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 | 1.30Å | 1.46Å | |
| C02 | C01 | sing | 1.46Å | 1.62Å | |
| O03 | FE | sing | 1.98Å | 2.24Å | |
| C01 | C2 | sing | 1.53Å | 1.62Å | |
| O24 | C23 | sing | 1.32Å | 1.44Å | |
| O24 | FE | sing | 1.99Å | 2.22Å | |
| C23 | O25 | doub | 1.20Å | 1.45Å | |
| C23 | C22 | sing | 1.49Å | 1.58Å | |
| O08 | C2 | sing | 1.44Å | 1.46Å | |
| C2 | C06 | sing | 1.51Å | 1.64Å | |
| C2 | C09 | sing | 1.49Å | 1.59Å | |
| C22 | C1 | sing | 1.53Å | 1.57Å | |
| O11 | FE | sing | 1.98Å | 2.21Å | |
| O11 | C10 | sing | 1.36Å | 1.45Å | |
| O20 | FE | sing | 2.00Å | 2.22Å | |
| O20 | C19 | sing | 1.37Å | 1.49Å | |
| O13 | C06 | doub | 1.22Å | 1.51Å | |
| FE | O05 | sing | 1.96Å | 2.23Å | |
| FE | O14 | sing | 1.97Å | 2.25Å | |
| C06 | O05 | sing | 1.30Å | 1.44Å | |
| C09 | C10 | sing | 1.51Å | 1.59Å | |
| C10 | O12 | doub | 1.21Å | 1.49Å | |
| C19 | O21 | doub | 1.20Å | 1.45Å | |
| C19 | C18 | sing | 1.51Å | 1.62Å | |
| C1 | C18 | sing | 1.49Å | 1.62Å | |
| C1 | O17 | sing | 1.45Å | 1.50Å | |
| C1 | C15 | sing | 1.51Å | 1.60Å | |
| O26 | C15 | doub | 1.23Å | 1.47Å | |
| C15 | O14 | sing | 1.31Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| O08 | H3 | sing | 0.97Å | 0.95Å | |
| C09 | H4 | sing | 1.10Å | 1.10Å | |
| C09 | H5 | sing | 1.10Å | 1.10Å | |
| O17 | H6 | sing | 0.97Å | 0.95Å | |
| C18 | H7 | sing | 1.11Å | 1.10Å | |
| C18 | H8 | sing | 1.10Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C02 | O03 | 107.7° | 112.4° |
| O27 | C02 | C01 | 110.9° | 112.8° |
| O03 | C02 | C01 | 126.8° | 134.8° |
| C02 | O03 | FE | 96.5° | 117.1° |
| C02 | C01 | C2 | 130.9° | 108.6° |
| C02 | C01 | H1 | 103.9° | 110.1° |
| C02 | C01 | H2 | 103.9° | 110.1° |
| O03 | FE | O24 | 75.0° | 91.9° |
| O03 | FE | O11 | 106.9° | 75.9° |
| O03 | FE | O20 | 67.1° | 90.8° |
| O03 | FE | O05 | 108.6° | 91.2° |
| O03 | FE | O14 | 162.0° | 167.1° |
| C01 | C2 | O08 | 106.0° | 108.0° |
| C01 | C2 | C06 | 118.7° | 110.9° |
| C01 | C2 | C09 | 104.8° | 121.7° |
| C2 | C01 | H1 | 103.9° | 109.5° |
| C2 | C01 | H2 | 103.9° | 109.5° |
| C23 | O24 | FE | 109.6° | 112.6° |
| O24 | C23 | O25 | 106.7° | 122.7° |
| O24 | C23 | C22 | 135.6° | 122.0° |
| O24 | FE | O11 | 58.7° | 90.0° |
| O24 | FE | O20 | 113.7° | 72.3° |
| O24 | FE | O05 | 167.7° | 162.6° |
| O24 | FE | O14 | 99.7° | 87.8° |
| O25 | C23 | C22 | 105.0° | 115.3° |
| C23 | C22 | C1 | 123.7° | 106.9° |
| C23 | C22 | H9 | 105.8° | 109.0° |
| C23 | C22 | H10 | 105.8° | 109.1° |
| O08 | C2 | C06 | 115.7° | 108.0° |
| O08 | C2 | C09 | 111.0° | 107.3° |
| C2 | O08 | H3 | 109.5° | 114.1° |
| C06 | C2 | C09 | 100.0° | 100.1° |
| C2 | C06 | O13 | 121.9° | 116.3° |
| C2 | C06 | O05 | 125.4° | 124.8° |
| C2 | C09 | C10 | 119.4° | 120.5° |
| C2 | C09 | H4 | 106.9° | 106.8° |
| C2 | C09 | H5 | 106.9° | 107.1° |
| C22 | C1 | C18 | 107.9° | 123.0° |
| C22 | C1 | O17 | 105.1° | 106.7° |
| C22 | C1 | C15 | 108.8° | 112.0° |
| C1 | C22 | H9 | 105.8° | 110.5° |
| C1 | C22 | H10 | 105.8° | 110.6° |
| FE | O11 | C10 | 99.4° | 124.3° |
| O11 | FE | O20 | 172.0° | 157.6° |
| O11 | FE | O05 | 109.2° | 107.3° |
| O11 | FE | O14 | 83.9° | 91.2° |
| O11 | C10 | C09 | 129.7° | 117.6° |
| O11 | C10 | O12 | 116.5° | 122.1° |
| FE | O20 | C19 | 106.0° | 120.5° |
| O20 | FE | O05 | 78.2° | 90.5° |
| O20 | FE | O14 | 100.7° | 101.4° |
| O20 | C19 | O21 | 111.0° | 122.4° |
| O20 | C19 | C18 | 137.6° | 116.5° |
| O13 | C06 | O05 | 109.5° | 118.7° |
| O05 | FE | O14 | 80.2° | 93.0° |
| FE | O05 | C06 | 98.7° | 128.4° |
| FE | O14 | C15 | 105.7° | 127.3° |
| C09 | C10 | O12 | 113.7° | 120.3° |
| C10 | C09 | H4 | 106.9° | 107.9° |
| C10 | C09 | H5 | 106.9° | 107.6° |
| O21 | C19 | C18 | 107.7° | 121.1° |
| C19 | C18 | C1 | 123.7° | 123.0° |
| C19 | C18 | H7 | 105.8° | 106.9° |
| C19 | C18 | H8 | 105.8° | 107.5° |
| C18 | C1 | O17 | 118.2° | 106.0° |
| C18 | C1 | C15 | 103.6° | 101.3° |
| C1 | C18 | H7 | 105.8° | 106.2° |
| C1 | C18 | H8 | 105.8° | 106.7° |
| O17 | C1 | C15 | 113.0° | 106.8° |
| C1 | O17 | H6 | 109.5° | 114.0° |
| C1 | C15 | O26 | 113.1° | 115.5° |
| C1 | C15 | O14 | 134.9° | 127.6° |
| O26 | C15 | O14 | 109.1° | 116.9° |
| H1 | C01 | H2 | 109.4° | 109.1° |
| H4 | C09 | H5 | 109.4° | 106.1° |
| H7 | C18 | H8 | 109.5° | 105.3° |
| H9 | C22 | H10 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C02 | O03 | C01 | 135.0° | 179.8° |
| O27 | C02 | O03 | FE | 99.5° | 104.0° |
| O27 | C02 | C01 | C2 | 160.8° | 117.2° |
| O27 | C02 | C01 | H1 | 38.1° | 2.7° |
| O27 | C02 | C01 | H2 | 76.4° | 123.0° |
| O03 | C02 | C01 | C2 | 27.0° | 63.0° |
| C02 | O03 | FE | O24 | 77.0° | 130.5° |
| C02 | O03 | FE | O11 | 27.0° | 41.0° |
| C02 | O03 | FE | O20 | 158.6° | 157.1° |
| C02 | O03 | FE | O05 | 90.7° | 66.6° |
| C02 | O03 | FE | O14 | 152.2° | 42.1° |
| O03 | C02 | C01 | H1 | 95.8° | 177.1° |
| O03 | C02 | C01 | H2 | 149.8° | 56.8° |
| C01 | C02 | O03 | FE | 35.6° | 76.2° |
| C02 | C01 | C2 | H1 | 122.8° | 120.3° |
| C02 | C01 | C2 | H2 | 122.8° | 120.2° |
| C02 | C01 | C2 | O08 | 119.0° | 172.2° |
| C02 | C01 | C2 | C06 | 13.1° | 69.7° |
| C02 | C01 | C2 | C09 | 123.5° | 47.5° |
| C02 | C01 | H1 | H2 | 110.4° | 121.0° |
| O03 | FE | O24 | C23 | 102.2° | 113.4° |
| O03 | FE | O24 | O11 | 120.9° | 75.9° |
| O03 | FE | O24 | O20 | 56.1° | 90.2° |
| O03 | FE | O24 | O05 | 108.9° | 100.1° |
| O03 | FE | O24 | O14 | 162.4° | 167.1° |
| O03 | FE | O11 | O20 | 40.2° | 54.9° |
| O03 | FE | O11 | O05 | 117.3° | 86.8° |
| O03 | FE | O11 | O14 | 165.3° | 179.8° |
| O03 | FE | O11 | C10 | 119.5° | 98.4° |
| O03 | FE | O20 | O05 | 116.2° | 91.2° |
| O03 | FE | O20 | O14 | 166.2° | 175.7° |
| O03 | FE | O20 | C19 | 155.5° | 146.5° |
| O03 | FE | O05 | O14 | 163.8° | 167.7° |
| O03 | FE | O05 | C06 | 41.4° | 40.0° |
| O03 | FE | O14 | C15 | 30.9° | 130.0° |
| C01 | C2 | O08 | C06 | 133.8° | 120.0° |
| C01 | C2 | O08 | C09 | 113.3° | 132.9° |
| C01 | C2 | C06 | C09 | 113.1° | 129.8° |
| C01 | C2 | C06 | O13 | 81.6° | 98.1° |
| C01 | C2 | C06 | O05 | 76.1° | 85.3° |
| C01 | C2 | C09 | C10 | 34.2° | 11.5° |
| C2 | C01 | H1 | H2 | 110.4° | 119.7° |
| C01 | C2 | O08 | H3 | 180.0° | 180.0° |
| C01 | C2 | C09 | H4 | 87.2° | 134.9° |
| C01 | C2 | C09 | H5 | 155.6° | 111.8° |
| O24 | C23 | O25 | C22 | 148.6° | 178.2° |
| O24 | C23 | C22 | C1 | 62.0° | 75.0° |
| C23 | O24 | FE | O11 | 136.8° | 170.7° |
| C23 | O24 | FE | O20 | 46.1° | 23.2° |
| C23 | O24 | FE | O05 | 148.9° | 13.3° |
| C23 | O24 | FE | O14 | 60.2° | 79.5° |
| O24 | C23 | C22 | H9 | 59.9° | 165.5° |
| O24 | C23 | C22 | H10 | 176.0° | 44.5° |
| FE | O24 | C23 | O25 | 129.0° | 82.0° |
| FE | O24 | C23 | C22 | 5.0° | 96.0° |
| O24 | FE | O11 | O20 | 19.8° | 37.1° |
| O24 | FE | O11 | O05 | 177.3° | 178.8° |
| O24 | FE | O11 | O14 | 105.3° | 87.8° |
| O24 | FE | O11 | C10 | 179.5° | 169.6° |
| O24 | FE | O20 | O05 | 176.8° | 177.0° |
| O24 | FE | O20 | O14 | 105.7° | 83.9° |
| O24 | FE | O20 | C19 | 94.9° | 121.7° |
| O24 | FE | O05 | O14 | 90.9° | 92.0° |
| O24 | FE | O05 | C06 | 63.9° | 140.2° |
| O24 | FE | O14 | C15 | 40.4° | 41.1° |
| O25 | C23 | C22 | C1 | 72.4° | 103.1° |
| O25 | C23 | C22 | H9 | 165.7° | 16.3° |
| O25 | C23 | C22 | H10 | 49.6° | 137.3° |
| C23 | C22 | C1 | H9 | 121.9° | 118.5° |
| C23 | C22 | C1 | H10 | 121.9° | 118.6° |
| C23 | C22 | C1 | C18 | 121.7° | 49.5° |
| C23 | C22 | C1 | O17 | 111.4° | 172.1° |
| C23 | C22 | C1 | C15 | 9.9° | 71.5° |
| C23 | C22 | H9 | H10 | 113.6° | 120.0° |
| O08 | C2 | C06 | C09 | 119.2° | 112.0° |
| O08 | C2 | C06 | O13 | 46.1° | 20.1° |
| O08 | C2 | C06 | O05 | 156.2° | 156.5° |
| O08 | C2 | C09 | C10 | 148.2° | 136.5° |
| O08 | C2 | C01 | H1 | 118.2° | 51.9° |
| O08 | C2 | C01 | H2 | 3.7° | 67.6° |
| O08 | C2 | C09 | H4 | 26.8° | 100.1° |
| O08 | C2 | C09 | H5 | 90.4° | 13.2° |
| C2 | C06 | O13 | O05 | 160.9° | 176.8° |
| C2 | C06 | O05 | FE | 51.4° | 23.7° |
| C06 | C2 | C09 | C10 | 89.2° | 111.0° |
| C06 | C2 | C01 | H1 | 109.7° | 170.0° |
| C06 | C2 | C01 | H2 | 135.9° | 50.5° |
| C06 | C2 | O08 | H3 | 46.2° | 59.9° |
| C06 | C2 | C09 | H4 | 149.4° | 12.5° |
| C06 | C2 | C09 | H5 | 32.2° | 125.8° |
| C2 | C09 | C10 | O11 | 5.9° | 64.7° |
| C09 | C2 | C06 | O13 | 165.3° | 132.1° |
| C09 | C2 | C06 | O05 | 37.0° | 44.5° |
| C2 | C09 | C10 | H4 | 121.4° | 122.9° |
| C2 | C09 | C10 | H5 | 121.4° | 123.0° |
| C2 | C09 | C10 | O12 | 176.2° | 113.6° |
| C09 | C2 | C01 | H1 | 0.7° | 72.8° |
| C09 | C2 | C01 | H2 | 113.7° | 167.7° |
| C09 | C2 | O08 | H3 | 66.8° | 47.2° |
| C2 | C09 | H4 | H5 | 115.5° | 114.0° |
| C22 | C1 | C18 | C19 | 54.7° | 30.4° |
| C22 | C1 | C18 | O17 | 118.9° | 122.8° |
| C22 | C1 | C18 | C15 | 115.3° | 125.9° |
| C22 | C1 | O17 | C15 | 118.5° | 120.0° |
| C22 | C1 | C15 | O26 | 74.2° | 102.1° |
| C22 | C1 | C15 | O14 | 83.4° | 81.2° |
| C22 | C1 | O17 | H6 | 97.8° | 180.0° |
| C22 | C1 | C18 | H7 | 176.7° | 153.8° |
| C22 | C1 | C18 | H8 | 67.2° | 94.3° |
| C1 | C22 | H9 | H10 | 113.6° | 122.8° |
| O11 | FE | O20 | O05 | 158.4° | 143.7° |
| O11 | FE | O20 | O14 | 124.1° | 123.1° |
| O11 | FE | O20 | C19 | 113.4° | 160.9° |
| O11 | FE | O05 | O14 | 80.0° | 92.1° |
| O11 | FE | O05 | C06 | 74.8° | 35.6° |
| FE | O11 | C10 | C09 | 57.7° | 11.1° |
| FE | O11 | C10 | O12 | 124.5° | 170.7° |
| O11 | FE | O14 | C15 | 97.2° | 131.0° |
| C10 | O11 | FE | O20 | 159.7° | 153.4° |
| C10 | O11 | FE | O05 | 2.2° | 11.7° |
| C10 | O11 | FE | O14 | 75.2° | 81.8° |
| O11 | C10 | C09 | O12 | 177.9° | 178.2° |
| O11 | C10 | C09 | H4 | 115.5° | 58.3° |
| O11 | C10 | C09 | H5 | 127.3° | 172.4° |
| O20 | FE | O05 | O14 | 103.2° | 101.5° |
| O20 | FE | O05 | C06 | 102.1° | 130.7° |
| FE | O20 | C19 | O21 | 149.8° | 124.3° |
| FE | O20 | C19 | C18 | 55.7° | 55.6° |
| O20 | FE | O14 | C15 | 76.1° | 30.4° |
| C19 | O20 | FE | O05 | 88.3° | 55.4° |
| C19 | O20 | FE | O14 | 10.8° | 37.8° |
| O20 | C19 | O21 | C18 | 162.2° | 180.0° |
| O20 | C19 | C18 | C1 | 23.2° | 23.9° |
| O20 | C19 | C18 | H7 | 145.1° | 99.1° |
| O20 | C19 | C18 | H8 | 98.8° | 148.3° |
| O13 | C06 | O05 | FE | 108.6° | 159.8° |
| O05 | FE | O14 | C15 | 152.0° | 121.6° |
| O14 | FE | O05 | C06 | 154.7° | 127.8° |
| FE | O14 | C15 | C1 | 53.7° | 21.8° |
| FE | O14 | C15 | O26 | 104.6° | 161.6° |
| C10 | C09 | H4 | H5 | 115.5° | 115.1° |
| O12 | C10 | C09 | H4 | 62.3° | 123.5° |
| O12 | C10 | C09 | H5 | 54.8° | 9.4° |
| O21 | C19 | C18 | C1 | 178.2° | 156.1° |
| O21 | C19 | C18 | H7 | 59.9° | 80.8° |
| O21 | C19 | C18 | H8 | 56.3° | 31.8° |
| C19 | C18 | C1 | H7 | 121.9° | 123.4° |
| C19 | C18 | C1 | H8 | 121.9° | 124.7° |
| C19 | C18 | C1 | O17 | 173.6° | 153.3° |
| C19 | C18 | C1 | C15 | 60.5° | 95.4° |
| C19 | C18 | H7 | H8 | 113.6° | 114.1° |
| C18 | C1 | O17 | C15 | 121.1° | 107.4° |
| C18 | C1 | C15 | O26 | 171.1° | 125.1° |
| C18 | C1 | C15 | O14 | 31.2° | 51.6° |
| C18 | C1 | O17 | H6 | 141.8° | 47.4° |
| C1 | C18 | H7 | H8 | 113.6° | 113.0° |
| C18 | C1 | C22 | H9 | 0.2° | 69.0° |
| C18 | C1 | C22 | H10 | 116.4° | 168.2° |
| O17 | C1 | C15 | O26 | 42.1° | 14.4° |
| O17 | C1 | C15 | O14 | 160.3° | 162.4° |
| O17 | C1 | C18 | H7 | 64.5° | 83.4° |
| O17 | C1 | C18 | H8 | 51.7° | 28.6° |
| O17 | C1 | C22 | H9 | 126.7° | 53.6° |
| O17 | C1 | C22 | H10 | 10.5° | 69.3° |
| C1 | C15 | O26 | O14 | 163.4° | 177.1° |
| C15 | C1 | O17 | H6 | 20.7° | 60.0° |
| C15 | C1 | C18 | H7 | 61.4° | 27.9° |
| C15 | C1 | C18 | H8 | 177.5° | 139.9° |
| C15 | C1 | C22 | H9 | 112.0° | 170.1° |
| C15 | C1 | C22 | H10 | 131.8° | 47.2° |
