M6W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | C05 | sing | 1.54Å | 1.67Å | |
C04 | C08 | sing | 1.55Å | 1.32Å | |
C04 | C03 | sing | 1.51Å | 1.55Å | |
N06 | C07 | sing | 1.48Å | 1.58Å | |
N06 | C05 | sing | 1.47Å | 1.33Å | |
C07 | C08 | sing | 1.55Å | 1.59Å | |
N02 | C03 | sing | 1.35Å | 1.44Å | |
N02 | C01 | sing | 1.47Å | 1.44Å | |
C03 | O09 | doub | 1.21Å | 1.19Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C05 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
N02 | H11 | sing | 0.97Å | 1.00Å | |
N06 | H12 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | C04 | C08 | 105.4° | 103.0° |
C05 | C04 | C03 | 108.9° | 110.7° |
C04 | C05 | N06 | 107.0° | 107.2° |
C05 | C04 | H4 | 108.5° | 110.7° |
C04 | C05 | H5 | 110.1° | 109.9° |
C04 | C05 | H6 | 110.1° | 109.9° |
C08 | C04 | C03 | 110.0° | 110.7° |
C04 | C08 | C07 | 103.7° | 101.7° |
C08 | C04 | H4 | 113.8° | 110.6° |
C04 | C08 | H9 | 110.9° | 111.0° |
C04 | C08 | H10 | 110.9° | 111.0° |
C04 | C03 | N02 | 119.1° | 120.0° |
C04 | C03 | O09 | 121.2° | 120.0° |
C03 | C04 | H4 | 110.1° | 110.8° |
C07 | N06 | C05 | 106.6° | 108.6° |
N06 | C07 | C08 | 104.8° | 104.8° |
N06 | C07 | H7 | 110.6° | 110.4° |
N06 | C07 | H8 | 110.7° | 110.5° |
C07 | N06 | H12 | 110.2° | 111.0° |
N06 | C05 | H5 | 110.1° | 109.9° |
N06 | C05 | H6 | 110.1° | 110.0° |
C05 | N06 | H12 | 110.2° | 111.0° |
C08 | C07 | H7 | 110.6° | 110.3° |
C08 | C07 | H8 | 110.6° | 110.4° |
C07 | C08 | H9 | 110.9° | 111.0° |
C07 | C08 | H10 | 110.9° | 110.9° |
C03 | N02 | C01 | 117.6° | 120.0° |
N02 | C03 | O09 | 119.7° | 120.0° |
C03 | N02 | H11 | 121.2° | 120.0° |
N02 | C01 | H1 | 109.5° | 109.4° |
N02 | C01 | H2 | 109.5° | 109.4° |
N02 | C01 | H3 | 109.4° | 109.4° |
C01 | N02 | H11 | 121.2° | 120.0° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H5 | C05 | H6 | 109.5° | 109.9° |
H7 | C07 | H8 | 109.5° | 110.3° |
H9 | C08 | H10 | 109.5° | 110.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C05 | C04 | C08 | C03 | 117.2° | 118.4° |
C05 | C04 | C08 | H4 | 118.8° | 118.4° |
C05 | C04 | C03 | H4 | 118.8° | 123.2° |
C04 | C05 | N06 | C07 | 12.3° | 1.0° |
C04 | C05 | N06 | H5 | 119.6° | 119.4° |
C04 | C05 | N06 | H6 | 119.6° | 119.5° |
C05 | C04 | C08 | C07 | 34.6° | 35.6° |
C05 | C04 | C03 | N02 | 146.1° | 61.4° |
C05 | C04 | C03 | O09 | 33.5° | 118.6° |
C04 | C05 | H5 | H6 | 121.1° | 121.0° |
C05 | C04 | C08 | H9 | 153.7° | 153.7° |
C05 | C04 | C08 | H10 | 84.5° | 82.4° |
C04 | C05 | N06 | H12 | 107.2° | 123.2° |
C08 | C04 | C03 | H4 | 126.2° | 123.2° |
C04 | C08 | C07 | N06 | 28.3° | 37.0° |
C08 | C04 | C05 | N06 | 32.6° | 22.2° |
C04 | C08 | C07 | H9 | 119.1° | 118.2° |
C04 | C08 | C07 | H10 | 119.1° | 118.1° |
C08 | C04 | C03 | N02 | 98.9° | 175.1° |
C08 | C04 | C03 | O09 | 81.5° | 4.9° |
C08 | C04 | C05 | H5 | 87.0° | 97.1° |
C08 | C04 | C05 | H6 | 152.2° | 141.8° |
C04 | C08 | C07 | H7 | 147.6° | 81.8° |
C04 | C08 | C07 | H8 | 90.9° | 156.0° |
C04 | C08 | H9 | H10 | 122.7° | 123.9° |
C03 | C04 | C05 | N06 | 150.5° | 140.7° |
C03 | C04 | C08 | C07 | 151.8° | 154.0° |
C04 | C03 | N02 | O09 | 179.7° | 180.0° |
C04 | C03 | N02 | C01 | 179.8° | 180.0° |
C03 | C04 | C05 | H5 | 30.9° | 21.3° |
C03 | C04 | C05 | H6 | 89.8° | 99.7° |
C03 | C04 | C08 | H9 | 89.1° | 87.9° |
C03 | C04 | C08 | H10 | 32.7° | 36.0° |
C04 | C03 | N02 | H11 | 0.2° | 0.1° |
C07 | N06 | C05 | H12 | 119.6° | 122.2° |
N06 | C07 | C08 | H7 | 119.3° | 118.8° |
N06 | C07 | C08 | H8 | 119.3° | 119.0° |
C07 | N06 | C05 | H5 | 107.3° | 120.4° |
C07 | N06 | C05 | H6 | 131.9° | 118.5° |
N06 | C07 | H7 | H8 | 122.2° | 122.4° |
N06 | C07 | C08 | H9 | 147.4° | 155.2° |
N06 | C07 | C08 | H10 | 90.8° | 81.1° |
C05 | N06 | C07 | C08 | 7.1° | 24.0° |
N06 | C05 | C04 | H4 | 89.6° | 96.1° |
N06 | C05 | H5 | H6 | 121.1° | 121.2° |
C05 | N06 | C07 | H7 | 126.3° | 94.7° |
C05 | N06 | C07 | H8 | 112.2° | 143.0° |
C07 | C08 | C04 | H4 | 84.2° | 82.8° |
C08 | C07 | H7 | H8 | 122.2° | 122.2° |
C07 | C08 | H9 | H10 | 122.7° | 123.8° |
C08 | C07 | N06 | H12 | 126.6° | 146.3° |
C03 | N02 | C01 | H11 | 180.0° | 179.9° |
C03 | N02 | C01 | H1 | 180.0° | 60.0° |
C03 | N02 | C01 | H2 | 60.0° | 60.0° |
C03 | N02 | C01 | H3 | 60.0° | 180.0° |
N02 | C03 | C04 | H4 | 27.3° | 61.8° |
C01 | N02 | C03 | O09 | 0.1° | 0.0° |
N02 | C01 | H1 | H2 | 120.0° | 120.0° |
N02 | C01 | H1 | H3 | 120.0° | 119.9° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
O09 | C03 | C04 | H4 | 152.4° | 118.2° |
O09 | C03 | N02 | H11 | 179.9° | 179.9° |
H1 | C01 | H2 | H3 | 120.0° | 120.1° |
H1 | C01 | N02 | H11 | 0.0° | 119.9° |
H2 | C01 | N02 | H11 | 120.0° | 120.1° |
H3 | C01 | N02 | H11 | 120.0° | 0.1° |
H4 | C04 | C05 | H5 | 150.7° | 144.5° |
H4 | C04 | C05 | H6 | 30.0° | 23.5° |
H4 | C04 | C08 | H9 | 34.9° | 35.4° |
H4 | C04 | C08 | H10 | 156.8° | 159.2° |
H5 | C05 | N06 | H12 | 133.1° | 117.4° |
H6 | C05 | N06 | H12 | 12.4° | 3.7° |
H7 | C07 | C08 | H9 | 93.3° | 36.3° |
H7 | C07 | C08 | H10 | 28.5° | 160.1° |
H7 | C07 | N06 | H12 | 114.2° | 27.5° |
H8 | C07 | C08 | H9 | 28.1° | 85.8° |
H8 | C07 | C08 | H10 | 150.0° | 38.0° |
H8 | C07 | N06 | H12 | 7.3° | 94.8° |