VNO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C09 | sing | 1.53Å | 1.43Å | |
C10 | S11 | sing | 1.81Å | 1.74Å | |
C01 | N02 | sing | 1.47Å | 1.45Å | |
C03 | N02 | sing | 1.46Å | 1.45Å | |
C04 | N02 | sing | 1.35Å | 1.46Å | |
C04 | N06 | sing | 1.35Å | 1.47Å | |
C04 | O05 | doub | 1.22Å | 1.18Å | |
C07 | N06 | sing | 1.47Å | 1.45Å | |
C08 | C14 | sing | 1.53Å | 1.44Å | |
C08 | N06 | sing | 1.46Å | 1.46Å | |
C14 | S11 | sing | 1.81Å | 1.74Å | |
O12 | S11 | doub | 1.42Å | 1.47Å | |
O13 | S11 | doub | 1.42Å | 1.47Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C03 | H8 | sing | 1.09Å | 1.10Å | |
C07 | H9 | sing | 1.09Å | 1.10Å | |
C07 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C08 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.09Å | 1.10Å | |
C09 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
C14 | H17 | sing | 1.09Å | 1.10Å | |
C14 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C09 | C10 | S11 | 104.3° | 109.5° |
C09 | C10 | H1 | 110.7° | 109.5° |
C09 | C10 | H2 | 110.7° | 109.4° |
C10 | C09 | H14 | 109.5° | 109.5° |
C10 | C09 | H15 | 109.5° | 109.4° |
C10 | C09 | H16 | 109.5° | 109.5° |
C10 | S11 | C14 | 104.1° | 101.9° |
C10 | S11 | O12 | 108.2° | 108.6° |
C10 | S11 | O13 | 107.8° | 108.6° |
S11 | C10 | H1 | 110.8° | 109.5° |
S11 | C10 | H2 | 110.7° | 109.5° |
C01 | N02 | C03 | 118.5° | 120.0° |
C01 | N02 | C04 | 123.7° | 120.1° |
N02 | C01 | H3 | 109.5° | 109.5° |
N02 | C01 | H4 | 109.4° | 109.4° |
N02 | C01 | H5 | 109.4° | 109.4° |
C03 | N02 | C04 | 117.8° | 120.0° |
N02 | C03 | H6 | 109.5° | 109.5° |
N02 | C03 | H7 | 109.5° | 109.5° |
N02 | C03 | H8 | 109.5° | 109.5° |
N02 | C04 | N06 | 126.3° | 120.0° |
N02 | C04 | O05 | 116.2° | 120.0° |
N06 | C04 | O05 | 117.6° | 120.0° |
C04 | N06 | C07 | 122.5° | 120.0° |
C04 | N06 | C08 | 119.1° | 120.0° |
C07 | N06 | C08 | 118.4° | 120.0° |
N06 | C07 | H9 | 109.5° | 109.4° |
N06 | C07 | H10 | 109.4° | 109.5° |
N06 | C07 | H11 | 109.5° | 109.5° |
C14 | C08 | N06 | 111.2° | 109.5° |
C08 | C14 | S11 | 106.9° | 109.5° |
C14 | C08 | H12 | 109.1° | 109.5° |
C14 | C08 | H13 | 109.0° | 109.4° |
C08 | C14 | H17 | 110.1° | 109.4° |
C08 | C14 | H18 | 110.1° | 109.5° |
N06 | C08 | H12 | 109.0° | 109.6° |
N06 | C08 | H13 | 109.0° | 109.5° |
C14 | S11 | O12 | 109.8° | 108.6° |
C14 | S11 | O13 | 108.0° | 108.6° |
S11 | C14 | H17 | 110.1° | 109.5° |
S11 | C14 | H18 | 110.1° | 109.5° |
O12 | S11 | O13 | 118.1° | 119.2° |
H1 | C10 | H2 | 109.5° | 109.5° |
H3 | C01 | H4 | 109.5° | 109.5° |
H3 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.5° |
H6 | C03 | H7 | 109.5° | 109.5° |
H6 | C03 | H8 | 109.4° | 109.4° |
H7 | C03 | H8 | 109.5° | 109.5° |
H9 | C07 | H10 | 109.4° | 109.5° |
H9 | C07 | H11 | 109.5° | 109.4° |
H10 | C07 | H11 | 109.5° | 109.5° |
H12 | C08 | H13 | 109.5° | 109.4° |
H14 | C09 | H15 | 109.4° | 109.5° |
H14 | C09 | H16 | 109.5° | 109.5° |
H15 | C09 | H16 | 109.5° | 109.5° |
H17 | C14 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C09 | C10 | S11 | H1 | 119.2° | 120.1° |
C09 | C10 | S11 | H2 | 119.2° | 120.0° |
C09 | C10 | S11 | C14 | 29.1° | 180.0° |
C09 | C10 | S11 | O12 | 145.8° | 65.4° |
C09 | C10 | S11 | O13 | 85.5° | 65.5° |
C09 | C10 | H1 | H2 | 122.4° | 120.0° |
C10 | C09 | H14 | H15 | 120.0° | 119.9° |
C10 | C09 | H14 | H16 | 120.0° | 120.1° |
C10 | C09 | H15 | H16 | 120.0° | 120.1° |
C10 | S11 | C14 | C08 | 18.1° | 180.0° |
C10 | S11 | C14 | O12 | 115.6° | 114.5° |
C10 | S11 | C14 | O13 | 114.4° | 114.5° |
C10 | S11 | O12 | O13 | 122.7° | 124.9° |
S11 | C10 | H1 | H2 | 122.4° | 120.0° |
S11 | C10 | C09 | H14 | 180.0° | 180.0° |
S11 | C10 | C09 | H15 | 60.0° | 60.1° |
S11 | C10 | C09 | H16 | 60.0° | 60.0° |
C10 | S11 | C14 | H17 | 137.7° | 60.0° |
C10 | S11 | C14 | H18 | 101.5° | 60.0° |
C01 | N02 | C03 | C04 | 179.9° | 179.9° |
C01 | N02 | C04 | N06 | 0.4° | 160.1° |
C01 | N02 | C04 | O05 | 179.7° | 20.0° |
N02 | C01 | H3 | H4 | 120.0° | 120.0° |
N02 | C01 | H3 | H5 | 120.0° | 120.0° |
N02 | C01 | H4 | H5 | 119.9° | 119.9° |
C01 | N02 | C03 | H6 | 180.0° | 95.7° |
C01 | N02 | C03 | H7 | 60.0° | 144.3° |
C01 | N02 | C03 | H8 | 60.0° | 24.3° |
C03 | N02 | C04 | N06 | 179.7° | 19.9° |
C03 | N02 | C04 | O05 | 0.4° | 160.1° |
C03 | N02 | C01 | H3 | 180.0° | 0.0° |
C03 | N02 | C01 | H4 | 60.0° | 120.1° |
C03 | N02 | C01 | H5 | 60.0° | 120.0° |
N02 | C03 | H6 | H7 | 120.0° | 120.0° |
N02 | C03 | H6 | H8 | 120.0° | 120.0° |
N02 | C03 | H7 | H8 | 120.0° | 120.0° |
N02 | C04 | N06 | O05 | 179.3° | 180.0° |
N02 | C04 | N06 | C07 | 0.4° | 12.1° |
N02 | C04 | N06 | C08 | 179.9° | 167.9° |
C04 | N02 | C01 | H3 | 0.1° | 180.0° |
C04 | N02 | C01 | H4 | 120.1° | 60.0° |
C04 | N02 | C01 | H5 | 119.9° | 59.9° |
C04 | N02 | C03 | H6 | 0.1° | 84.2° |
C04 | N02 | C03 | H7 | 119.9° | 35.8° |
C04 | N02 | C03 | H8 | 120.1° | 155.8° |
C04 | N06 | C07 | C08 | 179.7° | 180.0° |
C04 | N06 | C08 | C14 | 136.4° | 90.1° |
C04 | N06 | C07 | H9 | 180.0° | 81.1° |
C04 | N06 | C07 | H10 | 60.0° | 158.9° |
C04 | N06 | C07 | H11 | 60.0° | 38.8° |
C04 | N06 | C08 | H12 | 103.4° | 30.0° |
C04 | N06 | C08 | H13 | 16.1° | 150.0° |
O05 | C04 | N06 | C07 | 179.8° | 167.9° |
O05 | C04 | N06 | C08 | 0.6° | 12.1° |
C07 | N06 | C08 | C14 | 43.4° | 90.0° |
N06 | C07 | H9 | H10 | 120.0° | 120.0° |
N06 | C07 | H9 | H11 | 120.0° | 119.9° |
N06 | C07 | H10 | H11 | 120.0° | 120.0° |
C07 | N06 | C08 | H12 | 76.9° | 150.0° |
C07 | N06 | C08 | H13 | 163.6° | 30.0° |
C14 | C08 | N06 | H12 | 120.3° | 120.1° |
C14 | C08 | N06 | H13 | 120.2° | 119.9° |
C08 | C14 | S11 | H17 | 119.6° | 120.0° |
C08 | C14 | S11 | H18 | 119.6° | 120.0° |
C08 | C14 | S11 | O12 | 133.7° | 65.5° |
C08 | C14 | S11 | O13 | 96.3° | 65.5° |
C14 | C08 | H12 | H13 | 119.2° | 120.0° |
C08 | C14 | H17 | H18 | 121.2° | 120.0° |
N06 | C08 | C14 | S11 | 120.2° | 180.0° |
C08 | N06 | C07 | H9 | 0.3° | 98.9° |
C08 | N06 | C07 | H10 | 120.3° | 21.1° |
C08 | N06 | C07 | H11 | 119.7° | 141.2° |
N06 | C08 | H12 | H13 | 119.2° | 120.0° |
N06 | C08 | C14 | H17 | 0.6° | 60.0° |
N06 | C08 | C14 | H18 | 120.2° | 60.0° |
C14 | S11 | O12 | O13 | 124.3° | 125.0° |
C14 | S11 | C10 | H1 | 90.1° | 59.9° |
C14 | S11 | C10 | H2 | 148.2° | 60.0° |
S11 | C14 | C08 | H12 | 0.1° | 59.9° |
S11 | C14 | C08 | H13 | 119.6° | 60.0° |
S11 | C14 | H17 | H18 | 121.2° | 120.0° |
O12 | S11 | C10 | H1 | 26.6° | 174.5° |
O12 | S11 | C10 | H2 | 95.1° | 54.5° |
O12 | S11 | C14 | H17 | 106.7° | 54.5° |
O12 | S11 | C14 | H18 | 14.1° | 174.5° |
O13 | S11 | C10 | H1 | 155.4° | 54.5° |
O13 | S11 | C10 | H2 | 33.7° | 174.5° |
O13 | S11 | C14 | H17 | 23.3° | 174.5° |
O13 | S11 | C14 | H18 | 144.2° | 54.5° |
H1 | C10 | C09 | H14 | 60.8° | 60.0° |
H1 | C10 | C09 | H15 | 59.2° | 60.0° |
H1 | C10 | C09 | H16 | 179.2° | 180.0° |
H2 | C10 | C09 | H14 | 60.9° | 60.0° |
H2 | C10 | C09 | H15 | 179.2° | 180.0° |
H2 | C10 | C09 | H16 | 59.2° | 60.0° |
H3 | C01 | H4 | H5 | 120.0° | 120.0° |
H6 | C03 | H7 | H8 | 120.0° | 120.0° |
H9 | C07 | H10 | H11 | 120.0° | 120.0° |
H12 | C08 | C14 | H17 | 119.7° | 60.1° |
H12 | C08 | C14 | H18 | 119.5° | 179.9° |
H13 | C08 | C14 | H17 | 120.9° | 180.0° |
H13 | C08 | C14 | H18 | 0.0° | 60.0° |
H14 | C09 | H15 | H16 | 120.0° | 120.0° |