DC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.26Å | |
| CL1 | C11 | sing | 1.80Å | 1.82Å | |
| C2 | OXT | sing | 1.34Å | 1.24Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C12 | CL2 | sing | 1.80Å | 1.80Å | |
| C4 | C9 | sing | 1.53Å | 1.54Å | |
| C4 | N | sing | 1.47Å | 1.46Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | N | sing | 1.35Å | 1.44Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| O7 | C6 | doub | 1.21Å | 1.41Å | |
| C6 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| S10 | C9 | sing | 1.81Å | 1.86Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | S10 | sing | 1.81Å | 1.86Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | OXT | 125.4° | 120.0° |
| O1 | C2 | C4 | 118.4° | 120.0° |
| CL1 | C11 | S10 | 102.0° | 109.5° |
| CL1 | C11 | C12 | 103.4° | 109.5° |
| CL1 | C11 | H11 | 123.8° | 109.5° |
| OXT | C2 | C4 | 116.2° | 120.0° |
| C2 | OXT | HOXT | 109.5° | 117.0° |
| C2 | C4 | C9 | 114.9° | 109.5° |
| C2 | C4 | N | 110.1° | 109.5° |
| C2 | C4 | H4 | 104.0° | 109.5° |
| CL2 | C12 | C11 | 121.4° | 109.4° |
| CL2 | C12 | H12 | 105.7° | 109.5° |
| CL2 | C12 | H12A | 105.7° | 109.5° |
| C9 | C4 | N | 105.5° | 109.4° |
| C9 | C4 | H4 | 108.8° | 109.5° |
| C4 | C9 | S10 | 123.1° | 109.5° |
| C4 | C9 | H9 | 105.2° | 109.5° |
| C4 | C9 | H9A | 105.1° | 109.5° |
| N | C4 | H4 | 113.7° | 109.4° |
| C4 | N | C6 | 109.4° | 120.0° |
| C4 | N | H2 | 125.3° | 120.0° |
| C6 | N | H2 | 125.3° | 120.0° |
| N | C6 | O7 | 119.4° | 120.0° |
| N | C6 | C8 | 120.1° | 120.0° |
| O7 | C6 | C8 | 120.4° | 120.0° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H8A | 109.5° | 109.5° |
| C6 | C8 | H8B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| S10 | C9 | H9 | 105.2° | 109.5° |
| S10 | C9 | H9A | 105.2° | 109.5° |
| C9 | S10 | C11 | 121.3° | 103.0° |
| H9 | C9 | H9A | 113.4° | 109.4° |
| S10 | C11 | C12 | 123.6° | 109.5° |
| S10 | C11 | H11 | 103.7° | 109.5° |
| C12 | C11 | H11 | 102.3° | 109.4° |
| C11 | C12 | H12 | 105.7° | 109.5° |
| C11 | C12 | H12A | 105.7° | 109.4° |
| H12 | C12 | H12A | 113.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | OXT | C4 | 179.4° | 179.8° |
| O1 | C2 | C4 | C9 | 84.8° | 120.0° |
| O1 | C2 | C4 | N | 156.3° | 0.0° |
| O1 | C2 | C4 | H4 | 34.1° | 119.9° |
| O1 | C2 | OXT | HOXT | 0.0° | 0.0° |
| CL1 | C11 | C12 | CL2 | 176.8° | 60.0° |
| CL1 | C11 | S10 | C9 | 168.6° | 15.0° |
| CL1 | C11 | S10 | C12 | 115.2° | 120.0° |
| CL1 | C11 | S10 | H11 | 129.6° | 120.0° |
| CL1 | C11 | C12 | H11 | 129.6° | 120.0° |
| CL1 | C11 | C12 | H12 | 56.8° | 60.0° |
| CL1 | C11 | C12 | H12A | 63.2° | 180.0° |
| OXT | C2 | C4 | C9 | 95.8° | 59.8° |
| OXT | C2 | C4 | N | 23.2° | 179.7° |
| OXT | C2 | C4 | H4 | 145.4° | 60.3° |
| C2 | C4 | C9 | N | 121.5° | 120.0° |
| C2 | C4 | C9 | H4 | 116.2° | 120.1° |
| C2 | C4 | N | H4 | 116.3° | 120.0° |
| C2 | C4 | N | C6 | 41.5° | 85.0° |
| C2 | C4 | N | H2 | 138.5° | 95.0° |
| C2 | C4 | C9 | S10 | 64.2° | 180.0° |
| C2 | C4 | C9 | H9 | 175.8° | 60.0° |
| C2 | C4 | C9 | H9A | 55.8° | 60.0° |
| C4 | C2 | OXT | HOXT | 179.4° | 179.7° |
| CL2 | C12 | C11 | S10 | 62.3° | 60.1° |
| CL2 | C12 | C11 | H12 | 120.0° | 120.0° |
| CL2 | C12 | C11 | H12A | 120.0° | 120.0° |
| CL2 | C12 | C11 | H11 | 53.5° | 180.0° |
| CL2 | C12 | H12 | H12A | 115.1° | 120.1° |
| C9 | C4 | N | H4 | 119.2° | 120.0° |
| C9 | C4 | N | C6 | 166.1° | 155.0° |
| C9 | C4 | N | H2 | 13.9° | 25.0° |
| C4 | C9 | S10 | H9 | 120.0° | 120.0° |
| C4 | C9 | S10 | H9A | 120.0° | 120.0° |
| C4 | C9 | H9 | H9A | 114.4° | 120.0° |
| C4 | C9 | S10 | C11 | 81.5° | 180.0° |
| C4 | N | C6 | H2 | 180.0° | 180.0° |
| C4 | N | C6 | O7 | 48.1° | 0.0° |
| C4 | N | C6 | C8 | 136.0° | 180.0° |
| N | C4 | C9 | S10 | 174.3° | 60.0° |
| N | C4 | C9 | H9 | 54.3° | 60.0° |
| N | C4 | C9 | H9A | 65.7° | 180.0° |
| H4 | C4 | N | C6 | 74.8° | 35.0° |
| H4 | C4 | N | H2 | 105.2° | 145.0° |
| H4 | C4 | C9 | S10 | 51.9° | 60.0° |
| H4 | C4 | C9 | H9 | 68.1° | 180.0° |
| H4 | C4 | C9 | H9A | 171.9° | 60.1° |
| N | C6 | O7 | C8 | 175.9° | 179.9° |
| N | C6 | C8 | H8 | 175.9° | 90.0° |
| N | C6 | C8 | H8A | 64.1° | 150.0° |
| N | C6 | C8 | H8B | 55.9° | 30.0° |
| H2 | N | C6 | O7 | 131.9° | 179.9° |
| H2 | N | C6 | C8 | 44.0° | 0.0° |
| O7 | C6 | C8 | H8 | 0.0° | 90.0° |
| O7 | C6 | C8 | H8A | 120.0° | 30.0° |
| O7 | C6 | C8 | H8B | 120.0° | 150.0° |
| C6 | C8 | H8 | H8A | 120.0° | 120.0° |
| C6 | C8 | H8 | H8B | 120.0° | 120.0° |
| C6 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| S10 | C9 | H9 | H9A | 114.4° | 120.0° |
| C9 | S10 | C11 | C12 | 53.4° | 135.0° |
| C9 | S10 | C11 | H11 | 61.8° | 105.0° |
| H9 | C9 | S10 | C11 | 158.5° | 60.0° |
| H9A | C9 | S10 | C11 | 38.5° | 60.0° |
| S10 | C11 | C12 | H11 | 115.9° | 120.0° |
| S10 | C11 | C12 | H12 | 57.7° | 180.0° |
| S10 | C11 | C12 | H12A | 177.7° | 59.9° |
| C11 | C12 | H12 | H12A | 115.1° | 120.0° |
| H11 | C11 | C12 | H12 | 173.5° | 60.0° |
| H11 | C11 | C12 | H12A | 66.4° | 60.0° |
