S7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | O04 | sing | 1.44Å | 1.41Å | |
| C05 | C01 | sing | 1.54Å | 1.53Å | |
| O04 | C03 | sing | 1.44Å | 1.42Å | |
| C01 | C02 | sing | 1.54Å | 1.52Å | |
| C03 | C02 | sing | 1.55Å | 1.55Å | |
| C03 | N06 | sing | 1.47Å | 1.50Å | |
| C07 | N06 | sing | 1.37Å | 1.41Å | |
| C07 | C08 | doub | 1.35Å | 1.36Å | |
| N06 | C12 | sing | 1.35Å | 1.42Å | |
| F14 | C08 | sing | 1.35Å | 1.34Å | |
| C08 | C09 | sing | 1.42Å | 1.47Å | |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C12 | N11 | sing | 1.35Å | 1.42Å | |
| C09 | N11 | sing | 1.35Å | 1.41Å | |
| C09 | O10 | doub | 1.22Å | 1.22Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C05 | C01 | 109.0° | 104.8° |
| C05 | O04 | C03 | 109.7° | 105.3° |
| O04 | C05 | H052 | 109.6° | 110.3° |
| O04 | C05 | H051 | 109.6° | 110.4° |
| C05 | C01 | C02 | 104.5° | 104.1° |
| C05 | C01 | H012 | 110.7° | 110.5° |
| C05 | C01 | H011 | 110.7° | 110.6° |
| C01 | C05 | H052 | 109.6° | 110.4° |
| C01 | C05 | H051 | 109.6° | 110.4° |
| O04 | C03 | C02 | 106.3° | 104.8° |
| O04 | C03 | N06 | 106.0° | 110.4° |
| O04 | C03 | H031 | 110.8° | 110.5° |
| C01 | C02 | C03 | 105.2° | 104.1° |
| C02 | C01 | H012 | 110.7° | 110.5° |
| C02 | C01 | H011 | 110.7° | 110.5° |
| C01 | C02 | H022 | 110.5° | 110.5° |
| C01 | C02 | H021 | 110.5° | 110.5° |
| C02 | C03 | N06 | 115.1° | 110.4° |
| C03 | C02 | H022 | 110.5° | 110.5° |
| C03 | C02 | H021 | 110.5° | 110.6° |
| C02 | C03 | H031 | 109.0° | 110.4° |
| C03 | N06 | C07 | 119.8° | 119.7° |
| C03 | N06 | C12 | 120.5° | 119.7° |
| N06 | C03 | H031 | 109.6° | 110.4° |
| N06 | C07 | C08 | 119.8° | 119.7° |
| C07 | N06 | C12 | 119.7° | 120.6° |
| N06 | C07 | H071 | 120.1° | 120.2° |
| C07 | C08 | F14 | 120.5° | 120.5° |
| C07 | C08 | C09 | 124.6° | 119.1° |
| C08 | C07 | H071 | 120.1° | 120.2° |
| N06 | C12 | O13 | 121.7° | 119.5° |
| N06 | C12 | N11 | 118.2° | 120.9° |
| F14 | C08 | C09 | 114.9° | 120.5° |
| C08 | C09 | N11 | 113.0° | 119.4° |
| C08 | C09 | O10 | 126.6° | 120.3° |
| O13 | C12 | N11 | 120.0° | 119.6° |
| C12 | N11 | C09 | 124.6° | 120.4° |
| C12 | N11 | H111 | 117.7° | 119.8° |
| N11 | C09 | O10 | 120.3° | 120.4° |
| C09 | N11 | H111 | 117.7° | 119.8° |
| H012 | C01 | H011 | 109.5° | 110.5° |
| H022 | C02 | H021 | 109.4° | 110.5° |
| H052 | C05 | H051 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C05 | C01 | H052 | 119.9° | 118.8° |
| O04 | C05 | C01 | H051 | 119.9° | 118.9° |
| O04 | C05 | C01 | C02 | 6.7° | 24.0° |
| C05 | O04 | C03 | C02 | 24.0° | 40.5° |
| C05 | O04 | C03 | N06 | 147.0° | 159.3° |
| O04 | C05 | C01 | H012 | 112.5° | 142.6° |
| O04 | C05 | C01 | H011 | 126.0° | 94.7° |
| C05 | O04 | C03 | H031 | 94.2° | 78.3° |
| O04 | C05 | H052 | H051 | 120.2° | 122.3° |
| C01 | C05 | O04 | C03 | 19.7° | 40.5° |
| C05 | C01 | C02 | H012 | 119.2° | 118.7° |
| C05 | C01 | C02 | H011 | 119.2° | 118.8° |
| C05 | C01 | C02 | C03 | 7.3° | 0.0° |
| C05 | C01 | H012 | H011 | 122.3° | 122.8° |
| C05 | C01 | C02 | H022 | 112.1° | 118.6° |
| C05 | C01 | C02 | H021 | 126.6° | 118.8° |
| C01 | C05 | H052 | H051 | 120.2° | 122.4° |
| O04 | C03 | C02 | C01 | 18.9° | 23.9° |
| O04 | C03 | C02 | N06 | 117.0° | 118.8° |
| O04 | C03 | C02 | H031 | 119.4° | 118.9° |
| O04 | C03 | N06 | H031 | 119.6° | 122.4° |
| O04 | C03 | N06 | C07 | 1.8° | 129.6° |
| O04 | C03 | N06 | C12 | 177.2° | 50.3° |
| O04 | C03 | C02 | H022 | 100.4° | 94.7° |
| O04 | C03 | C02 | H021 | 138.2° | 142.7° |
| C03 | O04 | C05 | H052 | 139.6° | 78.3° |
| C03 | O04 | C05 | H051 | 100.2° | 159.4° |
| C01 | C02 | C03 | H022 | 119.3° | 118.6° |
| C01 | C02 | C03 | H021 | 119.3° | 118.7° |
| C01 | C02 | C03 | N06 | 135.9° | 142.8° |
| C02 | C01 | H012 | H011 | 122.3° | 122.6° |
| C01 | C02 | H022 | H021 | 122.0° | 122.6° |
| C01 | C02 | C03 | H031 | 100.5° | 95.0° |
| C02 | C01 | C05 | H052 | 126.7° | 94.8° |
| C02 | C01 | C05 | H051 | 113.2° | 142.8° |
| C02 | C03 | N06 | H031 | 123.2° | 122.2° |
| C02 | C03 | N06 | C07 | 119.0° | 115.0° |
| C02 | C03 | N06 | C12 | 60.0° | 65.0° |
| C03 | C02 | C01 | H012 | 126.5° | 118.7° |
| C03 | C02 | C01 | H011 | 111.9° | 118.8° |
| C03 | C02 | H022 | H021 | 122.0° | 122.7° |
| C03 | N06 | C07 | C12 | 179.0° | 179.9° |
| C03 | N06 | C07 | C08 | 179.6° | 180.0° |
| C03 | N06 | C12 | O13 | 0.9° | 0.0° |
| C03 | N06 | C12 | N11 | 179.4° | 180.0° |
| N06 | C03 | C02 | H022 | 16.6° | 24.1° |
| N06 | C03 | C02 | H021 | 104.8° | 98.5° |
| C03 | N06 | C07 | H071 | 0.5° | 0.2° |
| N06 | C07 | C08 | H071 | 180.0° | 179.8° |
| N06 | C07 | C08 | F14 | 179.8° | 179.9° |
| N06 | C07 | C08 | C09 | 0.4° | 0.0° |
| C07 | N06 | C12 | O13 | 179.9° | 179.9° |
| C07 | N06 | C12 | N11 | 0.4° | 0.0° |
| C07 | N06 | C03 | H031 | 117.8° | 7.2° |
| C08 | C07 | N06 | C12 | 0.5° | 0.0° |
| C07 | C08 | F14 | C09 | 179.9° | 179.9° |
| C07 | C08 | C09 | N11 | 0.1° | 0.1° |
| C07 | C08 | C09 | O10 | 179.9° | 180.0° |
| N06 | C12 | O13 | N11 | 179.6° | 179.9° |
| N06 | C12 | N11 | C09 | 0.2° | 0.0° |
| C12 | N06 | C03 | H031 | 63.2° | 172.7° |
| C12 | N06 | C07 | H071 | 179.5° | 179.8° |
| N06 | C12 | N11 | H111 | 179.8° | 180.0° |
| F14 | C08 | C09 | N11 | 180.0° | 180.0° |
| F14 | C08 | C09 | O10 | 0.1° | 0.1° |
| F14 | C08 | C07 | H071 | 0.2° | 0.3° |
| C08 | C09 | N11 | C12 | 0.0° | 0.1° |
| C08 | C09 | N11 | O10 | 179.9° | 180.0° |
| C09 | C08 | C07 | H071 | 179.6° | 179.8° |
| C08 | C09 | N11 | H111 | 179.9° | 180.0° |
| O13 | C12 | N11 | C09 | 179.8° | 180.0° |
| O13 | C12 | N11 | H111 | 0.1° | 0.1° |
| C12 | N11 | C09 | H111 | 180.0° | 179.9° |
| C12 | N11 | C09 | O10 | 180.0° | 180.0° |
| O10 | C09 | N11 | H111 | 0.0° | 0.0° |
| H012 | C01 | C02 | H022 | 7.2° | 122.7° |
| H012 | C01 | C02 | H021 | 114.2° | 0.1° |
| H012 | C01 | C05 | H052 | 7.5° | 23.8° |
| H012 | C01 | C05 | H051 | 127.6° | 98.5° |
| H011 | C01 | C02 | H022 | 128.7° | 0.2° |
| H011 | C01 | C02 | H021 | 7.4° | 122.4° |
| H011 | C01 | C05 | H052 | 114.1° | 146.5° |
| H011 | C01 | C05 | H051 | 6.0° | 24.1° |
| H022 | C02 | C03 | H031 | 140.1° | 146.4° |
| H021 | C02 | C03 | H031 | 18.8° | 23.8° |
