DVQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | O02 | sing | 1.43Å | 1.38Å | |
C12 | C10 | sing | 1.53Å | 1.55Å | |
C10 | N04 | sing | 1.47Å | 1.31Å | |
C07 | N04 | sing | 1.47Å | 1.27Å | |
C07 | C05 | sing | 1.53Å | 1.51Å | |
N04 | C08 | sing | 1.47Å | 1.30Å | |
C08 | C06 | sing | 1.53Å | 1.54Å | |
C05 | N03 | sing | 1.47Å | 1.31Å | |
C06 | N03 | sing | 1.47Å | 1.32Å | |
N03 | C09 | sing | 1.47Å | 1.26Å | |
C09 | C11 | sing | 1.53Å | 1.51Å | |
O01 | C11 | sing | 1.43Å | 1.36Å | |
C05 | H052 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C09 | H092 | sing | 1.09Å | 1.10Å | |
C09 | H091 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
O01 | H011 | sing | 0.97Å | 0.95Å | |
O02 | H021 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O02 | C12 | C10 | 114.1° | 109.4° |
O02 | C12 | H121 | 108.3° | 109.5° |
O02 | C12 | H122 | 108.3° | 109.5° |
C12 | O02 | H021 | 109.5° | 114.0° |
C12 | C10 | N04 | 114.8° | 109.5° |
C12 | C10 | H102 | 108.1° | 109.4° |
C12 | C10 | H101 | 108.1° | 109.4° |
C10 | C12 | H121 | 108.3° | 109.5° |
C10 | C12 | H122 | 108.3° | 109.5° |
C10 | N04 | C07 | 109.7° | 111.0° |
C10 | N04 | C08 | 106.6° | 111.0° |
N04 | C10 | H102 | 108.1° | 109.5° |
N04 | C10 | H101 | 108.1° | 109.5° |
N04 | C07 | C05 | 105.0° | 109.4° |
C07 | N04 | C08 | 111.6° | 110.8° |
N04 | C07 | H072 | 110.6° | 109.5° |
N04 | C07 | H071 | 110.6° | 109.5° |
C07 | C05 | N03 | 112.9° | 109.4° |
C07 | C05 | H052 | 108.6° | 109.5° |
C07 | C05 | H051 | 108.6° | 109.5° |
C05 | C07 | H072 | 110.6° | 109.5° |
C05 | C07 | H071 | 110.6° | 109.5° |
N04 | C08 | C06 | 116.5° | 109.4° |
N04 | C08 | H082 | 107.7° | 109.5° |
N04 | C08 | H081 | 107.7° | 109.5° |
C08 | C06 | N03 | 114.4° | 109.4° |
C08 | C06 | H062 | 108.2° | 109.6° |
C08 | C06 | H061 | 108.2° | 109.5° |
C06 | C08 | H082 | 107.7° | 109.5° |
C06 | C08 | H081 | 107.7° | 109.5° |
C05 | N03 | C06 | 120.0° | 110.9° |
C05 | N03 | C09 | 112.0° | 111.0° |
N03 | C05 | H052 | 108.6° | 109.5° |
N03 | C05 | H051 | 108.6° | 109.5° |
C06 | N03 | C09 | 108.0° | 111.0° |
N03 | C06 | H062 | 108.2° | 109.5° |
N03 | C06 | H061 | 108.2° | 109.5° |
N03 | C09 | C11 | 110.7° | 109.4° |
N03 | C09 | H092 | 109.2° | 109.4° |
N03 | C09 | H091 | 109.2° | 109.4° |
C09 | C11 | O01 | 102.7° | 109.5° |
C11 | C09 | H092 | 109.1° | 109.5° |
C11 | C09 | H091 | 109.1° | 109.5° |
C09 | C11 | H112 | 111.2° | 109.4° |
C09 | C11 | H111 | 111.1° | 109.5° |
O01 | C11 | H112 | 111.1° | 109.4° |
O01 | C11 | H111 | 111.1° | 109.5° |
C11 | O01 | H011 | 109.5° | 114.0° |
H052 | C05 | H051 | 109.4° | 109.5° |
H062 | C06 | H061 | 109.4° | 109.4° |
H072 | C07 | H071 | 109.4° | 109.5° |
H082 | C08 | H081 | 109.5° | 109.5° |
H092 | C09 | H091 | 109.5° | 109.5° |
H102 | C10 | H101 | 109.5° | 109.5° |
H112 | C11 | H111 | 109.5° | 109.5° |
H121 | C12 | H122 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O02 | C12 | C10 | H121 | 120.7° | 120.0° |
O02 | C12 | C10 | H122 | 120.7° | 120.0° |
O02 | C12 | C10 | N04 | 68.3° | 64.6° |
O02 | C12 | C10 | H102 | 171.0° | 175.4° |
O02 | C12 | C10 | H101 | 52.5° | 55.4° |
O02 | C12 | H121 | H122 | 117.9° | 120.0° |
C12 | C10 | N04 | H102 | 120.8° | 119.9° |
C12 | C10 | N04 | H101 | 120.8° | 120.0° |
C12 | C10 | N04 | C07 | 78.7° | 75.6° |
C12 | C10 | N04 | C08 | 160.3° | 160.7° |
C12 | C10 | H102 | H101 | 117.6° | 119.9° |
C10 | C12 | H121 | H122 | 117.9° | 120.0° |
C10 | C12 | O02 | H021 | 180.0° | 180.0° |
C10 | N04 | C07 | C08 | 117.9° | 123.8° |
C10 | N04 | C07 | C05 | 172.9° | 64.5° |
C10 | N04 | C08 | C06 | 159.1° | 64.5° |
C10 | N04 | C07 | H072 | 53.5° | 55.5° |
C10 | N04 | C07 | H071 | 67.8° | 175.5° |
C10 | N04 | C08 | H082 | 38.1° | 175.5° |
C10 | N04 | C08 | H081 | 79.8° | 55.4° |
N04 | C10 | H102 | H101 | 117.6° | 120.1° |
N04 | C10 | C12 | H121 | 52.4° | 175.4° |
N04 | C10 | C12 | H122 | 171.0° | 55.3° |
N04 | C07 | C05 | H072 | 119.3° | 119.9° |
N04 | C07 | C05 | H071 | 119.3° | 120.0° |
C07 | N04 | C08 | C06 | 39.4° | 59.3° |
N04 | C07 | C05 | N03 | 62.2° | 58.4° |
N04 | C07 | C05 | H052 | 58.3° | 178.4° |
N04 | C07 | C05 | H051 | 177.2° | 61.6° |
N04 | C07 | H072 | H071 | 122.0° | 120.1° |
C07 | N04 | C08 | H082 | 81.6° | 60.7° |
C07 | N04 | C08 | H081 | 160.4° | 179.3° |
C07 | N04 | C10 | H102 | 42.1° | 44.3° |
C07 | N04 | C10 | H101 | 160.5° | 164.4° |
C05 | C07 | N04 | C08 | 69.2° | 59.3° |
C07 | C05 | N03 | H052 | 120.5° | 120.0° |
C07 | C05 | N03 | H051 | 120.5° | 120.0° |
C07 | C05 | N03 | C06 | 20.8° | 59.3° |
C07 | C05 | N03 | C09 | 107.4° | 176.8° |
C07 | C05 | H052 | H051 | 118.4° | 120.0° |
C05 | C07 | H072 | H071 | 122.0° | 120.1° |
N04 | C08 | C06 | H082 | 121.0° | 120.0° |
N04 | C08 | C06 | H081 | 121.0° | 120.0° |
N04 | C08 | C06 | N03 | 3.5° | 58.4° |
N04 | C08 | C06 | H062 | 117.2° | 61.6° |
N04 | C08 | C06 | H061 | 124.3° | 178.4° |
C08 | N04 | C07 | H072 | 171.4° | 179.3° |
C08 | N04 | C07 | H071 | 50.1° | 60.6° |
N04 | C08 | H082 | H081 | 116.8° | 120.0° |
C08 | N04 | C10 | H102 | 78.9° | 79.4° |
C08 | N04 | C10 | H101 | 39.5° | 40.7° |
C08 | C06 | N03 | C05 | 9.7° | 59.3° |
C08 | C06 | N03 | H062 | 120.7° | 120.0° |
C08 | C06 | N03 | H061 | 120.8° | 120.0° |
C08 | C06 | N03 | C09 | 139.8° | 176.8° |
C08 | C06 | H062 | H061 | 117.8° | 120.1° |
C06 | C08 | H082 | H081 | 116.8° | 120.0° |
C05 | N03 | C06 | C09 | 130.0° | 123.9° |
C05 | N03 | C09 | C11 | 115.7° | 170.0° |
N03 | C05 | H052 | H051 | 118.4° | 120.0° |
C05 | N03 | C06 | H062 | 111.0° | 60.7° |
C05 | N03 | C06 | H061 | 130.5° | 179.3° |
N03 | C05 | C07 | H072 | 178.5° | 178.4° |
N03 | C05 | C07 | H071 | 57.1° | 61.5° |
C05 | N03 | C09 | H092 | 4.5° | 70.0° |
C05 | N03 | C09 | H091 | 124.2° | 50.0° |
C06 | N03 | C09 | C11 | 110.0° | 66.2° |
C06 | N03 | C05 | H052 | 99.7° | 179.3° |
C06 | N03 | C05 | H051 | 141.4° | 60.7° |
N03 | C06 | H062 | H061 | 117.7° | 120.0° |
N03 | C06 | C08 | H082 | 124.5° | 61.6° |
N03 | C06 | C08 | H081 | 117.5° | 178.4° |
C06 | N03 | C09 | H092 | 129.9° | 53.8° |
C06 | N03 | C09 | H091 | 10.2° | 173.8° |
N03 | C09 | C11 | H092 | 120.2° | 119.9° |
N03 | C09 | C11 | H091 | 120.2° | 120.0° |
N03 | C09 | C11 | O01 | 157.4° | 65.0° |
C09 | N03 | C05 | H052 | 132.1° | 56.8° |
C09 | N03 | C05 | H051 | 13.1° | 63.2° |
C09 | N03 | C06 | H062 | 19.0° | 63.2° |
C09 | N03 | C06 | H061 | 99.5° | 56.8° |
N03 | C09 | H092 | H091 | 119.5° | 120.0° |
N03 | C09 | C11 | H112 | 83.7° | 175.0° |
N03 | C09 | C11 | H111 | 38.5° | 55.0° |
C09 | C11 | O01 | H112 | 118.9° | 119.9° |
C09 | C11 | O01 | H111 | 118.9° | 120.0° |
C11 | C09 | H092 | H091 | 119.4° | 120.1° |
C09 | C11 | H112 | H111 | 123.1° | 120.0° |
C09 | C11 | O01 | H011 | 180.0° | 180.0° |
O01 | C11 | C09 | H092 | 37.2° | 175.0° |
O01 | C11 | C09 | H091 | 82.4° | 54.9° |
O01 | C11 | H112 | H111 | 123.2° | 120.0° |
H052 | C05 | C07 | H072 | 61.0° | 61.7° |
H052 | C05 | C07 | H071 | 177.6° | 58.4° |
H051 | C05 | C07 | H072 | 57.9° | 58.4° |
H051 | C05 | C07 | H071 | 63.5° | 178.5° |
H062 | C06 | C08 | H082 | 3.8° | 178.4° |
H062 | C06 | C08 | H081 | 121.8° | 58.4° |
H061 | C06 | C08 | H082 | 114.7° | 58.4° |
H061 | C06 | C08 | H081 | 3.3° | 61.6° |
H092 | C09 | C11 | H112 | 156.1° | 55.1° |
H092 | C09 | C11 | H111 | 81.7° | 64.9° |
H091 | C09 | C11 | H112 | 36.5° | 65.0° |
H091 | C09 | C11 | H111 | 158.7° | 175.0° |
H102 | C10 | C12 | H121 | 68.3° | 55.3° |
H102 | C10 | C12 | H122 | 50.3° | 64.7° |
H101 | C10 | C12 | H121 | 173.2° | 64.6° |
H101 | C10 | C12 | H122 | 68.2° | 175.3° |
H112 | C11 | O01 | H011 | 61.1° | 60.0° |
H111 | C11 | O01 | H011 | 61.1° | 60.0° |
H121 | C12 | O02 | H021 | 59.3° | 60.0° |
H122 | C12 | O02 | H021 | 59.3° | 60.1° |