YBV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL04 | C03 | sing | 1.74Å | 1.75Å | |
O01 | C02 | doub | 1.22Å | 1.20Å | |
C02 | C03 | sing | 1.40Å | 1.48Å | |
C02 | N13 | sing | 1.35Å | 1.46Å | |
C03 | C05 | doub | 1.38Å | 1.45Å | |
C14 | N13 | sing | 1.46Å | 1.44Å | |
N13 | N12 | sing | 1.40Å | 1.45Å | |
C05 | N06 | sing | 1.39Å | 1.45Å | |
C05 | C11 | sing | 1.41Å | 1.49Å | |
N06 | C07 | sing | 1.47Å | 1.45Å | |
C08 | C07 | sing | 1.54Å | 1.48Å | |
C08 | N09 | sing | 1.48Å | 1.48Å | |
N12 | C11 | doub | 1.30Å | 1.47Å | |
C07 | C10 | sing | 1.54Å | 1.47Å | |
N09 | C10 | sing | 1.48Å | 1.47Å | |
C11 | H1 | sing | 1.08Å | 1.08Å | |
C14 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.09Å | 1.10Å | |
C14 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
N06 | H11 | sing | 0.97Å | 1.00Å | |
N09 | H12 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL04 | C03 | C02 | 119.1° | 120.5° |
CL04 | C03 | C05 | 119.3° | 120.5° |
O01 | C02 | C03 | 121.7° | 120.2° |
O01 | C02 | N13 | 120.7° | 120.2° |
C03 | C02 | N13 | 117.7° | 119.6° |
C02 | C03 | C05 | 121.6° | 119.0° |
C02 | N13 | C14 | 118.2° | 119.8° |
C02 | N13 | N12 | 121.8° | 120.5° |
C03 | C05 | N06 | 120.8° | 120.3° |
C03 | C05 | C11 | 119.8° | 119.4° |
C14 | N13 | N12 | 120.0° | 119.7° |
N13 | C14 | H2 | 109.5° | 109.5° |
N13 | C14 | H3 | 109.5° | 109.5° |
N13 | C14 | H4 | 109.5° | 109.5° |
N13 | N12 | C11 | 120.2° | 121.0° |
N06 | C05 | C11 | 119.4° | 120.3° |
C05 | N06 | C07 | 118.7° | 120.0° |
C05 | N06 | H11 | 107.1° | 120.0° |
C05 | C11 | N12 | 118.9° | 120.4° |
C05 | C11 | H1 | 120.5° | 119.8° |
N06 | C07 | C08 | 114.5° | 113.8° |
N06 | C07 | C10 | 112.5° | 113.7° |
N06 | C07 | H6 | 112.9° | 113.0° |
C07 | N06 | H11 | 107.1° | 120.1° |
C07 | C08 | N09 | 88.7° | 86.2° |
C08 | C07 | C10 | 89.7° | 86.3° |
C08 | C07 | H6 | 112.6° | 113.8° |
C07 | C08 | H7 | 114.4° | 113.8° |
C07 | C08 | H8 | 114.4° | 113.8° |
C08 | N09 | C10 | 89.5° | 90.7° |
N09 | C08 | H7 | 114.4° | 113.7° |
N09 | C08 | H8 | 114.4° | 113.7° |
C08 | N09 | H12 | 114.2° | 111.0° |
N12 | C11 | H1 | 120.5° | 119.7° |
C07 | C10 | N09 | 89.2° | 86.2° |
C10 | C07 | H6 | 112.7° | 113.7° |
C07 | C10 | H9 | 114.3° | 113.8° |
C07 | C10 | H10 | 114.3° | 113.7° |
N09 | C10 | H9 | 114.3° | 113.8° |
N09 | C10 | H10 | 114.3° | 113.9° |
C10 | N09 | H12 | 114.2° | 111.0° |
H2 | C14 | H3 | 109.5° | 109.4° |
H2 | C14 | H4 | 109.5° | 109.5° |
H3 | C14 | H4 | 109.4° | 109.5° |
H7 | C08 | H8 | 109.5° | 113.0° |
H9 | C10 | H10 | 109.4° | 113.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL04 | C03 | C02 | O01 | 1.5° | 0.2° |
CL04 | C03 | C02 | C05 | 179.4° | 179.7° |
CL04 | C03 | C02 | N13 | 179.7° | 180.0° |
CL04 | C03 | C05 | N06 | 0.5° | 0.3° |
CL04 | C03 | C05 | C11 | 179.7° | 179.7° |
O01 | C02 | C03 | N13 | 178.8° | 179.8° |
O01 | C02 | C03 | C05 | 179.1° | 179.9° |
O01 | C02 | N13 | C14 | 1.0° | 0.0° |
O01 | C02 | N13 | N12 | 179.0° | 179.9° |
C03 | C02 | N13 | C14 | 179.8° | 179.8° |
C03 | C02 | N13 | N12 | 0.2° | 0.3° |
C02 | C03 | C05 | N06 | 179.9° | 180.0° |
C02 | C03 | C05 | C11 | 0.3° | 0.0° |
N13 | C02 | C03 | C05 | 0.3° | 0.3° |
C02 | N13 | C14 | N12 | 180.0° | 179.9° |
C02 | N13 | N12 | C11 | 0.1° | 0.1° |
C02 | N13 | C14 | H2 | 179.9° | 90.0° |
C02 | N13 | C14 | H3 | 59.9° | 150.0° |
C02 | N13 | C14 | H4 | 60.0° | 30.0° |
C03 | C05 | N06 | C11 | 179.8° | 180.0° |
C03 | C05 | N06 | C07 | 167.3° | 180.0° |
C03 | C05 | C11 | N12 | 0.2° | 0.2° |
C03 | C05 | C11 | H1 | 179.8° | 180.0° |
C03 | C05 | N06 | H11 | 46.0° | 0.0° |
C14 | N13 | N12 | C11 | 179.9° | 180.0° |
N13 | C14 | H2 | H3 | 120.0° | 120.0° |
N13 | C14 | H2 | H4 | 120.0° | 120.0° |
N13 | C14 | H3 | H4 | 120.0° | 120.0° |
N13 | N12 | C11 | C05 | 0.1° | 0.2° |
N13 | N12 | C11 | H1 | 179.9° | 180.0° |
N12 | N13 | C14 | H2 | 0.0° | 90.0° |
N12 | N13 | C14 | H3 | 120.0° | 29.9° |
N12 | N13 | C14 | H4 | 120.0° | 150.0° |
C05 | N06 | C07 | H11 | 121.3° | 180.0° |
C05 | N06 | C07 | C08 | 128.5° | 108.2° |
N06 | C05 | C11 | N12 | 180.0° | 179.8° |
C05 | N06 | C07 | C10 | 131.0° | 155.0° |
N06 | C05 | C11 | H1 | 0.0° | 0.0° |
C05 | N06 | C07 | H6 | 2.1° | 23.5° |
C11 | C05 | N06 | C07 | 12.5° | 0.0° |
C05 | C11 | N12 | H1 | 180.0° | 179.8° |
C11 | C05 | N06 | H11 | 133.8° | 180.0° |
N06 | C07 | C08 | C10 | 114.7° | 114.3° |
N06 | C07 | C08 | H6 | 130.7° | 131.3° |
N06 | C07 | C08 | N09 | 127.9° | 90.6° |
N06 | C07 | C10 | H6 | 129.0° | 131.2° |
N06 | C07 | C10 | N09 | 129.7° | 90.7° |
N06 | C07 | C08 | H7 | 115.9° | 155.1° |
N06 | C07 | C08 | H8 | 11.6° | 23.7° |
N06 | C07 | C10 | H9 | 13.2° | 23.6° |
N06 | C07 | C10 | H10 | 114.0° | 154.8° |
C07 | C08 | N09 | H7 | 116.3° | 114.4° |
C07 | C08 | N09 | H8 | 116.3° | 114.4° |
C08 | C07 | C10 | H6 | 114.4° | 114.4° |
C07 | C08 | N09 | C10 | 13.1° | 24.7° |
C07 | C08 | H7 | H8 | 129.9° | 131.8° |
C08 | C07 | C10 | H9 | 103.3° | 138.1° |
C08 | C07 | C10 | H10 | 129.5° | 90.7° |
C08 | C07 | N06 | H11 | 7.2° | 71.7° |
C07 | C08 | N09 | H12 | 103.4° | 137.5° |
C08 | N09 | C10 | H12 | 116.5° | 112.9° |
N09 | C08 | C07 | H6 | 101.4° | 138.1° |
N09 | C08 | H7 | H8 | 129.8° | 131.6° |
C08 | N09 | C10 | H9 | 103.3° | 139.0° |
C08 | N09 | C10 | H10 | 129.6° | 89.6° |
C07 | C10 | N09 | H9 | 116.4° | 114.3° |
C07 | C10 | N09 | H10 | 116.4° | 114.3° |
C10 | C07 | C08 | H7 | 129.4° | 90.6° |
C10 | C07 | C08 | H8 | 103.2° | 138.0° |
C07 | C10 | H9 | H10 | 129.7° | 131.6° |
C10 | C07 | N06 | H11 | 107.7° | 25.0° |
C07 | C10 | N09 | H12 | 103.3° | 137.6° |
N09 | C10 | C07 | H6 | 101.3° | 138.1° |
C10 | N09 | C08 | H7 | 129.4° | 89.7° |
C10 | N09 | C08 | H8 | 103.3° | 139.1° |
N09 | C10 | H9 | H10 | 129.6° | 131.9° |
H2 | C14 | H3 | H4 | 120.0° | 119.9° |
H6 | C07 | C08 | H7 | 14.8° | 23.8° |
H6 | C07 | C08 | H8 | 142.3° | 107.6° |
H6 | C07 | C10 | H9 | 142.3° | 107.5° |
H6 | C07 | C10 | H10 | 15.1° | 23.7° |
H6 | C07 | N06 | H11 | 123.4° | 156.6° |
H7 | C08 | N09 | H12 | 12.9° | 23.2° |
H8 | C08 | N09 | H12 | 140.3° | 108.1° |
H9 | C10 | N09 | H12 | 140.3° | 108.1° |
H10 | C10 | N09 | H12 | 13.1° | 23.3° |