0XW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O06 | C05 | sing | 1.43Å | 1.39Å | |
C05 | C04 | sing | 1.55Å | 1.49Å | |
C05 | C07 | sing | 1.55Å | 1.46Å | |
C04 | N02 | sing | 1.48Å | 1.44Å | |
C07 | C08 | sing | 1.54Å | 1.60Å | |
C01 | N02 | sing | 1.47Å | 1.46Å | |
N02 | C03 | sing | 1.47Å | 1.45Å | |
N02 | C08 | sing | 1.47Å | 1.45Å | |
C08 | C09 | sing | 1.51Å | 1.51Å | |
C09 | O10 | doub | 1.22Å | 1.26Å | |
C09 | O11 | sing | 1.22Å | 1.27Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
O06 | H10 | sing | 0.97Å | 0.95Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O06 | C05 | C04 | 109.8° | 111.0° |
O06 | C05 | C07 | 125.0° | 111.0° |
O06 | C05 | H9 | 105.8° | 110.9° |
C05 | O06 | H10 | 109.5° | 114.0° |
C04 | C05 | C07 | 104.8° | 101.7° |
C05 | C04 | N02 | 107.4° | 104.8° |
C05 | C04 | H7 | 110.0° | 110.4° |
C05 | C04 | H8 | 110.0° | 110.5° |
C04 | C05 | H9 | 104.7° | 111.0° |
C05 | C07 | C08 | 97.6° | 103.0° |
C07 | C05 | H9 | 105.0° | 110.9° |
C05 | C07 | H11 | 112.4° | 110.7° |
C05 | C07 | H12 | 112.3° | 110.8° |
C04 | N02 | C01 | 110.3° | 109.7° |
C04 | N02 | C03 | 107.5° | 109.7° |
C04 | N02 | C08 | 106.2° | 108.4° |
N02 | C04 | H7 | 110.0° | 110.4° |
N02 | C04 | H8 | 110.0° | 110.4° |
C07 | C08 | N02 | 99.9° | 107.4° |
C07 | C08 | C09 | 116.2° | 109.9° |
C08 | C07 | H11 | 112.3° | 110.7° |
C08 | C07 | H12 | 112.4° | 110.7° |
C07 | C08 | H13 | 106.7° | 109.8° |
C01 | N02 | C03 | 108.2° | 109.7° |
C01 | N02 | C08 | 115.1° | 109.7° |
N02 | C01 | H1 | 109.5° | 109.4° |
N02 | C01 | H2 | 109.4° | 109.5° |
N02 | C01 | H3 | 109.5° | 109.5° |
C03 | N02 | C08 | 109.4° | 109.7° |
N02 | C03 | H4 | 109.5° | 109.5° |
N02 | C03 | H5 | 109.5° | 109.5° |
N02 | C03 | H6 | 109.5° | 109.5° |
N02 | C08 | C09 | 117.1° | 109.9° |
N02 | C08 | H13 | 108.5° | 109.9° |
C08 | C09 | O10 | 119.9° | 120.1° |
C08 | C09 | O11 | 121.5° | 120.0° |
C09 | C08 | H13 | 107.7° | 110.0° |
O10 | C09 | O11 | 118.6° | 120.0° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C03 | H5 | 109.5° | 109.5° |
H4 | C03 | H6 | 109.5° | 109.5° |
H5 | C03 | H6 | 109.5° | 109.5° |
H7 | C04 | H8 | 109.5° | 110.3° |
H11 | C07 | H12 | 109.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O06 | C05 | C04 | C07 | 136.5° | 118.1° |
O06 | C05 | C04 | H9 | 113.2° | 123.9° |
O06 | C05 | C07 | H9 | 122.2° | 123.8° |
O06 | C05 | C04 | N02 | 116.8° | 155.2° |
O06 | C05 | C07 | C08 | 87.4° | 153.8° |
O06 | C05 | C04 | H7 | 123.5° | 36.3° |
O06 | C05 | C04 | H8 | 2.9° | 86.0° |
O06 | C05 | C07 | H11 | 30.5° | 35.4° |
O06 | C05 | C07 | H12 | 154.6° | 87.9° |
C04 | C05 | C07 | H9 | 110.1° | 118.1° |
C05 | C04 | N02 | H7 | 119.7° | 118.9° |
C05 | C04 | N02 | H8 | 119.7° | 118.9° |
C04 | C05 | C07 | C08 | 40.3° | 35.7° |
C05 | C04 | N02 | C01 | 112.0° | 95.7° |
C05 | C04 | N02 | C03 | 130.3° | 143.8° |
C05 | C04 | N02 | C08 | 13.3° | 24.0° |
C05 | C04 | H7 | H8 | 120.9° | 122.3° |
C04 | C05 | O06 | H10 | 180.0° | 180.0° |
C04 | C05 | C07 | H11 | 158.3° | 82.7° |
C04 | C05 | C07 | H12 | 77.7° | 154.0° |
C07 | C05 | C04 | N02 | 19.7° | 37.1° |
C05 | C07 | C08 | H11 | 118.0° | 118.4° |
C05 | C07 | C08 | H12 | 118.0° | 118.4° |
C05 | C07 | C08 | N02 | 48.1° | 22.3° |
C05 | C07 | C08 | C09 | 175.1° | 97.1° |
C07 | C05 | C04 | H7 | 100.0° | 81.8° |
C07 | C05 | C04 | H8 | 139.4° | 156.0° |
C07 | C05 | O06 | H10 | 54.3° | 67.7° |
C05 | C07 | H11 | H12 | 125.6° | 123.3° |
C05 | C07 | C08 | H13 | 64.8° | 141.8° |
C04 | N02 | C08 | C07 | 37.6° | 0.9° |
C04 | N02 | C01 | C03 | 117.2° | 120.5° |
C04 | N02 | C01 | C08 | 120.1° | 119.0° |
C04 | N02 | C03 | C08 | 114.9° | 118.9° |
C04 | N02 | C08 | C09 | 163.9° | 120.4° |
C04 | N02 | C01 | H1 | 180.0° | 170.1° |
C04 | N02 | C01 | H2 | 60.0° | 50.1° |
C04 | N02 | C01 | H3 | 60.0° | 69.9° |
C04 | N02 | C03 | H4 | 180.0° | 61.3° |
C04 | N02 | C03 | H5 | 60.0° | 58.7° |
C04 | N02 | C03 | H6 | 60.0° | 178.7° |
N02 | C04 | H7 | H8 | 121.0° | 122.2° |
N02 | C04 | C05 | H9 | 130.0° | 81.0° |
C04 | N02 | C08 | H13 | 73.9° | 118.5° |
C07 | C08 | N02 | C01 | 84.7° | 118.8° |
C07 | C08 | N02 | C03 | 153.3° | 120.6° |
C07 | C08 | N02 | C09 | 126.4° | 119.5° |
C07 | C08 | N02 | H13 | 111.4° | 119.4° |
C07 | C08 | C09 | H13 | 119.5° | 121.0° |
C07 | C08 | C09 | O10 | 36.9° | 118.0° |
C07 | C08 | C09 | O11 | 144.9° | 61.9° |
C08 | C07 | C05 | H9 | 150.4° | 82.4° |
C08 | C07 | H11 | H12 | 125.6° | 123.2° |
C01 | N02 | C03 | C08 | 126.1° | 120.5° |
C01 | N02 | C08 | C09 | 41.7° | 0.7° |
N02 | C01 | H1 | H2 | 120.0° | 120.0° |
N02 | C01 | H1 | H3 | 120.0° | 119.9° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | N02 | C03 | H4 | 61.0° | 59.2° |
C01 | N02 | C03 | H5 | 59.0° | 179.2° |
C01 | N02 | C03 | H6 | 179.0° | 60.8° |
C01 | N02 | C04 | H7 | 7.7° | 145.4° |
C01 | N02 | C04 | H8 | 128.3° | 23.2° |
C01 | N02 | C08 | H13 | 163.9° | 121.8° |
C03 | N02 | C08 | C09 | 80.4° | 119.9° |
C03 | N02 | C01 | H1 | 62.7° | 69.4° |
C03 | N02 | C01 | H2 | 177.2° | 170.6° |
C03 | N02 | C01 | H3 | 57.2° | 50.6° |
N02 | C03 | H4 | H5 | 120.0° | 120.0° |
N02 | C03 | H4 | H6 | 120.0° | 120.0° |
N02 | C03 | H5 | H6 | 120.0° | 120.0° |
C03 | N02 | C04 | H7 | 110.0° | 24.9° |
C03 | N02 | C04 | H8 | 10.7° | 97.3° |
C03 | N02 | C08 | H13 | 41.8° | 1.2° |
N02 | C08 | C09 | H13 | 122.6° | 121.1° |
N02 | C08 | C09 | O10 | 154.8° | 124.1° |
N02 | C08 | C09 | O11 | 27.0° | 56.0° |
C08 | N02 | C01 | H1 | 60.0° | 51.2° |
C08 | N02 | C01 | H2 | 60.0° | 68.8° |
C08 | N02 | C01 | H3 | 179.9° | 171.1° |
C08 | N02 | C03 | H4 | 65.1° | 179.7° |
C08 | N02 | C03 | H5 | 174.9° | 60.3° |
C08 | N02 | C03 | H6 | 54.9° | 59.7° |
C08 | N02 | C04 | H7 | 133.0° | 94.8° |
C08 | N02 | C04 | H8 | 106.4° | 143.0° |
N02 | C08 | C07 | H11 | 166.1° | 96.0° |
N02 | C08 | C07 | H12 | 69.9° | 140.8° |
C08 | C09 | O10 | O11 | 178.2° | 179.9° |
C09 | C08 | C07 | H11 | 66.9° | 144.5° |
C09 | C08 | C07 | H12 | 57.1° | 21.3° |
O10 | C09 | C08 | H13 | 82.6° | 3.0° |
O11 | C09 | C08 | H13 | 95.6° | 177.1° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C03 | H5 | H6 | 120.0° | 120.0° |
H7 | C04 | C05 | H9 | 10.3° | 160.2° |
H8 | C04 | C05 | H9 | 110.3° | 37.9° |
H9 | C05 | O06 | H10 | 67.5° | 56.1° |
H9 | C05 | C07 | H11 | 91.6° | 159.3° |
H9 | C05 | C07 | H12 | 32.4° | 36.0° |
H11 | C07 | C08 | H13 | 53.2° | 23.4° |
H12 | C07 | C08 | H13 | 177.2° | 99.8° |