1U6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | N09 | sing | 1.46Å | 1.45Å | |
| O08 | C07 | doub | 1.21Å | 1.23Å | |
| N09 | C07 | sing | 1.35Å | 1.35Å | |
| N09 | C12 | sing | 1.34Å | 1.37Å | |
| C07 | C06 | sing | 1.52Å | 1.38Å | |
| S13 | C12 | doub | 1.71Å | 1.68Å | |
| C12 | N03 | sing | 1.34Å | 1.37Å | |
| C06 | C04 | sing | 1.52Å | 1.38Å | |
| N03 | C04 | sing | 1.35Å | 1.35Å | |
| N03 | C02 | sing | 1.46Å | 1.45Å | |
| C04 | O05 | doub | 1.21Å | 1.38Å | |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N09 | 117.1° | 109.5° |
| C11 | C10 | H8 | 107.5° | 109.5° |
| C11 | C10 | H9 | 107.5° | 109.5° |
| C10 | C11 | H10 | 109.5° | 109.4° |
| C10 | C11 | H11 | 109.4° | 109.5° |
| C10 | C11 | H12 | 109.4° | 109.5° |
| C10 | N09 | C07 | 117.0° | 119.0° |
| C10 | N09 | C12 | 123.0° | 119.0° |
| N09 | C10 | H8 | 107.5° | 109.5° |
| N09 | C10 | H9 | 107.6° | 109.5° |
| O08 | C07 | N09 | 121.0° | 121.2° |
| O08 | C07 | C06 | 118.5° | 121.2° |
| C07 | N09 | C12 | 120.1° | 122.0° |
| N09 | C07 | C06 | 120.5° | 117.6° |
| N09 | C12 | S13 | 121.7° | 117.6° |
| N09 | C12 | N03 | 119.4° | 124.8° |
| C07 | C06 | C04 | 119.5° | 116.2° |
| C07 | C06 | H6 | 106.9° | 108.1° |
| C07 | C06 | H7 | 106.9° | 108.0° |
| S13 | C12 | N03 | 118.9° | 117.6° |
| C12 | N03 | C04 | 121.1° | 122.0° |
| C12 | N03 | C02 | 121.5° | 119.0° |
| C06 | C04 | N03 | 119.4° | 117.5° |
| C06 | C04 | O05 | 119.3° | 121.2° |
| C04 | C06 | H6 | 106.9° | 108.1° |
| C04 | C06 | H7 | 106.9° | 108.2° |
| C04 | N03 | C02 | 117.4° | 119.0° |
| N03 | C04 | O05 | 121.3° | 121.3° |
| N03 | C02 | C01 | 117.9° | 109.5° |
| N03 | C02 | H4 | 107.3° | 109.5° |
| N03 | C02 | H5 | 107.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.3° | 109.5° |
| C01 | C02 | H5 | 107.3° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H6 | C06 | H7 | 109.4° | 108.0° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H12 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N09 | H8 | 121.1° | 120.0° |
| C11 | C10 | N09 | H9 | 121.1° | 120.1° |
| C11 | C10 | N09 | C07 | 88.2° | 90.0° |
| C11 | C10 | N09 | C12 | 91.7° | 89.6° |
| C11 | C10 | H8 | H9 | 116.5° | 120.0° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C10 | C11 | H10 | H12 | 120.0° | 119.9° |
| C10 | C11 | H11 | H12 | 119.9° | 120.0° |
| C10 | N09 | C07 | O08 | 0.1° | 0.1° |
| C10 | N09 | C07 | C12 | 179.9° | 179.6° |
| C10 | N09 | C07 | C06 | 180.0° | 179.9° |
| C10 | N09 | C12 | S13 | 0.2° | 0.4° |
| C10 | N09 | C12 | N03 | 179.9° | 179.7° |
| N09 | C10 | H8 | H9 | 116.6° | 119.9° |
| N09 | C10 | C11 | H10 | 180.0° | 60.1° |
| N09 | C10 | C11 | H11 | 60.0° | 60.0° |
| N09 | C10 | C11 | H12 | 60.0° | 180.0° |
| O08 | C07 | N09 | C06 | 179.9° | 180.0° |
| O08 | C07 | N09 | C12 | 180.0° | 179.7° |
| O08 | C07 | C06 | C04 | 180.0° | 180.0° |
| O08 | C07 | C06 | H6 | 58.5° | 58.3° |
| O08 | C07 | C06 | H7 | 58.6° | 58.3° |
| C07 | N09 | C12 | S13 | 179.9° | 180.0° |
| C07 | N09 | C12 | N03 | 0.2° | 0.7° |
| N09 | C07 | C06 | C04 | 0.1° | 0.0° |
| N09 | C07 | C06 | H6 | 121.6° | 121.7° |
| N09 | C07 | C06 | H7 | 121.3° | 121.7° |
| C07 | N09 | C10 | H8 | 32.9° | 150.0° |
| C07 | N09 | C10 | H9 | 150.7° | 30.1° |
| C12 | N09 | C07 | C06 | 0.1° | 0.3° |
| N09 | C12 | S13 | N03 | 179.8° | 179.4° |
| N09 | C12 | N03 | C04 | 0.3° | 0.7° |
| N09 | C12 | N03 | C02 | 180.0° | 179.6° |
| C12 | N09 | C10 | H8 | 147.2° | 30.4° |
| C12 | N09 | C10 | H9 | 29.4° | 150.3° |
| C07 | C06 | C04 | H6 | 121.4° | 121.7° |
| C07 | C06 | C04 | H7 | 121.4° | 121.6° |
| C07 | C06 | C04 | N03 | 0.2° | 0.0° |
| C07 | C06 | C04 | O05 | 180.0° | 180.0° |
| C07 | C06 | H6 | H7 | 115.5° | 116.6° |
| S13 | C12 | N03 | C04 | 180.0° | 180.0° |
| S13 | C12 | N03 | C02 | 0.2° | 0.3° |
| C12 | N03 | C04 | C06 | 0.3° | 0.3° |
| C12 | N03 | C04 | C02 | 179.8° | 179.7° |
| C12 | N03 | C04 | O05 | 179.9° | 179.7° |
| C12 | N03 | C02 | C01 | 87.9° | 90.3° |
| C12 | N03 | C02 | H4 | 150.9° | 149.7° |
| C12 | N03 | C02 | H5 | 33.3° | 29.7° |
| C06 | C04 | N03 | O05 | 179.8° | 180.0° |
| C06 | C04 | N03 | C02 | 179.9° | 180.0° |
| C04 | C06 | H6 | H7 | 115.5° | 116.8° |
| C04 | N03 | C02 | C01 | 91.9° | 90.0° |
| C04 | N03 | C02 | H4 | 29.4° | 30.0° |
| C04 | N03 | C02 | H5 | 146.9° | 150.0° |
| N03 | C04 | C06 | H6 | 121.6° | 121.8° |
| N03 | C04 | C06 | H7 | 121.2° | 121.6° |
| C02 | N03 | C04 | O05 | 0.1° | 0.0° |
| N03 | C02 | C01 | H4 | 121.2° | 120.1° |
| N03 | C02 | C01 | H5 | 121.2° | 120.0° |
| N03 | C02 | C01 | H1 | 180.0° | 60.0° |
| N03 | C02 | C01 | H2 | 60.0° | 59.9° |
| N03 | C02 | C01 | H3 | 60.0° | 180.0° |
| N03 | C02 | H4 | H5 | 116.2° | 120.0° |
| O05 | C04 | C06 | H6 | 58.6° | 58.3° |
| O05 | C04 | C06 | H7 | 58.6° | 58.4° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 119.9° | 120.1° |
| C01 | C02 | H4 | H5 | 116.2° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 58.8° | 60.1° |
| H1 | C01 | C02 | H5 | 58.8° | 180.0° |
| H2 | C01 | C02 | H4 | 178.8° | 180.0° |
| H2 | C01 | C02 | H5 | 61.2° | 60.1° |
| H3 | C01 | C02 | H4 | 61.2° | 60.0° |
| H3 | C01 | C02 | H5 | 178.8° | 60.0° |
| H8 | C10 | C11 | H10 | 58.9° | 179.9° |
| H8 | C10 | C11 | H11 | 61.1° | 60.0° |
| H8 | C10 | C11 | H12 | 178.9° | 60.0° |
| H9 | C10 | C11 | H10 | 58.9° | 60.0° |
| H9 | C10 | C11 | H11 | 178.9° | 180.0° |
| H9 | C10 | C11 | H12 | 61.1° | 59.9° |
| H10 | C11 | H11 | H12 | 120.0° | 120.0° |
