Q9Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.53Å | 1.58Å | |
C03 | C02 | sing | 1.53Å | 1.49Å | |
C02 | C04 | sing | 1.53Å | 1.55Å | |
N10 | N11 | doub | 1.28Å | 1.40Å | |
N10 | C08 | sing | 1.35Å | 1.40Å | |
N11 | N06 | sing | 1.29Å | 1.43Å | |
O09 | C08 | doub | 1.21Å | 1.20Å | |
C08 | C07 | sing | 1.52Å | 1.49Å | |
C04 | C05 | sing | 1.53Å | 1.55Å | |
N06 | C05 | sing | 1.46Å | 1.43Å | |
N06 | C07 | sing | 1.48Å | 1.41Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C04 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.09Å | 1.10Å | |
C05 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C07 | H13 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 110.5° | 109.5° |
C01 | C02 | C04 | 109.8° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.4° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.5° |
C01 | C02 | H4 | 107.6° | 109.4° |
C03 | C02 | C04 | 112.1° | 109.5° |
C03 | C02 | H4 | 108.7° | 109.5° |
C02 | C03 | H5 | 109.5° | 109.5° |
C02 | C03 | H6 | 109.5° | 109.5° |
C02 | C03 | H7 | 109.5° | 109.5° |
C02 | C04 | C05 | 113.1° | 109.5° |
C04 | C02 | H4 | 108.0° | 109.5° |
C02 | C04 | H8 | 108.5° | 109.5° |
C02 | C04 | H9 | 108.5° | 109.4° |
N11 | N10 | C08 | 108.4° | 112.1° |
N10 | N11 | N06 | 107.8° | 114.9° |
N10 | C08 | O09 | 126.3° | 127.9° |
N10 | C08 | C07 | 108.0° | 104.1° |
N11 | N06 | C05 | 107.3° | 126.7° |
N11 | N06 | C07 | 109.0° | 106.7° |
O09 | C08 | C07 | 125.7° | 128.0° |
C08 | C07 | N06 | 103.8° | 102.3° |
C08 | C07 | H12 | 110.9° | 110.8° |
C08 | C07 | H13 | 110.9° | 110.8° |
C04 | C05 | N06 | 107.6° | 109.5° |
C05 | C04 | H8 | 108.6° | 109.5° |
C05 | C04 | H9 | 108.6° | 109.5° |
C04 | C05 | H10 | 109.9° | 109.4° |
C04 | C05 | H11 | 110.0° | 109.4° |
C05 | N06 | C07 | 143.6° | 126.6° |
N06 | C05 | H10 | 109.9° | 109.5° |
N06 | C05 | H11 | 109.9° | 109.5° |
N06 | C07 | H12 | 110.9° | 110.9° |
N06 | C07 | H13 | 110.9° | 110.9° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.4° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H5 | C03 | H6 | 109.4° | 109.4° |
H5 | C03 | H7 | 109.5° | 109.4° |
H6 | C03 | H7 | 109.5° | 109.5° |
H8 | C04 | H9 | 109.5° | 109.4° |
H10 | C05 | H11 | 109.5° | 109.5° |
H12 | C07 | H13 | 109.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C03 | C04 | 122.8° | 120.0° |
C01 | C02 | C03 | H4 | 117.9° | 120.0° |
C01 | C02 | C04 | H4 | 117.1° | 119.9° |
C01 | C02 | C04 | C05 | 142.7° | 65.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | C03 | H5 | 180.0° | 60.0° |
C01 | C02 | C03 | H6 | 60.0° | 180.0° |
C01 | C02 | C03 | H7 | 60.0° | 60.0° |
C01 | C02 | C04 | H8 | 22.2° | 175.0° |
C01 | C02 | C04 | H9 | 96.7° | 55.1° |
C03 | C02 | C04 | H4 | 119.7° | 120.0° |
C03 | C02 | C04 | C05 | 19.5° | 175.0° |
C03 | C02 | C01 | H1 | 180.0° | 60.0° |
C03 | C02 | C01 | H2 | 60.0° | 60.0° |
C03 | C02 | C01 | H3 | 60.0° | 180.0° |
C02 | C03 | H5 | H6 | 120.0° | 120.0° |
C02 | C03 | H5 | H7 | 120.0° | 120.0° |
C02 | C03 | H6 | H7 | 120.0° | 120.0° |
C03 | C02 | C04 | H8 | 101.0° | 54.9° |
C03 | C02 | C04 | H9 | 140.1° | 65.0° |
C02 | C04 | C05 | H8 | 120.5° | 120.0° |
C02 | C04 | C05 | H9 | 120.5° | 120.0° |
C02 | C04 | C05 | N06 | 112.7° | 180.0° |
C04 | C02 | C01 | H1 | 55.8° | 60.0° |
C04 | C02 | C01 | H2 | 64.2° | 180.0° |
C04 | C02 | C01 | H3 | 175.8° | 59.9° |
C04 | C02 | C03 | H5 | 57.2° | 60.0° |
C04 | C02 | C03 | H6 | 177.2° | 60.0° |
C04 | C02 | C03 | H7 | 62.8° | 180.0° |
C02 | C04 | H8 | H9 | 118.3° | 119.9° |
C02 | C04 | C05 | H10 | 127.6° | 60.0° |
C02 | C04 | C05 | H11 | 7.0° | 60.0° |
N11 | N10 | C08 | O09 | 169.4° | 179.9° |
N11 | N10 | C08 | C07 | 10.4° | 0.1° |
N10 | N11 | N06 | C05 | 168.2° | 179.9° |
N10 | N11 | N06 | C07 | 11.3° | 0.0° |
C08 | N10 | N11 | N06 | 0.1° | 0.0° |
N10 | C08 | O09 | C07 | 179.8° | 180.0° |
N10 | C08 | C07 | N06 | 16.9° | 0.1° |
N10 | C08 | C07 | H12 | 102.2° | 118.1° |
N10 | C08 | C07 | H13 | 136.0° | 118.4° |
N11 | N06 | C07 | C08 | 16.9° | 0.1° |
N11 | N06 | C05 | C04 | 115.6° | 90.0° |
N11 | N06 | C05 | C07 | 179.3° | 180.0° |
N11 | N06 | C05 | H10 | 124.7° | 150.1° |
N11 | N06 | C05 | H11 | 4.1° | 30.0° |
N11 | N06 | C07 | H12 | 102.2° | 118.1° |
N11 | N06 | C07 | H13 | 136.0° | 118.3° |
O09 | C08 | C07 | N06 | 162.9° | 179.9° |
O09 | C08 | C07 | H12 | 78.0° | 61.9° |
O09 | C08 | C07 | H13 | 43.8° | 61.6° |
C08 | C07 | N06 | C05 | 162.4° | 179.9° |
C08 | C07 | N06 | H12 | 119.1° | 118.2° |
C08 | C07 | N06 | H13 | 119.1° | 118.2° |
C08 | C07 | H12 | H13 | 122.6° | 123.5° |
C04 | C05 | N06 | H10 | 119.7° | 120.0° |
C04 | C05 | N06 | H11 | 119.7° | 120.0° |
C04 | C05 | N06 | C07 | 63.7° | 90.0° |
C05 | C04 | C02 | H4 | 100.2° | 55.0° |
C05 | C04 | H8 | H9 | 118.4° | 120.0° |
C04 | C05 | H10 | H11 | 120.9° | 119.9° |
N06 | C05 | C04 | H8 | 7.8° | 60.0° |
N06 | C05 | C04 | H9 | 126.7° | 60.0° |
N06 | C05 | H10 | H11 | 120.9° | 120.1° |
C05 | N06 | C07 | H12 | 78.5° | 61.9° |
C05 | N06 | C07 | H13 | 43.3° | 61.7° |
C07 | N06 | C05 | H10 | 56.0° | 30.0° |
C07 | N06 | C05 | H11 | 176.6° | 150.0° |
N06 | C07 | H12 | H13 | 122.7° | 123.6° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | C02 | H4 | 61.5° | 180.0° |
H2 | C01 | C02 | H4 | 178.5° | 60.0° |
H3 | C01 | C02 | H4 | 58.5° | 60.0° |
H4 | C02 | C03 | H5 | 62.1° | 180.0° |
H4 | C02 | C03 | H6 | 57.9° | 60.0° |
H4 | C02 | C03 | H7 | 177.9° | 60.0° |
H4 | C02 | C04 | H8 | 139.3° | 65.1° |
H4 | C02 | C04 | H9 | 20.3° | 175.0° |
H5 | C03 | H6 | H7 | 120.0° | 119.9° |
H8 | C04 | C05 | H10 | 111.9° | 180.0° |
H8 | C04 | C05 | H11 | 127.5° | 60.0° |
H9 | C04 | C05 | H10 | 7.0° | 60.0° |
H9 | C04 | C05 | H11 | 113.5° | 180.0° |