2ZO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C4 | doub | 1.21Å | 1.13Å | |
C4 | C3 | sing | 1.51Å | 1.51Å | |
C3 | C2 | sing | 1.53Å | 1.47Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C1 | N | sing | 1.47Å | 1.47Å | |
N | C7 | sing | 1.47Å | 1.46Å | |
N | C6 | sing | 1.47Å | 1.49Å | |
N | C5 | sing | 1.47Å | 1.49Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
C7 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C6 | H13 | sing | 1.09Å | 1.10Å | |
C5 | H14 | sing | 1.09Å | 1.10Å | |
C5 | H15 | sing | 1.09Å | 1.10Å | |
C5 | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C4 | C3 | 123.3° | 120.0° |
O | C4 | H1 | 118.4° | 120.0° |
C4 | C3 | C2 | 82.4° | 109.5° |
C3 | C4 | H1 | 118.3° | 120.0° |
C4 | C3 | H2 | 115.8° | 109.5° |
C4 | C3 | H3 | 115.7° | 109.5° |
C3 | C2 | C1 | 103.4° | 109.4° |
C2 | C3 | H2 | 115.7° | 109.5° |
C2 | C3 | H3 | 115.8° | 109.5° |
C3 | C2 | H4 | 111.0° | 109.5° |
C3 | C2 | H5 | 110.9° | 109.5° |
C2 | C1 | N | 99.6° | 109.5° |
C1 | C2 | H4 | 110.9° | 109.5° |
C1 | C2 | H5 | 110.9° | 109.5° |
C2 | C1 | H6 | 111.9° | 109.5° |
C2 | C1 | H7 | 111.9° | 109.5° |
C1 | N | C7 | 101.6° | 109.4° |
C1 | N | C6 | 108.3° | 109.5° |
C1 | N | C5 | 112.2° | 109.5° |
N | C1 | H6 | 111.9° | 109.5° |
N | C1 | H7 | 111.9° | 109.4° |
C7 | N | C6 | 110.5° | 109.5° |
C7 | N | C5 | 109.3° | 109.5° |
N | C7 | H8 | 109.5° | 109.5° |
N | C7 | H9 | 109.4° | 109.5° |
N | C7 | H10 | 109.4° | 109.5° |
C6 | N | C5 | 114.2° | 109.5° |
N | C6 | H11 | 109.5° | 109.5° |
N | C6 | H12 | 109.5° | 109.4° |
N | C6 | H13 | 109.5° | 109.5° |
N | C5 | H14 | 109.5° | 109.5° |
N | C5 | H15 | 109.5° | 109.5° |
N | C5 | H16 | 109.4° | 109.5° |
H2 | C3 | H3 | 109.5° | 109.5° |
H4 | C2 | H5 | 109.5° | 109.5° |
H6 | C1 | H7 | 109.5° | 109.5° |
H8 | C7 | H9 | 109.5° | 109.4° |
H8 | C7 | H10 | 109.5° | 109.5° |
H9 | C7 | H10 | 109.5° | 109.4° |
H11 | C6 | H12 | 109.5° | 109.5° |
H11 | C6 | H13 | 109.4° | 109.5° |
H12 | C6 | H13 | 109.5° | 109.5° |
H14 | C5 | H15 | 109.5° | 109.5° |
H14 | C5 | H16 | 109.5° | 109.4° |
H15 | C5 | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C4 | C3 | H1 | 180.0° | 179.8° |
O | C4 | C3 | C2 | 146.8° | 125.0° |
O | C4 | C3 | H2 | 98.2° | 115.0° |
O | C4 | C3 | H3 | 31.8° | 5.0° |
C4 | C3 | C2 | H2 | 115.0° | 120.0° |
C4 | C3 | C2 | H3 | 115.0° | 120.0° |
C4 | C3 | C2 | C1 | 69.2° | 180.0° |
C4 | C3 | H2 | H3 | 133.0° | 120.0° |
C4 | C3 | C2 | H4 | 49.8° | 60.0° |
C4 | C3 | C2 | H5 | 171.8° | 60.0° |
C3 | C2 | C1 | H4 | 119.0° | 120.0° |
C3 | C2 | C1 | H5 | 119.0° | 120.0° |
C3 | C2 | C1 | N | 163.8° | 180.0° |
C2 | C3 | C4 | H1 | 33.2° | 54.7° |
C2 | C3 | H2 | H3 | 133.0° | 120.0° |
C3 | C2 | H4 | H5 | 122.8° | 120.0° |
C3 | C2 | C1 | H6 | 45.4° | 60.0° |
C3 | C2 | C1 | H7 | 77.8° | 60.0° |
C2 | C1 | N | H6 | 118.4° | 120.0° |
C2 | C1 | N | H7 | 118.3° | 120.0° |
C2 | C1 | N | C7 | 85.2° | 60.0° |
C2 | C1 | N | C6 | 158.4° | 180.0° |
C2 | C1 | N | C5 | 31.4° | 60.0° |
C1 | C2 | C3 | H2 | 175.8° | 60.0° |
C1 | C2 | C3 | H3 | 45.8° | 60.0° |
C1 | C2 | H4 | H5 | 122.8° | 120.0° |
C2 | C1 | H6 | H7 | 124.6° | 120.0° |
C1 | N | C7 | C6 | 114.8° | 120.0° |
C1 | N | C7 | C5 | 118.7° | 120.0° |
C1 | N | C6 | C5 | 125.8° | 120.0° |
N | C1 | C2 | H4 | 77.2° | 60.0° |
N | C1 | C2 | H5 | 44.8° | 60.0° |
N | C1 | H6 | H7 | 124.6° | 120.0° |
C1 | N | C7 | H8 | 180.0° | 60.0° |
C1 | N | C7 | H9 | 60.0° | 180.0° |
C1 | N | C7 | H10 | 60.0° | 60.0° |
C1 | N | C6 | H11 | 180.0° | 60.0° |
C1 | N | C6 | H12 | 60.0° | 180.0° |
C1 | N | C6 | H13 | 60.0° | 59.9° |
C1 | N | C5 | H14 | 180.0° | 59.9° |
C1 | N | C5 | H15 | 60.0° | 180.0° |
C1 | N | C5 | H16 | 60.0° | 60.0° |
C7 | N | C6 | C5 | 123.7° | 120.0° |
C7 | N | C1 | H6 | 156.4° | 60.0° |
C7 | N | C1 | H7 | 33.2° | 180.0° |
N | C7 | H8 | H9 | 120.0° | 120.0° |
N | C7 | H8 | H10 | 120.0° | 120.1° |
N | C7 | H9 | H10 | 120.0° | 120.0° |
C7 | N | C6 | H11 | 69.5° | 180.0° |
C7 | N | C6 | H12 | 170.5° | 60.0° |
C7 | N | C6 | H13 | 50.5° | 60.0° |
C7 | N | C5 | H14 | 68.1° | 60.0° |
C7 | N | C5 | H15 | 51.9° | 60.1° |
C7 | N | C5 | H16 | 171.9° | 180.0° |
C6 | N | C1 | H6 | 40.0° | 60.0° |
C6 | N | C1 | H7 | 83.3° | 60.0° |
C6 | N | C7 | H8 | 65.2° | 59.9° |
C6 | N | C7 | H9 | 54.8° | 60.0° |
C6 | N | C7 | H10 | 174.8° | 180.0° |
N | C6 | H11 | H12 | 120.0° | 119.9° |
N | C6 | H11 | H13 | 120.0° | 120.0° |
N | C6 | H12 | H13 | 120.0° | 120.0° |
C6 | N | C5 | H14 | 56.3° | 180.0° |
C6 | N | C5 | H15 | 176.3° | 60.0° |
C6 | N | C5 | H16 | 63.7° | 60.0° |
C5 | N | C1 | H6 | 86.9° | 180.0° |
C5 | N | C1 | H7 | 149.8° | 60.0° |
C5 | N | C7 | H8 | 61.3° | 180.0° |
C5 | N | C7 | H9 | 178.7° | 60.0° |
C5 | N | C7 | H10 | 58.7° | 60.0° |
C5 | N | C6 | H11 | 54.2° | 60.0° |
C5 | N | C6 | H12 | 65.8° | 60.0° |
C5 | N | C6 | H13 | 174.2° | 180.0° |
N | C5 | H14 | H15 | 120.0° | 120.1° |
N | C5 | H14 | H16 | 120.0° | 120.0° |
N | C5 | H15 | H16 | 120.0° | 120.0° |
H1 | C4 | C3 | H2 | 81.8° | 65.3° |
H1 | C4 | C3 | H3 | 148.2° | 174.7° |
H2 | C3 | C2 | H4 | 65.2° | 180.0° |
H2 | C3 | C2 | H5 | 56.8° | 60.0° |
H3 | C3 | C2 | H4 | 164.8° | 59.9° |
H3 | C3 | C2 | H5 | 73.2° | 180.0° |
H4 | C2 | C1 | H6 | 164.5° | 180.0° |
H4 | C2 | C1 | H7 | 41.2° | 60.0° |
H5 | C2 | C1 | H6 | 73.6° | 60.0° |
H5 | C2 | C1 | H7 | 163.1° | 180.0° |
H8 | C7 | H9 | H10 | 120.0° | 120.0° |
H11 | C6 | H12 | H13 | 120.0° | 120.0° |
H14 | C5 | H15 | H16 | 120.0° | 119.9° |