WS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C04 | doub | 1.22Å | 1.26Å | |
| C04 | N03 | sing | 1.35Å | 1.34Å | |
| C04 | C4A | sing | 1.42Å | 1.49Å | |
| N03 | C02 | sing | 1.36Å | 1.36Å | |
| C02 | N02 | sing | 1.37Å | 1.37Å | |
| C02 | N01 | doub | 1.32Å | 1.37Å | |
| N01 | C01 | sing | 1.33Å | 1.36Å | |
| C01 | C4A | doub | 1.42Å | 1.47Å | |
| C01 | N10 | sing | 1.38Å | 1.33Å | |
| C4A | N05 | sing | 1.33Å | 1.35Å | |
| N05 | C5A | doub | 1.31Å | 1.34Å | |
| N10 | C9A | sing | 1.47Å | 1.46Å | |
| C9A | C09 | sing | 1.53Å | 1.52Å | |
| C9A | C11 | sing | 1.53Å | 1.51Å | |
| C9A | C5A | sing | 1.51Å | 1.47Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C5A | C06 | sing | 1.40Å | 1.51Å | |
| C06 | O06 | doub | 1.21Å | 1.23Å | |
| C06 | C07 | sing | 1.49Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N02 | H022 | sing | 0.97Å | 1.00Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| N03 | H03 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C04 | N03 | 121.1° | 120.9° |
| O04 | C04 | C4A | 120.5° | 120.9° |
| N03 | C04 | C4A | 118.4° | 118.2° |
| C04 | N03 | C02 | 122.7° | 120.6° |
| C04 | N03 | H03 | 118.6° | 119.7° |
| C04 | C4A | C01 | 117.0° | 118.1° |
| C04 | C4A | N05 | 123.3° | 121.5° |
| N03 | C02 | N02 | 120.6° | 119.0° |
| N03 | C02 | N01 | 121.0° | 122.1° |
| C02 | N03 | H03 | 118.6° | 119.7° |
| N02 | C02 | N01 | 118.4° | 118.9° |
| C02 | N02 | H021 | 120.0° | 120.0° |
| C02 | N02 | H022 | 120.0° | 120.0° |
| C02 | N01 | C01 | 122.6° | 121.0° |
| N01 | C01 | C4A | 118.2° | 120.0° |
| N01 | C01 | N10 | 122.5° | 121.8° |
| C4A | C01 | N10 | 119.3° | 118.3° |
| C01 | C4A | N05 | 119.7° | 120.3° |
| C01 | N10 | C9A | 122.2° | 116.8° |
| C01 | N10 | H10 | 106.2° | 121.6° |
| C4A | N05 | C5A | 122.3° | 121.9° |
| N05 | C5A | C9A | 121.4° | 120.3° |
| N05 | C5A | C06 | 122.6° | 119.7° |
| N10 | C9A | C09 | 113.5° | 109.7° |
| N10 | C9A | C11 | 105.3° | 109.6° |
| N10 | C9A | C5A | 114.9° | 108.7° |
| C9A | N10 | H10 | 106.2° | 121.6° |
| C09 | C9A | C11 | 114.2° | 109.7° |
| C09 | C9A | C5A | 107.0° | 108.3° |
| C9A | C09 | C08 | 111.2° | 108.8° |
| C9A | C09 | H091 | 109.0° | 109.6° |
| C9A | C09 | H092 | 109.0° | 109.6° |
| C11 | C9A | C5A | 101.5° | 110.8° |
| C9A | C11 | H111 | 109.5° | 109.5° |
| C9A | C11 | H112 | 109.4° | 109.4° |
| C9A | C11 | H113 | 109.5° | 109.5° |
| C9A | C5A | C06 | 115.9° | 120.1° |
| C09 | C08 | C07 | 113.2° | 110.7° |
| C08 | C09 | H091 | 109.1° | 109.6° |
| C08 | C09 | H092 | 109.1° | 109.6° |
| C09 | C08 | H081 | 108.5° | 109.1° |
| C09 | C08 | H082 | 108.5° | 109.1° |
| C5A | C06 | O06 | 119.3° | 118.0° |
| C5A | C06 | C07 | 120.0° | 124.0° |
| O06 | C06 | C07 | 120.6° | 118.0° |
| C06 | C07 | C08 | 111.5° | 113.1° |
| C06 | C07 | H071 | 109.0° | 108.7° |
| C06 | C07 | H072 | 109.0° | 108.7° |
| C07 | C08 | H081 | 108.6° | 110.1° |
| C07 | C08 | H082 | 108.5° | 108.7° |
| C08 | C07 | H071 | 109.0° | 109.6° |
| C08 | C07 | H072 | 109.0° | 108.0° |
| H021 | N02 | H022 | 120.0° | 120.0° |
| H091 | C09 | H092 | 109.4° | 109.7° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.0° |
| H071 | C07 | H072 | 109.5° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C04 | N03 | C4A | 178.7° | 179.7° |
| O04 | C04 | N03 | C02 | 178.5° | 179.9° |
| O04 | C04 | C4A | C01 | 179.4° | 179.9° |
| O04 | C04 | C4A | N05 | 0.2° | 0.7° |
| O04 | C04 | N03 | H03 | 1.5° | 0.2° |
| C04 | N03 | C02 | H03 | 180.0° | 179.9° |
| C04 | N03 | C02 | N02 | 179.6° | 179.8° |
| C04 | N03 | C02 | N01 | 1.3° | 0.1° |
| N03 | C04 | C4A | C01 | 0.7° | 0.2° |
| N03 | C04 | C4A | N05 | 178.9° | 178.9° |
| C4A | C04 | N03 | C02 | 0.2° | 0.2° |
| C04 | C4A | C01 | N01 | 0.5° | 0.2° |
| C04 | C4A | C01 | N05 | 179.6° | 179.1° |
| C04 | C4A | C01 | N10 | 178.2° | 179.8° |
| C04 | C4A | N05 | C5A | 178.5° | 167.8° |
| C4A | C04 | N03 | H03 | 179.8° | 179.9° |
| N03 | C02 | N02 | N01 | 178.4° | 180.0° |
| N03 | C02 | N01 | C01 | 1.4° | 0.1° |
| N03 | C02 | N02 | H021 | 178.4° | 0.1° |
| N03 | C02 | N02 | H022 | 1.6° | 180.0° |
| N02 | C02 | N01 | C01 | 179.8° | 179.9° |
| C02 | N02 | H021 | H022 | 180.0° | 179.9° |
| N02 | C02 | N03 | H03 | 0.4° | 0.1° |
| C02 | N01 | C01 | C4A | 0.5° | 0.1° |
| C02 | N01 | C01 | N10 | 179.2° | 179.7° |
| N01 | C02 | N02 | H021 | 0.0° | 180.0° |
| N01 | C02 | N02 | H022 | 180.0° | 0.1° |
| N01 | C02 | N03 | H03 | 178.7° | 179.9° |
| N01 | C01 | C4A | N10 | 178.7° | 179.6° |
| N01 | C01 | C4A | N05 | 179.1° | 179.0° |
| N01 | C01 | N10 | C9A | 177.1° | 151.6° |
| N01 | C01 | N10 | H10 | 55.3° | 28.5° |
| C01 | C4A | N05 | C5A | 1.9° | 13.1° |
| C4A | C01 | N10 | C9A | 4.2° | 28.9° |
| C4A | C01 | N10 | H10 | 126.0° | 151.1° |
| N10 | C01 | C4A | N05 | 2.2° | 0.6° |
| C01 | N10 | C9A | H10 | 121.8° | 180.0° |
| C01 | N10 | C9A | C09 | 129.1° | 160.6° |
| C01 | N10 | C9A | C11 | 105.2° | 78.9° |
| C01 | N10 | C9A | C5A | 5.5° | 42.4° |
| C4A | N05 | C5A | C9A | 3.5° | 4.7° |
| C4A | N05 | C5A | C06 | 179.1° | 175.1° |
| N05 | C5A | C9A | N10 | 5.1° | 31.2° |
| N05 | C5A | C9A | C09 | 132.1° | 150.3° |
| N05 | C5A | C9A | C11 | 107.9° | 89.3° |
| N05 | C5A | C9A | C06 | 175.8° | 179.8° |
| N05 | C5A | C06 | O06 | 35.9° | 1.5° |
| N05 | C5A | C06 | C07 | 146.9° | 178.6° |
| N10 | C9A | C09 | C11 | 120.8° | 120.5° |
| N10 | C9A | C09 | C5A | 127.8° | 118.5° |
| N10 | C9A | C11 | C5A | 120.0° | 120.0° |
| N10 | C9A | C09 | C08 | 168.5° | 179.1° |
| N10 | C9A | C5A | C06 | 179.1° | 148.6° |
| N10 | C9A | C09 | H091 | 48.2° | 61.1° |
| N10 | C9A | C09 | H092 | 71.2° | 59.3° |
| N10 | C9A | C11 | H111 | 180.0° | 60.0° |
| N10 | C9A | C11 | H112 | 60.0° | 180.0° |
| N10 | C9A | C11 | H113 | 60.0° | 60.0° |
| C09 | C9A | C11 | C5A | 114.8° | 119.5° |
| C9A | C09 | C08 | H091 | 120.3° | 119.8° |
| C9A | C09 | C08 | H092 | 120.2° | 119.8° |
| C09 | C9A | C5A | C06 | 52.1° | 29.5° |
| C9A | C09 | C08 | C07 | 59.4° | 65.6° |
| C09 | C9A | N10 | H10 | 109.1° | 19.4° |
| C9A | C09 | H091 | H092 | 119.2° | 120.4° |
| C09 | C9A | C11 | H111 | 54.7° | 60.5° |
| C09 | C9A | C11 | H112 | 174.8° | 59.5° |
| C09 | C9A | C11 | H113 | 65.2° | 179.4° |
| C9A | C09 | C08 | H081 | 61.2° | 55.7° |
| C9A | C09 | C08 | H082 | 179.9° | 174.8° |
| C11 | C9A | C09 | C08 | 47.8° | 60.4° |
| C11 | C9A | C5A | C06 | 67.9° | 90.9° |
| C11 | C9A | N10 | H10 | 16.6° | 101.1° |
| C11 | C9A | C09 | H091 | 72.5° | 59.4° |
| C11 | C9A | C09 | H092 | 168.0° | 179.8° |
| C9A | C11 | H111 | H112 | 120.0° | 120.0° |
| C9A | C11 | H111 | H113 | 120.0° | 120.0° |
| C9A | C11 | H112 | H113 | 120.0° | 120.0° |
| C5A | C9A | C09 | C08 | 63.7° | 60.7° |
| C9A | C5A | C06 | O06 | 139.9° | 178.7° |
| C9A | C5A | C06 | C07 | 37.3° | 1.2° |
| C5A | C9A | N10 | H10 | 127.3° | 137.6° |
| C5A | C9A | C09 | H091 | 176.0° | 179.5° |
| C5A | C9A | C09 | H092 | 56.6° | 59.1° |
| C5A | C9A | C11 | H111 | 60.0° | 180.0° |
| C5A | C9A | C11 | H112 | 60.0° | 60.0° |
| C5A | C9A | C11 | H113 | 180.0° | 59.9° |
| C09 | C08 | C07 | C06 | 39.3° | 35.6° |
| C09 | C08 | C07 | H081 | 120.5° | 120.8° |
| C09 | C08 | C07 | H082 | 120.5° | 119.9° |
| C08 | C09 | H091 | H092 | 119.2° | 120.3° |
| C09 | C08 | H081 | H082 | 118.3° | 119.1° |
| C09 | C08 | C07 | H071 | 81.0° | 85.9° |
| C09 | C08 | C07 | H072 | 159.6° | 155.9° |
| C5A | C06 | O06 | C07 | 177.2° | 179.9° |
| C5A | C06 | C07 | C08 | 28.8° | 4.0° |
| C5A | C06 | C07 | H071 | 91.5° | 118.0° |
| C5A | C06 | C07 | H072 | 149.1° | 123.9° |
| O06 | C06 | C07 | C08 | 148.4° | 175.9° |
| O06 | C06 | C07 | H071 | 91.3° | 62.1° |
| O06 | C06 | C07 | H072 | 28.0° | 56.0° |
| C06 | C07 | C08 | H071 | 120.3° | 121.5° |
| C06 | C07 | C08 | H072 | 120.3° | 120.4° |
| C06 | C07 | C08 | H081 | 81.2° | 85.2° |
| C06 | C07 | C08 | H082 | 159.9° | 155.4° |
| C06 | C07 | H071 | H072 | 119.1° | 118.2° |
| C07 | C08 | C09 | H091 | 179.6° | 174.6° |
| C07 | C08 | C09 | H092 | 60.9° | 54.2° |
| C07 | C08 | H081 | H082 | 118.3° | 119.1° |
| C08 | C07 | H071 | H072 | 119.1° | 117.8° |
| H091 | C09 | C08 | H081 | 59.1° | 64.1° |
| H091 | C09 | C08 | H082 | 59.8° | 54.9° |
| H092 | C09 | C08 | H081 | 178.6° | 175.5° |
| H092 | C09 | C08 | H082 | 59.7° | 65.5° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H081 | C08 | C07 | H071 | 158.5° | 153.3° |
| H081 | C08 | C07 | H072 | 39.1° | 35.2° |
| H082 | C08 | C07 | H071 | 39.6° | 34.0° |
| H082 | C08 | C07 | H072 | 79.8° | 84.2° |
