DB2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CU | S1 | sing | 2.26Å | 2.29Å | |
| CU | S2 | sing | 2.35Å | 2.28Å | |
| CU1 | S2 | sing | 2.31Å | 2.24Å | |
| CU1 | S3 | sing | 2.31Å | 2.27Å | |
| CU2 | S1 | sing | 2.26Å | 2.24Å | |
| CU2 | S3 | sing | 2.35Å | 2.33Å | |
| S1 | MO1 | sing | 2.17Å | 2.20Å | |
| MO1 | S2 | sing | 2.18Å | 2.19Å | |
| MO1 | S3 | sing | 2.18Å | 2.21Å | |
| MO1 | S4 | sing | 2.18Å | 2.20Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | CU | S2 | 99.9° | 99.7° |
| CU | S1 | CU2 | 115.8° | 113.1° |
| CU | S1 | MO1 | 76.5° | 77.1° |
| CU | S2 | CU1 | 119.6° | 111.3° |
| CU | S2 | MO1 | 76.9° | 75.1° |
| S2 | CU1 | S3 | 99.5° | 100.3° |
| CU1 | S2 | MO1 | 79.1° | 75.4° |
| CU1 | S3 | CU2 | 115.6° | 111.3° |
| CU1 | S3 | MO1 | 78.0° | 75.4° |
| S1 | CU2 | S3 | 100.4° | 99.7° |
| CU2 | S1 | MO1 | 77.9° | 77.1° |
| CU2 | S3 | MO1 | 75.6° | 75.1° |
| S1 | MO1 | S2 | 105.8° | 108.1° |
| S1 | MO1 | S3 | 105.7° | 108.1° |
| S1 | MO1 | S4 | 115.7° | 110.6° |
| S2 | MO1 | S3 | 102.9° | 108.9° |
| S2 | MO1 | S4 | 116.0° | 110.5° |
| S3 | MO1 | S4 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | CU | S2 | CU1 | 62.0° | 67.5° |
| CU | S1 | CU2 | MO1 | 68.4° | 69.8° |
| CU | S1 | CU2 | S3 | 64.4° | 69.8° |
| S1 | CU | S2 | MO1 | 7.1° | 0.0° |
| CU | S1 | MO1 | S3 | 116.3° | 117.8° |
| CU | S1 | MO1 | S4 | 122.4° | 121.1° |
| CU | S2 | CU1 | MO1 | 67.9° | 67.3° |
| CU | S2 | CU1 | S3 | 62.3° | 67.3° |
| S2 | CU | S1 | CU2 | 62.1° | 69.8° |
| CU | S2 | MO1 | S3 | 118.3° | 117.2° |
| CU | S2 | MO1 | S4 | 122.2° | 121.2° |
| S2 | CU1 | S3 | CU2 | 61.8° | 67.3° |
| CU1 | S2 | MO1 | S1 | 116.6° | 117.2° |
| S2 | CU1 | S3 | MO1 | 5.6° | 0.0° |
| CU1 | S2 | MO1 | S4 | 113.7° | 121.6° |
| CU1 | S3 | CU2 | S1 | 64.8° | 67.5° |
| CU1 | S3 | CU2 | MO1 | 68.8° | 67.5° |
| CU1 | S3 | MO1 | S1 | 116.6° | 117.2° |
| CU1 | S3 | MO1 | S4 | 118.2° | 121.6° |
| CU2 | S1 | MO1 | S2 | 113.1° | 117.7° |
| S1 | CU2 | S3 | MO1 | 4.0° | 0.0° |
| CU2 | S1 | MO1 | S4 | 117.0° | 121.1° |
| CU2 | S3 | MO1 | S2 | 114.9° | 117.2° |
| CU2 | S3 | MO1 | S4 | 121.1° | 121.2° |
| S1 | MO1 | S2 | S3 | 110.7° | 117.2° |
| S1 | MO1 | S2 | S4 | 129.8° | 121.2° |
| S1 | MO1 | S3 | S4 | 125.3° | 121.1° |
| S2 | MO1 | S3 | S4 | 124.0° | 121.6° |
