WS7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O04 | C04 | doub | 1.22Å | 1.25Å | |
C04 | N03 | sing | 1.35Å | 1.35Å | |
C04 | C4A | sing | 1.41Å | 1.49Å | |
N03 | C02 | sing | 1.36Å | 1.36Å | |
C02 | N02 | sing | 1.37Å | 1.37Å | |
C02 | N01 | doub | 1.32Å | 1.36Å | |
N01 | C1A | sing | 1.34Å | 1.37Å | |
C1A | C4A | doub | 1.40Å | 1.47Å | |
C1A | N10 | sing | 1.38Å | 1.33Å | |
C4A | N05 | sing | 1.36Å | 1.35Å | |
N05 | C5A | doub | 1.28Å | 1.34Å | |
N10 | C9A | sing | 1.47Å | 1.46Å | |
C9A | C09 | sing | 1.53Å | 1.55Å | |
C9A | C10 | sing | 1.53Å | 1.51Å | |
C9A | C5A | sing | 1.51Å | 1.50Å | |
C09 | C08 | sing | 1.53Å | 1.54Å | |
C5A | C06 | sing | 1.51Å | 1.52Å | |
C06 | C07 | sing | 1.53Å | 1.54Å | |
C07 | C08 | sing | 1.53Å | 1.54Å | |
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 | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H103 | sing | 1.09Å | 1.10Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C06 | H062 | 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 | 120.5° | 120.7° |
O04 | C04 | C4A | 121.3° | 120.7° |
N03 | C04 | C4A | 118.2° | 118.7° |
C04 | N03 | C02 | 123.7° | 120.4° |
C04 | N03 | H03 | 118.2° | 119.8° |
C04 | C4A | C1A | 116.0° | 118.2° |
C04 | C4A | N05 | 124.9° | 119.4° |
N03 | C02 | N02 | 119.4° | 119.2° |
N03 | C02 | N01 | 120.6° | 121.6° |
C02 | N03 | H03 | 118.2° | 119.8° |
N02 | C02 | N01 | 120.0° | 119.2° |
C02 | N02 | H021 | 120.0° | 120.0° |
C02 | N02 | H022 | 120.0° | 120.0° |
C02 | N01 | C1A | 122.0° | 121.3° |
N01 | C1A | C4A | 119.5° | 119.8° |
N01 | C1A | N10 | 123.4° | 119.7° |
C4A | C1A | N10 | 117.1° | 120.5° |
C1A | C4A | N05 | 118.2° | 122.4° |
C1A | N10 | C9A | 121.8° | 117.5° |
C1A | N10 | H10 | 106.3° | 121.3° |
C4A | N05 | C5A | 120.6° | 122.6° |
N05 | C5A | C9A | 119.5° | 119.7° |
N05 | C5A | C06 | 120.1° | 121.5° |
N10 | C9A | C09 | 110.0° | 107.7° |
N10 | C9A | C10 | 104.7° | 108.3° |
N10 | C9A | C5A | 112.3° | 117.1° |
C9A | N10 | H10 | 106.3° | 121.2° |
C09 | C9A | C10 | 112.4° | 108.1° |
C09 | C9A | C5A | 111.6° | 106.0° |
C9A | C09 | C08 | 115.2° | 109.5° |
C9A | C09 | H091 | 108.0° | 109.4° |
C9A | C09 | H092 | 108.0° | 109.5° |
C10 | C9A | C5A | 105.6° | 109.3° |
C9A | C10 | H101 | 109.5° | 109.4° |
C9A | C10 | H102 | 109.5° | 109.4° |
C9A | C10 | H103 | 109.4° | 109.5° |
C9A | C5A | C06 | 120.4° | 118.8° |
C09 | C08 | C07 | 115.0° | 109.7° |
C08 | C09 | H091 | 108.0° | 109.5° |
C08 | C09 | H092 | 108.0° | 109.5° |
C09 | C08 | H081 | 108.1° | 109.4° |
C09 | C08 | H082 | 108.1° | 109.4° |
C5A | C06 | C07 | 111.9° | 108.3° |
C5A | C06 | H061 | 108.9° | 109.7° |
C5A | C06 | H062 | 108.9° | 109.7° |
C06 | C07 | C08 | 113.8° | 108.6° |
C07 | C06 | H061 | 108.9° | 109.7° |
C07 | C06 | H062 | 108.9° | 109.7° |
C06 | C07 | H071 | 108.4° | 109.5° |
C06 | C07 | H072 | 108.3° | 109.4° |
C07 | C08 | H081 | 108.1° | 110.4° |
C07 | C08 | H082 | 108.1° | 108.7° |
C08 | C07 | H071 | 108.4° | 110.5° |
C08 | C07 | H072 | 108.4° | 109.3° |
H021 | N02 | H022 | 120.0° | 120.0° |
H091 | C09 | H092 | 109.5° | 109.5° |
H101 | C10 | H102 | 109.5° | 109.5° |
H101 | C10 | H103 | 109.5° | 109.5° |
H102 | C10 | H103 | 109.5° | 109.4° |
H081 | C08 | H082 | 109.5° | 109.2° |
H061 | C06 | H062 | 109.5° | 109.8° |
H071 | C07 | H072 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O04 | C04 | N03 | C4A | 179.5° | 179.6° |
O04 | C04 | N03 | C02 | 179.6° | 180.0° |
O04 | C04 | C4A | C1A | 179.9° | 179.3° |
O04 | C04 | C4A | N05 | 10.9° | 1.1° |
O04 | C04 | N03 | H03 | 0.3° | 0.1° |
C04 | N03 | C02 | H03 | 180.0° | 179.9° |
C04 | N03 | C02 | N02 | 179.9° | 179.8° |
C04 | N03 | C02 | N01 | 0.1° | 0.3° |
N03 | C04 | C4A | C1A | 0.4° | 1.1° |
N03 | C04 | C4A | N05 | 169.6° | 178.6° |
C4A | C04 | N03 | C02 | 0.1° | 0.3° |
C04 | C4A | C1A | N01 | 0.5° | 1.3° |
C04 | C4A | C1A | N05 | 169.9° | 179.7° |
C04 | C4A | C1A | N10 | 179.4° | 178.7° |
C04 | C4A | N05 | C5A | 160.0° | 178.8° |
C4A | C04 | N03 | H03 | 179.8° | 179.7° |
N03 | C02 | N02 | N01 | 179.9° | 180.0° |
N03 | C02 | N01 | C1A | 0.0° | 0.1° |
N03 | C02 | N02 | H021 | 179.9° | 0.1° |
N03 | C02 | N02 | H022 | 0.1° | 180.0° |
N02 | C02 | N01 | C1A | 180.0° | 180.0° |
C02 | N02 | H021 | H022 | 180.0° | 179.9° |
N02 | C02 | N03 | H03 | 0.1° | 0.3° |
C02 | N01 | C1A | C4A | 0.3° | 0.7° |
C02 | N01 | C1A | N10 | 179.5° | 179.3° |
N01 | C02 | N02 | H021 | 0.0° | 180.0° |
N01 | C02 | N02 | H022 | 180.0° | 0.1° |
N01 | C02 | N03 | H03 | 180.0° | 179.7° |
N01 | C1A | C4A | N10 | 179.9° | 180.0° |
N01 | C1A | C4A | N05 | 170.4° | 178.4° |
N01 | C1A | N10 | C9A | 159.7° | 178.2° |
N01 | C1A | N10 | H10 | 38.0° | 1.8° |
C1A | C4A | N05 | C5A | 31.0° | 1.5° |
C4A | C1A | N10 | C9A | 20.4° | 1.8° |
C4A | C1A | N10 | H10 | 142.1° | 178.2° |
N10 | C1A | C4A | N05 | 9.4° | 1.6° |
C1A | N10 | C9A | H10 | 121.7° | 180.0° |
C1A | N10 | C9A | C09 | 153.0° | 124.2° |
C1A | N10 | C9A | C10 | 86.1° | 119.2° |
C1A | N10 | C9A | C5A | 28.0° | 4.9° |
C4A | N05 | C5A | C9A | 22.0° | 1.9° |
C4A | N05 | C5A | C06 | 156.6° | 177.7° |
N05 | C5A | C9A | N10 | 6.7° | 5.1° |
N05 | C5A | C9A | C09 | 130.7° | 125.3° |
N05 | C5A | C9A | C10 | 106.9° | 118.4° |
N05 | C5A | C9A | C06 | 178.6° | 179.6° |
N05 | C5A | C06 | C07 | 155.4° | 126.1° |
N05 | C5A | C06 | H061 | 35.1° | 6.4° |
N05 | C5A | C06 | H062 | 84.2° | 114.2° |
N10 | C9A | C09 | C10 | 116.2° | 116.8° |
N10 | C9A | C09 | C5A | 125.3° | 126.1° |
N10 | C9A | C10 | C5A | 118.7° | 128.6° |
N10 | C9A | C09 | C08 | 146.4° | 176.7° |
N10 | C9A | C5A | C06 | 174.7° | 174.5° |
N10 | C9A | C09 | H091 | 92.8° | 56.7° |
N10 | C9A | C09 | H092 | 25.6° | 63.2° |
N10 | C9A | C10 | H101 | 180.0° | 60.0° |
N10 | C9A | C10 | H102 | 60.0° | 180.0° |
N10 | C9A | C10 | H103 | 60.0° | 60.0° |
C09 | C9A | C10 | C5A | 121.9° | 114.9° |
C9A | C09 | C08 | H091 | 120.8° | 120.0° |
C9A | C09 | C08 | H092 | 120.8° | 120.0° |
C09 | C9A | C5A | C06 | 50.7° | 54.4° |
C9A | C09 | C08 | C07 | 27.8° | 65.7° |
C09 | C9A | N10 | H10 | 85.3° | 55.8° |
C9A | C09 | H091 | H092 | 117.4° | 120.0° |
C09 | C9A | C10 | H101 | 60.7° | 56.4° |
C09 | C9A | C10 | H102 | 179.3° | 63.6° |
C09 | C9A | C10 | H103 | 59.3° | 176.5° |
C9A | C09 | C08 | H081 | 148.5° | 55.5° |
C9A | C09 | C08 | H082 | 93.0° | 175.1° |
C10 | C9A | C09 | C08 | 97.3° | 59.9° |
C10 | C9A | C5A | C06 | 71.7° | 61.9° |
C10 | C9A | N10 | H10 | 35.6° | 60.9° |
C10 | C9A | C09 | H091 | 23.5° | 60.1° |
C10 | C9A | C09 | H092 | 141.8° | 180.0° |
C9A | C10 | H101 | H102 | 120.0° | 120.0° |
C9A | C10 | H101 | H103 | 120.0° | 120.1° |
C9A | C10 | H102 | H103 | 120.0° | 120.0° |
C5A | C9A | C09 | C08 | 21.1° | 57.1° |
C9A | C5A | C06 | C07 | 26.0° | 53.6° |
C5A | C9A | N10 | H10 | 149.7° | 175.1° |
C5A | C9A | C09 | H091 | 141.9° | 177.2° |
C5A | C9A | C09 | H092 | 99.7° | 62.9° |
C5A | C9A | C10 | H101 | 61.3° | 171.3° |
C5A | C9A | C10 | H102 | 58.7° | 51.4° |
C5A | C9A | C10 | H103 | 178.7° | 68.6° |
C9A | C5A | C06 | H061 | 146.4° | 173.2° |
C9A | C5A | C06 | H062 | 94.4° | 66.1° |
C09 | C08 | C07 | C06 | 53.2° | 63.1° |
C09 | C08 | C07 | H081 | 120.8° | 120.6° |
C09 | C08 | C07 | H082 | 120.8° | 119.6° |
C08 | C09 | H091 | H092 | 117.4° | 120.0° |
C09 | C08 | H081 | H082 | 117.5° | 119.8° |
C09 | C08 | C07 | H071 | 173.9° | 57.1° |
C09 | C08 | C07 | H072 | 67.4° | 177.6° |
C5A | C06 | C07 | H061 | 120.4° | 119.7° |
C5A | C06 | C07 | H062 | 120.4° | 119.7° |
C5A | C06 | C07 | C08 | 25.9° | 54.1° |
C5A | C06 | H061 | H062 | 118.9° | 120.6° |
C5A | C06 | C07 | H071 | 146.5° | 66.7° |
C5A | C06 | C07 | H072 | 94.7° | 173.3° |
C06 | C07 | C08 | H071 | 120.6° | 120.1° |
C06 | C07 | C08 | H072 | 120.6° | 119.3° |
C06 | C07 | C08 | H081 | 174.0° | 57.6° |
C06 | C07 | C08 | H082 | 67.6° | 177.3° |
C07 | C06 | H061 | H062 | 118.9° | 120.6° |
C06 | C07 | H071 | H072 | 118.0° | 120.0° |
C07 | C08 | C09 | H091 | 93.1° | 174.3° |
C07 | C08 | C09 | H092 | 148.6° | 54.3° |
C07 | C08 | H081 | H082 | 117.5° | 119.4° |
C08 | C07 | C06 | H061 | 94.5° | 173.7° |
C08 | C07 | C06 | H062 | 146.3° | 65.6° |
C08 | C07 | H071 | H072 | 118.0° | 120.4° |
H091 | C09 | C08 | H081 | 27.7° | 64.5° |
H091 | C09 | C08 | H082 | 146.1° | 55.2° |
H092 | C09 | C08 | H081 | 90.6° | 175.5° |
H092 | C09 | C08 | H082 | 27.8° | 64.8° |
H101 | C10 | H102 | H103 | 120.0° | 120.0° |
H081 | C08 | C07 | H071 | 65.3° | 177.7° |
H081 | C08 | C07 | H072 | 53.4° | 61.8° |
H082 | C08 | C07 | H071 | 53.1° | 62.5° |
H082 | C08 | C07 | H072 | 171.8° | 58.0° |
H061 | C06 | C07 | H071 | 26.2° | 53.0° |
H061 | C06 | C07 | H072 | 144.9° | 67.1° |
H062 | C06 | C07 | H071 | 93.1° | 173.7° |
H062 | C06 | C07 | H072 | 25.6° | 53.6° |