H2 | 110.4° | 117.6° |
| O03 | FE | O24 | C23 | 102.2° | 113.6° |
| O03 | FE | O24 | O11 | 120.9° | 138.0° |
| O03 | FE | O24 | O20 | 56.1° | 92.6° |
| O03 | FE | O24 | O05 | 108.9° | 89.4° |
| O03 | FE | O24 | O14 | 162.4° | 173.0° |
| O03 | FE | O11 | O20 | 40.2° | 92.7° |
| O03 | FE | O11 | O05 | 117.3° | 81.2° |
| O03 | FE | O11 | O14 | 165.3° | 178.7° |
| O03 | FE | O11 | C10 | 119.5° | 27.5° |
| O03 | FE | O20 | O05 | 116.2° | 105.2° |
| O03 | FE | O20 | O14 | 166.2° | 158.3° |
| O03 | FE | O20 | C19 | 155.5° | 114.6° |
| O03 | FE | O05 | O14 | 163.8° | 157.9° |
| O03 | FE | O05 | C06 | 41.4° | 62.4° |
| O03 | FE | O14 | C15 | 30.9° | 46.5° |
| C01 | C2 | O08 | C06 | 133.8° | 115.8° |
| C01 | C2 | O08 | C09 | 113.3° | 123.5° |
| C01 | C2 | C06 | C09 | 113.1° | 130.5° |
| C01 | C2 | C06 | O13 | 81.6° | 67.3° |
| C01 | C2 | C06 | O05 | 76.1° | 112.4° |
| C01 | C2 | C09 | C10 | 34.2° | 172.3° |
| C2 | C01 | H1 | H2 | 110.4° | 118.4° |
| C01 | C2 | O08 | H3 | 180.0° | 131.9° |
| C01 | C2 | C09 | H4 | 87.2° | 66.7° |
| C01 | C2 | C09 | H5 | 155.6° | 51.5° |
| O24 | C23 | O25 | C22 | 148.6° | 179.9° |
| O24 | C23 | C22 | C1 | 62.0° | 13.6° |
| C23 | O24 | FE | O11 | 136.8° | 108.4° |
| C23 | O24 | FE | O20 | 46.1° | 21.1° |
| C23 | O24 | FE | O05 | 148.9° | 157.0° |
| C23 | O24 | FE | O14 | 60.2° | 59.4° |
| O24 | C23 | C22 | H9 | 59.9° | 107.7° |
| O24 | C23 | C22 | H10 | 176.0° | 135.1° |
| FE | O24 | C23 | O25 | 129.0° | 169.6° |
| FE | O24 | C23 | C22 | 5.0° | 10.5° |
| O24 | FE | O11 | O20 | 19.8° | 138.1° |
| O24 | FE | O11 | O05 | 177.3° | 48.0° |
| O24 | FE | O11 | O14 | 105.3° | 49.5° |
| O24 | FE | O11 | C10 | 179.5° | 101.7° |
| O24 | FE | O20 | O05 | 176.8° | 174.8° |
| O24 | FE | O20 | O14 | 105.7° | 78.3° |
| O24 | FE | O20 | C19 | 94.9° | 34.6° |
| O24 | FE | O05 | O14 | 90.9° | 80.9° |
| O24 | FE | O05 | C06 | 63.9° | 139.4° |
| O24 | FE | O14 | C15 | 40.4° | 64.8° |
| O25 | C23 | C22 | C1 | 72.4° | 166.5° |
| O25 | C23 | C22 | H9 | 165.7° | 72.2° |
| O25 | C23 | C22 | H10 | 49.6° | 45.0° |
| C23 | C22 | C1 | H9 | 121.9° | 121.2° |
| C23 | C22 | C1 | H10 | 121.9° | 121.3° |
| C23 | C22 | C1 | C18 | 121.7° | 169.5° |
| C23 | C22 | C1 | O17 | 111.4° | 55.0° |
| C23 | C22 | C1 | C15 | 9.9° | 65.3° |
| C23 | C22 | H9 | H10 | 113.6° | 117.8° |
| O08 | C2 | C06 | C09 | 119.2° | 119.4° |
| O08 | C2 | C06 | O13 | 46.1° | 177.5° |
| O08 | C2 | C06 | O05 | 156.2° | 2.3° |
| O08 | C2 | C09 | C10 | 148.2° | 62.0° |
| O08 | C2 | C01 | H1 | 118.2° | 176.0° |
| O08 | C2 | C01 | H2 | 3.7° | 66.4° |
| O08 | C2 | C09 | H4 | 26.8° | 177.0° |
| O08 | C2 | C09 | H5 | 90.4° | 58.8° |
| C2 | C06 | O13 | O05 | 160.9° | 179.7° |
| C2 | C06 | O05 | FE | 51.4° | 0.6° |
| C06 | C2 | C09 | C10 | 89.2° | 62.8° |
| C06 | C2 | C01 | H1 | 109.7° | 55.3° |
| C06 | C2 | C01 | H2 | 135.9° | 172.8° |
| C06 | C2 | O08 | H3 | 46.2° | 112.3° |
| C06 | C2 | C09 | H4 | 149.4° | 58.2° |
| C06 | C2 | C09 | H5 | 32.2° | 176.4° |
| C2 | C09 | C10 | O11 | 5.9° | 21.0° |
| C09 | C2 | C06 | O13 | 165.3° | 63.2° |
| C09 | C2 | C06 | O05 | 37.0° | 117.1° |
| C2 | C09 | C10 | H4 | 121.4° | 121.2° |
| C2 | C09 | C10 | H5 | 121.4° | 120.9° |
| C2 | C09 | C10 | O12 | 176.2° | 159.1° |
| C09 | C2 | C01 | H1 | 0.7° | 69.6° |
| C09 | C2 | C01 | H2 | 113.7° | 47.9° |
| C09 | C2 | O08 | H3 | 66.8° | 8.4° |
| C2 | C09 | H4 | H5 | 115.5° | 118.8° |
| C22 | C1 | C18 | C19 | 54.7° | 170.4° |
| C22 | C1 | C18 | O17 | 118.9° | 109.8° |
| C22 | C1 | C18 | C15 | 115.3° | 125.1° |
| C22 | C1 | O17 | C15 | 118.5° | 115.3° |
| C22 | C1 | C15 | O26 | 74.2° | 67.0° |
| C22 | C1 | C15 | O14 | 83.4° | 112.6° |
| C22 | C1 | O17 | H6 | 97.8° | 130.2° |
| C22 | C1 | C18 | H7 | 176.7° | 68.7° |
| C22 | C1 | C18 | H8 | 67.2° | 49.6° |
| C1 | C22 | H9 | H10 | 113.6° | 118.4° |
| O11 | FE | O20 | O05 | 158.4° | 16.5° |
| O11 | FE | O20 | O14 | 124.1° | 79.9° |
| O11 | FE | O20 | C19 | 113.4° | 123.7° |
| O11 | FE | O05 | O14 | 80.0° | 78.4° |
| O11 | FE | O05 | C06 | 74.8° | 61.4° |
| FE | O11 | C10 | C09 | 57.7° | 19.9° |
| FE | O11 | C10 | O12 | 124.5° | 160.2° |
| O11 | FE | O14 | C15 | 97.2° | 136.3° |
| C10 | O11 | FE | O20 | 159.7° | 120.1° |
| C10 | O11 | FE | O05 | 2.2° | 53.8° |
| C10 | O11 | FE | O14 | 75.2° | 151.3° |
| O11 | C10 | C09 | O12 | 177.9° | 180.0° |
| O11 | C10 | C09 | H4 | 115.5° | 142.1° |
| O11 | C10 | C09 | H5 | 127.3° | 100.0° |
| O20 | FE | O05 | O14 | 103.2° | 94.6° |
| O20 | FE | O05 | C06 | 102.1° | 45.1° |
| FE | O20 | C19 | O21 | 149.8° | 150.4° |
| FE | O20 | C19 | C18 | 55.7° | 29.5° |
| O20 | FE | O14 | C15 | 76.1° | 59.0° |
| C19 | O20 | FE | O05 | 88.3° | 140.2° |
| C19 | O20 | FE | O14 | 10.8° | 43.7° |
| O20 | C19 | O21 | C18 | 162.2° | 179.9° |
| O20 | C19 | C18 | C1 | 23.2° | 26.0° |
| O20 | C19 | C18 | H7 | 145.1° | 147.1° |
| O20 | C19 | C18 | H8 | 98.8° | 95.0° |
| O13 | C06 | O05 | FE | 108.6° | 179.6° |
| O05 | FE | O14 | C15 | 152.0° | 142.7° |
| O14 | FE | O05 | C06 | 154.7° | 139.7° |
| FE | O14 | C15 | C1 | 53.7° | 1.7° |
| FE | O14 | C15 | O26 | 104.6° | 178.9° |
| C10 | C09 | H4 | H5 | 115.5° | 118.4° |
| O12 | C10 | C09 | H4 | 62.3° | 37.9° |
| O12 | C10 | C09 | H5 | 54.8° | 80.0° |
| O21 | C19 | C18 | C1 | 178.2° | 153.9° |
| O21 | C19 | C18 | H7 | 59.9° | 32.8° |
| O21 | C19 | C18 | H8 | 56.3° | 85.1° |
| C19 | C18 | C1 | H7 | 121.9° | 121.0° |
| C19 | C18 | C1 | H8 | 121.9° | 120.8° |
| C19 | C18 | C1 | O17 | 173.6° | 60.5° |
| C19 | C18 | C1 | C15 | 60.5° | 64.5° |
| C19 | C18 | H7 | H8 | 113.6° | 118.3° |
| C18 | C1 | O17 | C15 | 121.1° | 121.1° |
| C18 | C1 | C15 | O26 | 171.1° | 63.9° |
| C18 | C1 | C15 | O14 | 31.2° | 116.6° |
| C18 | C1 | O17 | H6 | 141.8° | 6.6° |
| C1 | C18 | H7 | H8 | 113.6° | 118.9° |
| C18 | C1 | C22 | H9 | 0.2° | 48.3° |
| C18 | C1 | C22 | H10 | 116.4° | 69.2° |
| O17 | C1 | C15 | O26 | 42.1° | 176.1° |
| O17 | C1 | C15 | O14 | 160.3° | 3.4° |
| O17 | C1 | C18 | H7 | 64.5° | 178.5° |
| O17 | C1 | C18 | H8 | 51.7° | 60.3° |
| O17 | C1 | C22 | H9 | 126.7° | 66.2° |
| O17 | C1 | C22 | H10 | 10.5° | 176.3° |
| C1 | C15 | O26 | O14 | 163.4° | 179.5° |
| C15 | C1 | O17 | H6 | 20.7° | 114.4° |
| C15 | C1 | C18 | H7 | 61.4° | 56.5° |
| C15 | C1 | C18 | H8 | 177.5° | 174.7° |
| C15 | C1 | C22 | H9 | 112.0° | 173.5° |
| C15 | C1 | C22 | H10 | 131.8° | 56.0° |






