ICH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1A | FE1 | sing | 2.30Å | 2.29Å | |
| S1A | FE2 | sing | 2.33Å | 2.24Å | |
| S1A | FE4 | sing | 2.33Å | 2.31Å | |
| FE1 | S4A | sing | 2.30Å | 2.29Å | |
| FE1 | S2A | sing | 2.29Å | 2.22Å | |
| FE3 | S4A | sing | 2.33Å | 2.23Å | |
| FE3 | S2A | sing | 2.33Å | 2.25Å | |
| FE3 | CX | sing | 1.92Å | 1.95Å | |
| FE3 | SE5A | sing | 2.46Å | 2.33Å | |
| S4A | FE4 | sing | 2.33Å | 2.30Å | |
| S2A | FE2 | sing | 2.33Å | 2.18Å | |
| FE2 | CX | sing | 1.92Å | 1.99Å | |
| FE2 | SE2B | sing | 2.46Å | 2.31Å | |
| CX | FE6 | sing | 1.92Å | 2.05Å | |
| CX | FE4 | sing | 1.92Å | 1.99Å | |
| CX | FE5 | sing | 1.92Å | 2.00Å | |
| CX | FE7 | sing | 1.92Å | 1.97Å | |
| FE6 | S1B | sing | 2.33Å | 2.18Å | |
| FE6 | S3B | sing | 2.33Å | 2.22Å | |
| FE6 | SE2B | sing | 2.46Å | 2.30Å | |
| FE4 | SE3A | sing | 2.46Å | 2.33Å | |
| FE5 | SE3A | sing | 2.46Å | 2.32Å | |
| FE5 | S1B | sing | 2.33Å | 2.27Å | |
| FE5 | S4B | sing | 2.33Å | 2.23Å | |
| S1B | MO1 | sing | 2.54Å | 2.35Å | |
| MO1 | S4B | sing | 2.54Å | 2.34Å | |
| MO1 | S3B | sing | 2.54Å | 2.39Å | |
| S4B | FE7 | sing | 2.33Å | 2.25Å | |
| FE7 | SE5A | sing | 2.46Å | 2.27Å | |
| FE7 | S3B | sing | 2.33Å | 2.25Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE1 | S1A | FE2 | 71.0° | 67.5° |
| FE1 | S1A | FE4 | 70.3° | 67.6° |
| S1A | FE1 | S4A | 108.0° | 108.8° |
| S1A | FE1 | S2A | 103.4° | 109.0° |
| FE2 | S1A | FE4 | 70.6° | 64.9° |
| S1A | FE2 | S2A | 106.3° | 106.5° |
| S1A | FE2 | CX | 103.0° | 105.2° |
| S1A | FE2 | SE2B | 117.2° | 115.6° |
| S1A | FE4 | S4A | 106.9° | 106.6° |
| S1A | FE4 | CX | 101.1° | 105.2° |
| S1A | FE4 | SE3A | 119.3° | 115.6° |
| S4A | FE1 | S2A | 104.0° | 109.0° |
| FE1 | S4A | FE3 | 72.5° | 67.6° |
| FE1 | S4A | FE4 | 70.5° | 67.6° |
| FE1 | S2A | FE3 | 73.3° | 67.7° |
| FE1 | S2A | FE2 | 73.3° | 67.7° |
| S4A | FE3 | S2A | 105.0° | 106.5° |
| S4A | FE3 | CX | 102.6° | 105.2° |
| S4A | FE3 | SE5A | 119.4° | 115.6° |
| FE3 | S4A | FE4 | 71.3° | 64.9° |
| S2A | FE3 | CX | 99.9° | 105.2° |
| S2A | FE3 | SE5A | 122.7° | 115.7° |
| FE3 | S2A | FE2 | 73.0° | 64.9° |
| CX | FE3 | SE5A | 103.4° | 107.6° |
| FE3 | CX | FE2 | 84.1° | 81.3° |
| FE3 | CX | FE6 | 133.1° | 135.9° |
| FE3 | CX | FE4 | 84.3° | 81.2° |
| FE3 | CX | FE5 | 140.2° | 135.9° |
| FE3 | CX | FE7 | 83.0° | 82.6° |
| FE3 | SE5A | FE7 | 68.6° | 62.2° |
| S4A | FE4 | CX | 99.2° | 105.2° |
| S4A | FE4 | SE3A | 122.2° | 115.6° |
| S2A | FE2 | CX | 100.8° | 105.2° |
| S2A | FE2 | SE2B | 117.7° | 115.7° |
| CX | FE2 | SE2B | 109.8° | 107.6° |
| FE2 | CX | FE6 | 76.2° | 82.6° |
| FE2 | CX | FE4 | 82.8° | 81.2° |
| FE2 | CX | FE5 | 131.2° | 135.9° |
| FE2 | CX | FE7 | 132.9° | 135.9° |
| FE2 | SE2B | FE6 | 65.6° | 62.2° |
| FE6 | CX | FE4 | 133.3° | 135.9° |
| FE6 | CX | FE5 | 80.4° | 81.0° |
| FE6 | CX | FE7 | 80.4° | 81.1° |
| CX | FE6 | S1B | 103.0° | 105.1° |
| CX | FE6 | S3B | 101.1° | 105.1° |
| CX | FE6 | SE2B | 108.4° | 107.5° |
| FE4 | CX | FE5 | 83.1° | 82.7° |
| FE4 | CX | FE7 | 140.0° | 135.9° |
| CX | FE4 | SE3A | 103.7° | 107.6° |
| FE5 | CX | FE7 | 82.8° | 81.0° |
| CX | FE5 | SE3A | 103.8° | 107.5° |
| CX | FE5 | S1B | 101.4° | 105.1° |
| CX | FE5 | S4B | 100.6° | 105.1° |
| CX | FE7 | S4B | 100.9° | 105.1° |
| CX | FE7 | SE5A | 104.7° | 107.5° |
| CX | FE7 | S3B | 102.8° | 105.1° |
| S1B | FE6 | S3B | 112.6° | 107.9° |
| S1B | FE6 | SE2B | 115.0° | 115.1° |
| FE6 | S1B | FE5 | 71.8° | 65.0° |
| FE6 | S1B | MO1 | 71.4° | 76.0° |
| S3B | FE6 | SE2B | 114.9° | 115.1° |
| FE6 | S3B | MO1 | 69.9° | 76.0° |
| FE6 | S3B | FE7 | 70.9° | 65.0° |
| FE4 | SE3A | FE5 | 69.2° | 62.2° |
| SE3A | FE5 | S1B | 120.0° | 115.1° |
| SE3A | FE5 | S4B | 118.7° | 115.1° |
| S1B | FE5 | S4B | 108.5° | 108.0° |
| FE5 | S1B | MO1 | 72.0° | 76.0° |
| FE5 | S4B | MO1 | 72.8° | 76.0° |
| FE5 | S4B | FE7 | 71.6° | 65.0° |
| S1B | MO1 | S4B | 102.7° | 95.8° |
| S1B | MO1 | S3B | 101.4° | 95.8° |
| S4B | MO1 | S3B | 103.3° | 95.8° |
| MO1 | S4B | FE7 | 71.4° | 76.0° |
| MO1 | S3B | FE7 | 70.6° | 76.0° |
| S4B | FE7 | SE5A | 117.5° | 115.1° |
| S4B | FE7 | S3B | 110.8° | 107.9° |
| SE5A | FE7 | S3B | 117.2° | 115.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE1 | S1A | FE2 | FE4 | 75.1° | 74.8° |
| S1A | FE1 | S4A | S2A | 109.5° | 118.7° |
| S1A | FE1 | S4A | FE3 | 91.8° | 94.8° |
| S1A | FE1 | S2A | FE3 | 95.4° | 94.8° |
| FE1 | S1A | FE4 | S4A | 15.8° | 23.2° |
| FE1 | S1A | FE2 | S2A | 19.0° | 23.1° |
| FE1 | S1A | FE2 | CX | 86.5° | 88.3° |
| FE1 | S1A | FE2 | SE2B | 152.8° | 153.1° |
| FE1 | S1A | FE4 | CX | 87.5° | 88.2° |
| FE1 | S1A | FE4 | SE3A | 159.8° | 153.3° |
| FE2 | S1A | FE1 | S4A | 91.5° | 94.8° |
| S1A | FE2 | S2A | FE3 | 96.4° | 98.0° |
| S1A | FE2 | CX | FE3 | 97.7° | 97.4° |
| FE2 | S1A | FE4 | S4A | 91.8° | 97.9° |
| S1A | FE2 | S2A | CX | 107.1° | 111.4° |
| S1A | FE2 | S2A | SE2B | 133.6° | 130.0° |
| S1A | FE2 | CX | SE2B | 125.5° | 123.8° |
| S1A | FE2 | CX | FE6 | 125.2° | 123.8° |
| FE2 | S1A | FE4 | CX | 11.4° | 13.5° |
| S1A | FE2 | CX | FE5 | 61.6° | 54.8° |
| S1A | FE2 | CX | FE7 | 172.4° | 167.2° |
| S1A | FE2 | SE2B | FE6 | 116.7° | 117.2° |
| FE2 | S1A | FE4 | SE3A | 124.1° | 132.0° |
| FE4 | S1A | FE1 | S2A | 93.9° | 94.8° |
| S1A | FE4 | S4A | FE3 | 93.2° | 98.0° |
| S1A | FE4 | CX | FE3 | 96.9° | 97.4° |
| S1A | FE4 | S4A | CX | 104.6° | 111.4° |
| S1A | FE4 | S4A | SE3A | 142.8° | 130.1° |
| FE4 | S1A | FE2 | S2A | 94.1° | 97.9° |
| FE4 | S1A | FE2 | SE2B | 132.1° | 132.1° |
| S1A | FE4 | CX | FE6 | 51.2° | 54.8° |
| S1A | FE4 | CX | SE3A | 124.1° | 123.8° |
| S1A | FE4 | CX | FE5 | 120.9° | 123.8° |
| S1A | FE4 | CX | FE7 | 168.9° | 167.2° |
| S1A | FE4 | SE3A | FE5 | 108.4° | 117.2° |
| FE1 | S4A | FE3 | FE4 | 74.8° | 74.8° |
| S4A | FE1 | S2A | FE3 | 17.4° | 23.8° |
| FE1 | S4A | FE3 | CX | 86.6° | 88.3° |
| FE1 | S4A | FE3 | SE5A | 159.9° | 153.1° |
| S4A | FE1 | S2A | FE2 | 94.2° | 94.8° |
| FE1 | S4A | FE4 | CX | 88.9° | 88.2° |
| FE1 | S4A | FE4 | SE3A | 158.5° | 153.3° |
| FE1 | S2A | FE3 | FE2 | 77.2° | 74.9° |
| FE1 | S2A | FE3 | CX | 88.2° | 88.2° |
| FE1 | S2A | FE3 | SE5A | 158.7° | 153.1° |
| S2A | FE1 | S4A | FE4 | 93.5° | 94.8° |
| FE1 | S2A | FE2 | CX | 87.9° | 88.2° |
| FE1 | S2A | FE2 | SE2B | 152.9° | 153.2° |
| S4A | FE3 | S2A | CX | 106.1° | 111.4° |
| S4A | FE3 | S2A | SE5A | 140.8° | 130.0° |
| S4A | FE3 | CX | SE5A | 124.8° | 123.9° |
| S4A | FE3 | S2A | FE2 | 95.1° | 98.0° |
| S4A | FE3 | CX | FE2 | 96.4° | 97.4° |
| S4A | FE3 | CX | FE6 | 161.2° | 167.2° |
| S4A | FE3 | CX | FE4 | 13.0° | 15.0° |
| S4A | FE3 | CX | FE5 | 59.1° | 54.8° |
| S4A | FE3 | CX | FE7 | 129.0° | 123.8° |
| FE3 | S4A | FE4 | SE3A | 124.1° | 132.0° |
| S4A | FE3 | SE5A | FE7 | 117.0° | 117.3° |
| S2A | FE3 | CX | SE5A | 127.3° | 123.9° |
| S2A | FE3 | S4A | FE4 | 92.3° | 97.9° |
| S2A | FE3 | CX | FE2 | 11.6° | 14.9° |
| FE3 | S2A | FE2 | SE2B | 130.0° | 132.0° |
| S2A | FE3 | CX | FE6 | 53.3° | 54.9° |
| S2A | FE3 | CX | FE4 | 94.9° | 97.3° |
| S2A | FE3 | CX | FE5 | 167.0° | 167.1° |
| S2A | FE3 | CX | FE7 | 123.0° | 123.9° |
| S2A | FE3 | SE5A | FE7 | 107.5° | 117.3° |
| FE3 | CX | FE2 | FE6 | 137.1° | 138.8° |
| FE3 | CX | FE2 | FE4 | 85.0° | 82.4° |
| FE3 | CX | FE2 | FE5 | 159.3° | 152.2° |
| FE3 | CX | FE2 | FE7 | 74.7° | 69.8° |
| FE3 | CX | FE2 | SE2B | 136.8° | 138.8° |
| FE3 | CX | FE6 | FE4 | 134.0° | 138.6° |
| FE3 | CX | FE6 | FE5 | 155.1° | 151.8° |
| FE3 | CX | FE6 | FE7 | 70.8° | 69.6° |
| FE3 | CX | FE4 | FE5 | 142.1° | 138.8° |
| FE3 | CX | FE4 | FE7 | 72.0° | 69.8° |
| FE3 | CX | FE5 | FE7 | 70.0° | 69.6° |
| FE3 | CX | FE6 | S1B | 170.1° | 167.6° |
| FE3 | CX | FE6 | S3B | 53.5° | 53.8° |
| FE3 | CX | FE6 | SE2B | 67.7° | 69.3° |
| FE3 | CX | FE4 | SE3A | 139.0° | 138.8° |
| FE3 | CX | FE5 | SE3A | 69.3° | 69.3° |
| FE3 | CX | FE5 | S1B | 165.6° | 167.6° |
| FE3 | CX | FE5 | S4B | 54.0° | 53.8° |
| FE3 | CX | FE7 | S4B | 126.8° | 123.1° |
| CX | FE3 | SE5A | FE7 | 3.9° | 0.0° |
| FE3 | CX | FE7 | S3B | 118.7° | 123.2° |
| SE5A | FE3 | S4A | FE4 | 125.3° | 132.1° |
| SE5A | FE3 | S2A | FE2 | 124.1° | 132.0° |
| SE5A | FE3 | CX | FE2 | 138.8° | 138.8° |
| SE5A | FE3 | CX | FE6 | 74.0° | 68.9° |
| SE5A | FE3 | CX | FE4 | 137.8° | 138.8° |
| SE5A | FE3 | CX | FE5 | 65.7° | 69.0° |
| FE3 | SE5A | FE7 | S4B | 114.8° | 116.7° |
| FE3 | SE5A | FE7 | S3B | 109.3° | 116.7° |
| S4A | FE4 | CX | FE2 | 97.2° | 97.4° |
| S4A | FE4 | CX | FE6 | 160.6° | 167.2° |
| S4A | FE4 | CX | SE3A | 126.5° | 123.8° |
| S4A | FE4 | CX | FE5 | 129.6° | 123.8° |
| S4A | FE4 | CX | FE7 | 59.5° | 54.8° |
| S4A | FE4 | SE3A | FE5 | 113.2° | 117.2° |
| S2A | FE2 | CX | SE2B | 124.8° | 123.9° |
| S2A | FE2 | CX | FE6 | 125.1° | 123.9° |
| S2A | FE2 | CX | FE4 | 97.0° | 97.3° |
| S2A | FE2 | CX | FE5 | 171.3° | 167.1° |
| S2A | FE2 | CX | FE7 | 62.7° | 54.9° |
| S2A | FE2 | SE2B | FE6 | 114.7° | 117.3° |
| FE2 | CX | FE6 | FE4 | 66.0° | 69.3° |
| FE2 | CX | FE6 | FE5 | 136.9° | 138.9° |
| FE2 | CX | FE6 | FE7 | 138.8° | 138.9° |
| FE2 | CX | FE4 | FE5 | 133.2° | 138.8° |
| FE2 | CX | FE4 | FE7 | 156.7° | 152.2° |
| FE2 | CX | FE5 | FE7 | 143.3° | 151.8° |
| FE2 | CX | FE6 | S1B | 121.9° | 123.1° |
| FE2 | CX | FE6 | S3B | 121.5° | 123.1° |
| CX | FE2 | SE2B | FE6 | 0.3° | 0.0° |
| FE2 | CX | FE4 | SE3A | 136.3° | 138.8° |
| FE2 | CX | FE5 | SE3A | 77.4° | 69.3° |
| FE2 | CX | FE5 | S1B | 47.7° | 53.8° |
| FE2 | CX | FE5 | S4B | 159.3° | 167.6° |
| FE2 | CX | FE7 | S4B | 158.0° | 167.6° |
| FE2 | CX | FE7 | SE5A | 79.5° | 69.3° |
| FE2 | CX | FE7 | S3B | 43.5° | 53.8° |
| SE2B | FE2 | CX | FE4 | 138.2° | 138.8° |
| SE2B | FE2 | CX | FE5 | 63.9° | 69.0° |
| SE2B | FE2 | CX | FE7 | 62.1° | 68.9° |
| FE2 | SE2B | FE6 | S1B | 114.3° | 116.7° |
| FE2 | SE2B | FE6 | S3B | 112.5° | 116.7° |
| FE6 | CX | FE4 | FE5 | 69.8° | 69.0° |
| FE6 | CX | FE4 | FE7 | 139.9° | 138.0° |
| FE6 | CX | FE5 | FE7 | 81.4° | 82.3° |
| CX | FE6 | S1B | S3B | 108.1° | 111.7° |
| CX | FE6 | S1B | SE2B | 117.6° | 118.1° |
| CX | FE6 | S3B | SE2B | 116.4° | 118.1° |
| FE6 | CX | FE4 | SE3A | 73.0° | 69.0° |
| FE6 | CX | FE5 | SE3A | 139.3° | 138.9° |
| FE6 | CX | FE5 | S1B | 14.2° | 15.8° |
| FE6 | CX | FE5 | S4B | 97.3° | 98.0° |
| CX | FE6 | S1B | MO1 | 90.2° | 95.0° |
| CX | FE6 | S3B | MO1 | 91.5° | 95.1° |
| FE6 | CX | FE7 | S4B | 97.2° | 98.0° |
| FE6 | CX | FE7 | SE5A | 140.3° | 138.9° |
| FE6 | CX | FE7 | S3B | 17.3° | 15.7° |
| FE4 | CX | FE5 | FE7 | 142.5° | 138.9° |
| FE4 | CX | FE6 | S1B | 56.0° | 53.8° |
| FE4 | CX | FE6 | S3B | 172.6° | 167.6° |
| FE4 | CX | FE6 | SE2B | 66.3° | 69.3° |
| FE4 | CX | FE5 | SE3A | 3.2° | 0.0° |
| FE4 | CX | FE5 | S1B | 121.9° | 123.1° |
| FE4 | CX | FE5 | S4B | 126.5° | 123.1° |
| FE4 | CX | FE7 | S4B | 54.4° | 53.9° |
| FE4 | CX | FE7 | SE5A | 68.1° | 69.3° |
| FE4 | CX | FE7 | S3B | 168.9° | 167.6° |
| FE5 | CX | FE6 | S3B | 101.7° | 98.0° |
| FE5 | CX | FE6 | SE2B | 137.2° | 138.9° |
| CX | FE5 | SE3A | S1B | 112.1° | 116.8° |
| CX | FE5 | SE3A | S4B | 110.5° | 116.7° |
| CX | FE5 | S1B | S4B | 105.4° | 111.8° |
| CX | FE5 | S1B | MO1 | 89.6° | 95.1° |
| CX | FE5 | S4B | MO1 | 90.2° | 95.1° |
| FE5 | CX | FE7 | S4B | 15.8° | 15.8° |
| FE5 | CX | FE7 | SE5A | 138.3° | 138.9° |
| FE5 | CX | FE7 | S3B | 98.7° | 98.0° |
| FE7 | CX | FE6 | S1B | 99.2° | 98.0° |
| FE7 | CX | FE6 | SE2B | 138.5° | 138.8° |
| FE7 | CX | FE4 | SE3A | 67.0° | 69.0° |
| FE7 | CX | FE5 | SE3A | 139.3° | 138.8° |
| FE7 | CX | FE5 | S1B | 95.6° | 98.0° |
| CX | FE7 | S4B | MO1 | 92.3° | 95.0° |
| CX | FE7 | S3B | MO1 | 91.3° | 95.0° |
| CX | FE7 | S4B | SE5A | 113.1° | 118.1° |
| CX | FE7 | S4B | S3B | 108.4° | 111.7° |
| CX | FE7 | SE5A | S3B | 113.1° | 116.7° |
| S1B | FE6 | S3B | SE2B | 134.3° | 130.2° |
| FE6 | S1B | FE5 | SE3A | 127.3° | 132.3° |
| FE6 | S1B | FE5 | MO1 | 75.7° | 80.9° |
| FE6 | S1B | FE5 | S4B | 91.5° | 97.6° |
| FE6 | S1B | MO1 | S4B | 91.0° | 81.8° |
| S1B | FE6 | S3B | MO1 | 17.7° | 16.7° |
| S1B | FE6 | S3B | FE7 | 93.4° | 97.6° |
| S3B | FE6 | S1B | FE5 | 94.4° | 97.6° |
| FE6 | S3B | MO1 | S4B | 90.7° | 81.9° |
| FE6 | S3B | MO1 | FE7 | 76.1° | 67.3° |
| FE6 | S3B | FE7 | S4B | 90.5° | 97.6° |
| FE6 | S3B | FE7 | SE5A | 130.8° | 132.3° |
| SE2B | FE6 | S1B | FE5 | 131.3° | 132.3° |
| SE2B | FE6 | S1B | MO1 | 152.2° | 146.8° |
| SE2B | FE6 | S3B | MO1 | 152.1° | 146.9° |
| SE2B | FE6 | S3B | FE7 | 132.2° | 132.2° |
| FE4 | SE3A | FE5 | S1B | 109.3° | 116.7° |
| FE4 | SE3A | FE5 | S4B | 113.4° | 116.7° |
| SE3A | FE5 | S1B | S4B | 141.2° | 130.1° |
| SE3A | FE5 | S1B | MO1 | 157.0° | 146.8° |
| SE3A | FE5 | S4B | MO1 | 157.6° | 146.8° |
| SE3A | FE5 | S4B | FE7 | 126.8° | 132.3° |
| S1B | FE5 | S4B | MO1 | 15.8° | 16.7° |
| FE5 | S1B | MO1 | S3B | 91.9° | 81.8° |
| S1B | FE5 | S4B | FE7 | 91.4° | 97.6° |
| FE5 | S4B | MO1 | FE7 | 75.8° | 67.3° |
| FE5 | S4B | MO1 | S3B | 90.3° | 81.9° |
| FE5 | S4B | FE7 | SE5A | 127.9° | 132.3° |
| FE5 | S4B | FE7 | S3B | 93.6° | 97.5° |
| S1B | MO1 | S4B | S3B | 105.2° | 96.5° |
| S1B | MO1 | S4B | FE7 | 90.7° | 81.9° |
| S1B | MO1 | S3B | FE7 | 91.5° | 81.9° |
| MO1 | S4B | FE7 | SE5A | 154.6° | 146.9° |
| S4B | MO1 | S3B | FE7 | 14.6° | 14.6° |
| MO1 | S3B | FE7 | SE5A | 154.5° | 146.9° |
| S4B | FE7 | SE5A | S3B | 135.9° | 126.6° |
