0KA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S3 | FE3 | sing | 2.29Å | 2.21Å | |
| S3 | AG1 | sing | 2.55Å | 2.79Å | |
| S3 | FE2 | sing | 2.28Å | 2.17Å | |
| FE3 | S2 | sing | 2.27Å | 2.31Å | |
| FE3 | S1 | sing | 2.29Å | 2.35Å | |
| AG1 | S1 | sing | 2.55Å | 2.56Å | |
| AG1 | S4 | sing | 2.55Å | 2.77Å | |
| S2 | FE2 | sing | 2.28Å | 2.24Å | |
| S2 | FE1 | sing | 2.27Å | 2.33Å | |
| FE2 | S4 | sing | 2.29Å | 2.26Å | |
| FE1 | S4 | sing | 2.29Å | 2.31Å | |
| S1 | FE1 | sing | 2.29Å | 2.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE3 | S3 | AG1 | 73.5° | 73.7° |
| FE3 | S3 | FE2 | 75.6° | 69.8° |
| S3 | FE3 | S2 | 98.1° | 105.8° |
| S3 | FE3 | S1 | 117.1° | 113.0° |
| AG1 | S3 | FE2 | 81.4° | 73.8° |
| S3 | AG1 | S1 | 93.3° | 96.6° |
| S3 | AG1 | S4 | 83.2° | 96.5° |
| S3 | FE2 | S2 | 101.6° | 105.9° |
| S3 | FE2 | S4 | 112.6° | 113.1° |
| S2 | FE3 | S1 | 103.1° | 105.8° |
| FE3 | S2 | FE2 | 72.3° | 69.9° |
| FE3 | S2 | FE1 | 67.8° | 70.1° |
| FE3 | S1 | AG1 | 76.0° | 73.7° |
| FE3 | S1 | FE1 | 70.8° | 69.6° |
| S1 | AG1 | S4 | 86.5° | 96.7° |
| AG1 | S1 | FE1 | 83.5° | 73.6° |
| AG1 | S4 | FE2 | 80.4° | 73.6° |
| AG1 | S4 | FE1 | 75.3° | 73.6° |
| FE2 | S2 | FE1 | 70.4° | 70.0° |
| S2 | FE2 | S4 | 108.8° | 105.8° |
| S2 | FE1 | S4 | 104.0° | 106.1° |
| S2 | FE1 | S1 | 110.9° | 105.8° |
| FE2 | S4 | FE1 | 70.3° | 69.6° |
| S4 | FE1 | S1 | 111.3° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE3 | S3 | AG1 | FE2 | 77.4° | 73.2° |
| S3 | FE3 | S2 | S1 | 120.4° | 120.2° |
| FE3 | S3 | AG1 | S1 | 1.7° | 12.1° |
| FE3 | S3 | AG1 | S4 | 87.7° | 85.4° |
| FE3 | S3 | FE2 | S2 | 27.5° | 22.4° |
| S3 | FE3 | S2 | FE1 | 101.3° | 97.6° |
| FE3 | S3 | FE2 | S4 | 88.7° | 93.0° |
| S3 | FE3 | S1 | FE1 | 85.7° | 92.8° |
| AG1 | S3 | FE3 | S2 | 111.4° | 100.7° |
| S3 | AG1 | S1 | S4 | 82.9° | 97.3° |
| AG1 | S3 | FE2 | S2 | 102.5° | 100.6° |
| AG1 | S3 | FE2 | S4 | 13.6° | 14.8° |
| S3 | AG1 | S4 | FE1 | 81.9° | 85.2° |
| S3 | AG1 | S1 | FE1 | 70.3° | 85.1° |
| FE2 | S3 | FE3 | S1 | 83.1° | 92.9° |
| FE2 | S3 | AG1 | S1 | 75.7° | 85.3° |
| S3 | FE2 | S2 | S4 | 118.9° | 120.3° |
| S3 | FE2 | S2 | FE1 | 98.7° | 97.8° |
| S3 | FE2 | S4 | FE1 | 91.5° | 93.1° |
| S2 | FE3 | S1 | AG1 | 108.6° | 100.7° |
| FE3 | S2 | FE2 | FE1 | 72.1° | 75.3° |
| FE3 | S2 | FE2 | S4 | 92.3° | 97.8° |
| FE3 | S2 | FE1 | S4 | 97.4° | 97.7° |
| S2 | FE3 | S1 | FE1 | 20.7° | 22.6° |
| FE3 | S1 | AG1 | FE1 | 71.8° | 73.0° |
| FE3 | S1 | AG1 | S4 | 84.5° | 85.2° |
| S1 | FE3 | S2 | FE2 | 94.6° | 97.8° |
| FE3 | S1 | FE1 | S4 | 93.7° | 93.1° |
| AG1 | S1 | FE1 | S2 | 98.9° | 100.8° |
| S1 | AG1 | S4 | FE2 | 83.8° | 85.3° |
| S1 | AG1 | S4 | FE1 | 11.8° | 12.2° |
| AG1 | S4 | FE2 | S2 | 98.1° | 100.6° |
| AG1 | S4 | FE1 | S2 | 104.0° | 100.7° |
| AG1 | S4 | FE2 | FE1 | 77.7° | 78.2° |
| FE2 | S2 | FE1 | S4 | 19.2° | 22.5° |
| FE2 | S2 | FE1 | S1 | 100.6° | 97.8° |
| S2 | FE1 | S4 | S1 | 119.5° | 115.5° |
| FE2 | S4 | FE1 | S1 | 100.4° | 93.0° |
