DZA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | C09 | sing | 1.34Å | 1.25Å | |
C09 | O11 | doub | 1.21Å | 1.24Å | |
C09 | C08 | sing | 1.51Å | 1.53Å | |
C08 | C07 | sing | 1.53Å | 1.52Å | |
C07 | C02 | sing | 1.51Å | 1.53Å | |
C02 | O01 | doub | 1.21Å | 1.21Å | |
C02 | N03 | sing | 1.35Å | 1.34Å | |
N03 | N04 | sing | 1.37Å | 1.12Å | |
N04 | C06 | sing | 1.47Å | 1.47Å | |
N04 | C05 | sing | 1.47Å | 1.48Å | |
O10 | H10 | sing | 0.97Å | 0.95Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
N03 | H03 | sing | 0.97Å | 1.00Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C06 | H063 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C05 | H052 | sing | 1.09Å | 1.10Å | |
C05 | H053 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | C09 | O11 | 126.3° | 119.9° |
O10 | C09 | C08 | 117.9° | 120.0° |
C09 | O10 | H10 | 109.5° | 117.0° |
O11 | C09 | C08 | 112.1° | 120.0° |
C09 | C08 | C07 | 103.6° | 109.5° |
C09 | C08 | H081 | 110.9° | 109.5° |
C09 | C08 | H082 | 110.9° | 109.5° |
C08 | C07 | C02 | 105.2° | 109.5° |
C07 | C08 | H081 | 110.9° | 109.5° |
C07 | C08 | H082 | 110.9° | 109.5° |
C08 | C07 | H071 | 110.5° | 109.5° |
C08 | C07 | H072 | 110.5° | 109.5° |
C07 | C02 | O01 | 123.8° | 120.0° |
C07 | C02 | N03 | 112.2° | 120.0° |
C02 | C07 | H071 | 110.6° | 109.4° |
C02 | C07 | H072 | 110.5° | 109.4° |
O01 | C02 | N03 | 124.0° | 120.0° |
C02 | N03 | N04 | 114.3° | 120.0° |
C02 | N03 | H03 | 122.8° | 120.0° |
N03 | N04 | C06 | 101.6° | 111.0° |
N03 | N04 | C05 | 105.5° | 111.0° |
N04 | N03 | H03 | 122.8° | 120.0° |
C06 | N04 | C05 | 117.0° | 111.0° |
N04 | C06 | H061 | 109.5° | 109.5° |
N04 | C06 | H062 | 109.5° | 109.5° |
N04 | C06 | H063 | 109.5° | 109.5° |
N04 | C05 | H051 | 109.5° | 109.5° |
N04 | C05 | H052 | 109.5° | 109.5° |
N04 | C05 | H053 | 109.5° | 109.5° |
H081 | C08 | H082 | 109.5° | 109.4° |
H071 | C07 | H072 | 109.5° | 109.4° |
H061 | C06 | H062 | 109.5° | 109.5° |
H061 | C06 | H063 | 109.5° | 109.4° |
H062 | C06 | H063 | 109.4° | 109.5° |
H051 | C05 | H052 | 109.5° | 109.5° |
H051 | C05 | H053 | 109.4° | 109.4° |
H052 | C05 | H053 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | C09 | O11 | C08 | 157.7° | 179.9° |
O10 | C09 | C08 | C07 | 38.4° | 179.9° |
O10 | C09 | C08 | H081 | 80.6° | 60.0° |
O10 | C09 | C08 | H082 | 157.5° | 60.0° |
O11 | C09 | C08 | C07 | 161.8° | 0.0° |
O11 | C09 | O10 | H10 | 0.0° | 0.1° |
O11 | C09 | C08 | H081 | 79.2° | 120.0° |
O11 | C09 | C08 | H082 | 42.8° | 120.1° |
C09 | C08 | C07 | H081 | 119.0° | 120.0° |
C09 | C08 | C07 | H082 | 119.1° | 120.1° |
C09 | C08 | C07 | C02 | 167.8° | 180.0° |
C08 | C09 | O10 | H10 | 156.5° | 180.0° |
C09 | C08 | H081 | H082 | 122.8° | 120.0° |
C09 | C08 | C07 | H071 | 72.9° | 60.0° |
C09 | C08 | C07 | H072 | 48.5° | 60.0° |
C08 | C07 | C02 | H071 | 119.3° | 120.1° |
C08 | C07 | C02 | H072 | 119.3° | 120.1° |
C08 | C07 | C02 | O01 | 2.2° | 0.0° |
C08 | C07 | C02 | N03 | 178.1° | 180.0° |
C07 | C08 | H081 | H082 | 122.7° | 120.0° |
C08 | C07 | H071 | H072 | 122.0° | 120.1° |
C07 | C02 | O01 | N03 | 179.7° | 180.0° |
C07 | C02 | N03 | N04 | 180.0° | 180.0° |
C02 | C07 | C08 | H081 | 48.7° | 60.0° |
C02 | C07 | C08 | H082 | 73.2° | 59.9° |
C02 | C07 | H071 | H072 | 122.0° | 119.9° |
C07 | C02 | N03 | H03 | 0.0° | 0.1° |
O01 | C02 | N03 | N04 | 0.3° | 0.0° |
O01 | C02 | C07 | H071 | 121.5° | 120.1° |
O01 | C02 | C07 | H072 | 117.2° | 120.0° |
O01 | C02 | N03 | H03 | 179.7° | 180.0° |
C02 | N03 | N04 | H03 | 180.0° | 179.9° |
C02 | N03 | N04 | C06 | 118.3° | 116.1° |
C02 | N03 | N04 | C05 | 119.2° | 120.0° |
N03 | C02 | C07 | H071 | 58.7° | 59.9° |
N03 | C02 | C07 | H072 | 62.6° | 60.0° |
N03 | N04 | C06 | C05 | 114.3° | 123.9° |
N03 | N04 | C06 | H061 | 180.0° | 60.0° |
N03 | N04 | C06 | H062 | 60.0° | 180.0° |
N03 | N04 | C06 | H063 | 60.0° | 59.9° |
N03 | N04 | C05 | H051 | 180.0° | 60.0° |
N03 | N04 | C05 | H052 | 60.0° | 180.0° |
N03 | N04 | C05 | H053 | 60.0° | 60.0° |
C06 | N04 | N03 | H03 | 61.7° | 64.0° |
N04 | C06 | H061 | H062 | 120.0° | 120.1° |
N04 | C06 | H061 | H063 | 120.0° | 120.0° |
N04 | C06 | H062 | H063 | 120.0° | 120.0° |
C06 | N04 | C05 | H051 | 68.0° | 176.0° |
C06 | N04 | C05 | H052 | 52.0° | 56.0° |
C06 | N04 | C05 | H053 | 172.0° | 64.0° |
C05 | N04 | N03 | H03 | 60.8° | 59.9° |
C05 | N04 | C06 | H061 | 65.7° | 64.0° |
C05 | N04 | C06 | H062 | 174.3° | 56.0° |
C05 | N04 | C06 | H063 | 54.3° | 176.1° |
N04 | C05 | H051 | H052 | 120.0° | 120.0° |
N04 | C05 | H051 | H053 | 120.0° | 120.1° |
N04 | C05 | H052 | H053 | 120.0° | 120.0° |
H081 | C08 | C07 | H071 | 168.1° | 180.0° |
H081 | C08 | C07 | H072 | 70.6° | 60.0° |
H082 | C08 | C07 | H071 | 46.2° | 60.1° |
H082 | C08 | C07 | H072 | 167.5° | 179.9° |
H061 | C06 | H062 | H063 | 120.0° | 119.9° |
H051 | C05 | H052 | H053 | 119.9° | 119.9° |