SDC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C04 | sing | 1.34Å | 1.20Å | |
O01 | H01 | sing | 0.97Å | 0.95Å | |
NP2 | C03 | sing | 1.47Å | 1.50Å | |
NP2 | HP21 | sing | 1.01Å | 1.00Å | |
NP2 | HP22 | sing | 1.01Å | 1.00Å | |
C03 | C04 | sing | 1.51Å | 1.55Å | |
C03 | C06 | sing | 1.53Å | 1.53Å | |
C03 | H03 | sing | 1.09Å | 1.10Å | |
C04 | O05 | doub | 1.21Å | 1.35Å | |
C06 | S07 | sing | 1.81Å | 1.81Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
S07 | C08 | sing | 1.81Å | 1.84Å | |
C08 | C09 | sing | 1.53Å | 1.53Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C09 | S10 | sing | 1.81Å | 1.80Å | |
C09 | H091 | sing | 1.09Å | 1.10Å | |
C09 | H092 | sing | 1.09Å | 1.10Å | |
S10 | O11 | doub | 1.42Å | 1.40Å | |
S10 | N12 | sing | 1.66Å | 1.64Å | |
S10 | O13 | doub | 1.42Å | 1.44Å | |
N12 | H121 | sing | 0.97Å | 1.00Å | |
N12 | H122 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C04 | O01 | H01 | 109.5° | 117.0° |
O01 | C04 | C03 | 128.0° | 120.0° |
O01 | C04 | O05 | 123.3° | 120.0° |
C03 | NP2 | HP21 | 109.5° | 111.0° |
C03 | NP2 | HP22 | 109.5° | 111.0° |
NP2 | C03 | C04 | 112.2° | 109.5° |
NP2 | C03 | C06 | 104.7° | 109.5° |
NP2 | C03 | H03 | 112.2° | 109.5° |
HP21 | NP2 | HP22 | 109.4° | 111.0° |
C04 | C03 | C06 | 113.3° | 109.5° |
C04 | C03 | H03 | 103.5° | 109.5° |
C03 | C04 | O05 | 108.7° | 120.0° |
C06 | C03 | H03 | 111.2° | 109.4° |
C03 | C06 | S07 | 107.3° | 109.5° |
C03 | C06 | H061 | 110.2° | 109.4° |
C03 | C06 | H062 | 110.6° | 109.5° |
S07 | C06 | H061 | 110.2° | 109.5° |
S07 | C06 | H062 | 110.7° | 109.5° |
C06 | S07 | C08 | 98.7° | 103.0° |
H061 | C06 | H062 | 107.8° | 109.5° |
S07 | C08 | C09 | 105.3° | 109.5° |
S07 | C08 | H081 | 110.9° | 109.5° |
S07 | C08 | H082 | 111.8° | 109.5° |
C09 | C08 | H081 | 110.9° | 109.4° |
C09 | C08 | H082 | 111.8° | 109.5° |
C08 | C09 | S10 | 111.7° | 109.5° |
C08 | C09 | H091 | 108.7° | 109.4° |
C08 | C09 | H092 | 108.3° | 109.5° |
H081 | C08 | H082 | 106.3° | 109.4° |
S10 | C09 | H091 | 108.7° | 109.5° |
S10 | C09 | H092 | 108.2° | 109.5° |
C09 | S10 | O11 | 113.4° | 110.5° |
C09 | S10 | N12 | 104.2° | 104.5° |
C09 | S10 | O13 | 114.6° | 110.5° |
H091 | C09 | H092 | 111.2° | 109.4° |
O11 | S10 | N12 | 106.6° | 104.3° |
O11 | S10 | O13 | 118.0° | 121.1° |
N12 | S10 | O13 | 97.1° | 104.2° |
S10 | N12 | H121 | 109.5° | 119.9° |
S10 | N12 | H122 | 109.5° | 120.0° |
H121 | N12 | H122 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C04 | C03 | NP2 | 138.2° | 160.0° |
O01 | C04 | C03 | O05 | 179.4° | 179.9° |
O01 | C04 | C03 | C06 | 19.8° | 79.9° |
O01 | C04 | C03 | H03 | 100.7° | 40.0° |
H01 | O01 | C04 | C03 | 179.4° | 180.0° |
H01 | O01 | C04 | O05 | 0.0° | 0.0° |
C03 | NP2 | HP21 | HP22 | 120.0° | 123.9° |
NP2 | C03 | C04 | C06 | 118.3° | 120.1° |
NP2 | C03 | C04 | H03 | 121.2° | 120.0° |
NP2 | C03 | C06 | H03 | 121.4° | 120.0° |
NP2 | C03 | C04 | O05 | 42.4° | 20.1° |
NP2 | C03 | C06 | S07 | 151.8° | 59.9° |
NP2 | C03 | C06 | H061 | 31.7° | 60.0° |
NP2 | C03 | C06 | H062 | 87.4° | 180.0° |
HP21 | NP2 | C03 | C04 | 105.4° | 63.9° |
HP21 | NP2 | C03 | C06 | 131.3° | 176.0° |
HP21 | NP2 | C03 | H03 | 10.6° | 56.1° |
HP22 | NP2 | C03 | C04 | 14.6° | 60.0° |
HP22 | NP2 | C03 | C06 | 108.7° | 60.1° |
HP22 | NP2 | C03 | H03 | 130.6° | 180.0° |
C04 | C03 | C06 | H03 | 116.0° | 120.0° |
C04 | C03 | C06 | S07 | 85.6° | 180.0° |
C04 | C03 | C06 | H061 | 154.4° | 60.0° |
C04 | C03 | C06 | H062 | 35.2° | 59.9° |
C06 | C03 | C04 | O05 | 160.7° | 100.0° |
C03 | C06 | S07 | H061 | 120.0° | 119.9° |
C03 | C06 | S07 | H062 | 120.8° | 120.1° |
C03 | C06 | H061 | H062 | 120.8° | 120.0° |
C03 | C06 | S07 | C08 | 156.7° | 180.0° |
H03 | C03 | C04 | O05 | 78.8° | 140.0° |
H03 | C03 | C06 | S07 | 30.4° | 60.0° |
H03 | C03 | C06 | H061 | 89.6° | NaN° |
H03 | C03 | C06 | H062 | 151.3° | 60.0° |
S07 | C06 | H061 | H062 | 120.9° | 120.0° |
C06 | S07 | C08 | C09 | 135.1° | 180.0° |
C06 | S07 | C08 | H081 | 15.1° | 60.0° |
C06 | S07 | C08 | H082 | 103.3° | 60.0° |
H061 | C06 | S07 | C08 | 83.2° | 60.0° |
H062 | C06 | S07 | C08 | 35.9° | 60.0° |
S07 | C08 | C09 | H081 | 120.0° | 120.0° |
S07 | C08 | C09 | H082 | 121.6° | 120.1° |
S07 | C08 | H081 | H082 | 121.7° | 120.1° |
S07 | C08 | C09 | S10 | 160.1° | 180.0° |
S07 | C08 | C09 | H091 | 40.1° | 60.0° |
S07 | C08 | C09 | H092 | 80.9° | 59.9° |
C09 | C08 | H081 | H082 | 121.7° | 119.9° |
C08 | C09 | S10 | H091 | 120.0° | 120.0° |
C08 | C09 | S10 | H092 | 119.1° | 120.0° |
C08 | C09 | H091 | H092 | 119.1° | 119.9° |
C08 | C09 | S10 | O11 | 132.7° | 68.4° |
C08 | C09 | S10 | N12 | 111.8° | 180.0° |
C08 | C09 | S10 | O13 | 6.9° | 68.4° |
H081 | C08 | C09 | S10 | 79.9° | 60.0° |
H081 | C08 | C09 | H091 | 160.1° | 180.0° |
H081 | C08 | C09 | H092 | 39.1° | 60.1° |
H082 | C08 | C09 | S10 | 38.5° | 59.9° |
H082 | C08 | C09 | H091 | 81.5° | 60.1° |
H082 | C08 | C09 | H092 | 157.5° | 180.0° |
S10 | C09 | H091 | H092 | 119.1° | 120.1° |
C09 | S10 | O11 | N12 | 114.1° | 111.8° |
C09 | S10 | O11 | O13 | 138.1° | 131.5° |
C09 | S10 | N12 | O13 | 117.7° | 116.1° |
C09 | S10 | N12 | H121 | 104.0° | 0.1° |
C09 | S10 | N12 | H122 | 16.0° | 180.0° |
H091 | C09 | S10 | O11 | 12.7° | 51.6° |
H091 | C09 | S10 | N12 | 128.2° | 60.0° |
H091 | C09 | S10 | O13 | 126.9° | 171.6° |
H092 | C09 | S10 | O11 | 108.3° | 171.6° |
H092 | C09 | S10 | N12 | 7.2° | 60.0° |
H092 | C09 | S10 | O13 | 112.1° | 51.6° |
O11 | S10 | N12 | O13 | 122.1° | 127.9° |
O11 | S10 | N12 | H121 | 16.2° | 116.0° |
O11 | S10 | N12 | H122 | 136.2° | 63.9° |
S10 | N12 | H121 | H122 | 120.0° | 179.9° |
O13 | S10 | N12 | H121 | 138.3° | 116.1° |
O13 | S10 | N12 | H122 | 101.7° | 64.0° |