0KA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S3 | FE3 | sing | 2.21Å | 2.21Å | |
| S3 | AG1 | sing | 2.79Å | 2.79Å | |
| S3 | FE2 | sing | 2.17Å | 2.17Å | |
| FE3 | S2 | sing | 2.31Å | 2.31Å | |
| FE3 | S1 | sing | 2.35Å | 2.35Å | |
| AG1 | S1 | sing | 2.56Å | 2.56Å | |
| AG1 | S4 | sing | 2.77Å | 2.77Å | |
| S2 | FE2 | sing | 2.24Å | 2.24Å | |
| S2 | FE1 | sing | 2.33Å | 2.33Å | |
| FE2 | S4 | sing | 2.26Å | 2.26Å | |
| FE1 | S4 | sing | 2.31Å | 2.31Å | |
| S1 | FE1 | sing | 2.10Å | 2.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE3 | S3 | AG1 | 73.5° | 73.5° |
| FE3 | S3 | FE2 | 75.6° | 75.6° |
| S3 | FE3 | S2 | 98.1° | 98.1° |
| S3 | FE3 | S1 | 117.1° | 117.1° |
| AG1 | S3 | FE2 | 81.4° | 81.4° |
| S3 | AG1 | S1 | 93.3° | 93.3° |
| S3 | AG1 | S4 | 83.2° | 83.2° |
| S3 | FE2 | S2 | 101.6° | 101.6° |
| S3 | FE2 | S4 | 112.6° | 112.6° |
| S2 | FE3 | S1 | 103.1° | 103.1° |
| FE3 | S2 | FE2 | 72.3° | 72.3° |
| FE3 | S2 | FE1 | 67.8° | 67.8° |
| FE3 | S1 | AG1 | 76.0° | 76.0° |
| FE3 | S1 | FE1 | 70.8° | 70.8° |
| S1 | AG1 | S4 | 86.5° | 86.5° |
| AG1 | S1 | FE1 | 83.5° | 83.5° |
| AG1 | S4 | FE2 | 80.4° | 80.4° |
| AG1 | S4 | FE1 | 75.3° | 75.3° |
| FE2 | S2 | FE1 | 70.4° | 70.4° |
| S2 | FE2 | S4 | 108.8° | 108.8° |
| S2 | FE1 | S4 | 104.0° | 104.0° |
| S2 | FE1 | S1 | 110.9° | 110.9° |
| FE2 | S4 | FE1 | 70.3° | 70.3° |
| S4 | FE1 | S1 | 111.3° | 111.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE3 | S3 | AG1 | FE2 | 77.4° | 77.4° |
| S3 | FE3 | S2 | S1 | 120.4° | 120.4° |
| FE3 | S3 | AG1 | S1 | 1.7° | 1.7° |
| FE3 | S3 | AG1 | S4 | 87.7° | 87.7° |
| FE3 | S3 | FE2 | S2 | 27.5° | 27.5° |
| S3 | FE3 | S2 | FE1 | 101.3° | 101.3° |
| FE3 | S3 | FE2 | S4 | 88.7° | 88.7° |
| S3 | FE3 | S1 | FE1 | 85.7° | 85.7° |
| AG1 | S3 | FE3 | S2 | 111.4° | 111.4° |
| S3 | AG1 | S1 | S4 | 82.9° | 82.9° |
| AG1 | S3 | FE2 | S2 | 102.5° | 102.5° |
| AG1 | S3 | FE2 | S4 | 13.6° | 13.6° |
| S3 | AG1 | S4 | FE1 | 81.9° | 81.9° |
| S3 | AG1 | S1 | FE1 | 70.3° | 70.3° |
| FE2 | S3 | FE3 | S1 | 83.1° | 83.1° |
| FE2 | S3 | AG1 | S1 | 75.7° | 75.7° |
| S3 | FE2 | S2 | S4 | 118.9° | 118.9° |
| S3 | FE2 | S2 | FE1 | 98.7° | 98.7° |
| S3 | FE2 | S4 | FE1 | 91.5° | 91.5° |
| S2 | FE3 | S1 | AG1 | 108.6° | 108.6° |
| FE3 | S2 | FE2 | FE1 | 72.1° | 72.1° |
| FE3 | S2 | FE2 | S4 | 92.3° | 92.3° |
| FE3 | S2 | FE1 | S4 | 97.4° | 97.4° |
| S2 | FE3 | S1 | FE1 | 20.7° | 20.7° |
| FE3 | S1 | AG1 | FE1 | 71.8° | 71.8° |
| FE3 | S1 | AG1 | S4 | 84.5° | 84.5° |
| S1 | FE3 | S2 | FE2 | 94.6° | 94.6° |
| FE3 | S1 | FE1 | S4 | 93.7° | 93.7° |
| AG1 | S1 | FE1 | S2 | 98.9° | 98.9° |
| S1 | AG1 | S4 | FE2 | 83.8° | 83.8° |
| S1 | AG1 | S4 | FE1 | 11.8° | 11.8° |
| AG1 | S4 | FE2 | S2 | 98.1° | 98.1° |
| AG1 | S4 | FE1 | S2 | 104.0° | 104.0° |
| AG1 | S4 | FE2 | FE1 | 77.7° | 77.7° |
| FE2 | S2 | FE1 | S4 | 19.2° | 19.2° |
| FE2 | S2 | FE1 | S1 | 100.6° | 100.6° |
| S2 | FE1 | S4 | S1 | 119.5° | 119.5° |
| FE2 | S4 | FE1 | S1 | 100.4° | 100.4° |
