V0W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | N11 | sing | 1.47Å | 1.31Å | |
C13 | N11 | sing | 1.46Å | 1.37Å | |
C13 | C14 | sing | 1.48Å | 1.55Å | |
N11 | C10 | sing | 1.45Å | 1.39Å | |
C14 | C15 | sing | 1.55Å | 1.57Å | |
C10 | C09 | sing | 1.54Å | 1.54Å | |
C15 | N08 | sing | 1.45Å | 1.47Å | |
C09 | N08 | sing | 1.48Å | 1.47Å | |
N08 | S06 | sing | 1.66Å | 1.76Å | |
O16 | S06 | doub | 1.42Å | 1.46Å | |
S06 | O07 | doub | 1.42Å | 1.45Å | |
S06 | C05 | sing | 1.76Å | 1.81Å | |
C05 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C04 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
C18 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.53Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C04 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.09Å | 1.10Å | |
C09 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C12 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H16 | sing | 1.09Å | 1.10Å | |
C15 | H17 | sing | 1.09Å | 1.10Å | |
C15 | H18 | sing | 1.09Å | 1.10Å | |
C17 | H19 | sing | 1.08Å | 1.08Å | |
C18 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | N11 | C13 | 108.0° | 111.0° |
C12 | N11 | C10 | 108.9° | 111.0° |
N11 | C12 | H10 | 109.5° | 109.5° |
N11 | C12 | H11 | 109.5° | 109.5° |
N11 | C12 | H12 | 109.5° | 109.5° |
N11 | C13 | C14 | 115.0° | 114.3° |
C13 | N11 | C10 | 114.9° | 110.7° |
N11 | C13 | H13 | 108.1° | 108.6° |
N11 | C13 | H14 | 108.1° | 108.5° |
C13 | C14 | C15 | 111.3° | 109.8° |
C14 | C13 | H13 | 108.1° | 108.5° |
C14 | C13 | H14 | 108.1° | 108.5° |
C13 | C14 | H15 | 109.0° | 109.5° |
C13 | C14 | H16 | 109.0° | 109.5° |
N11 | C10 | C09 | 115.5° | 109.7° |
N11 | C10 | H8 | 108.0° | 109.5° |
N11 | C10 | H9 | 107.9° | 109.4° |
C14 | C15 | N08 | 109.7° | 109.5° |
C15 | C14 | H15 | 109.0° | 109.4° |
C15 | C14 | H16 | 109.0° | 109.4° |
C14 | C15 | H17 | 109.4° | 109.4° |
C14 | C15 | H18 | 109.4° | 109.5° |
C10 | C09 | N08 | 112.5° | 111.6° |
C10 | C09 | H6 | 108.7° | 109.1° |
C10 | C09 | H7 | 108.7° | 109.0° |
C09 | C10 | H8 | 107.9° | 109.4° |
C09 | C10 | H9 | 107.9° | 109.4° |
C15 | N08 | C09 | 125.7° | 122.9° |
C15 | N08 | S06 | 117.8° | 118.6° |
N08 | C15 | H17 | 109.4° | 109.4° |
N08 | C15 | H18 | 109.4° | 109.5° |
C09 | N08 | S06 | 116.5° | 118.5° |
N08 | C09 | H6 | 108.7° | 109.1° |
N08 | C09 | H7 | 108.7° | 109.1° |
N08 | S06 | O16 | 118.4° | 106.4° |
N08 | S06 | O07 | 109.6° | 106.4° |
N08 | S06 | C05 | 106.6° | 107.2° |
O16 | S06 | O07 | 104.6° | 123.2° |
O16 | S06 | C05 | 106.9° | 106.4° |
O07 | S06 | C05 | 110.5° | 106.4° |
S06 | C05 | C17 | 116.8° | 120.0° |
S06 | C05 | C04 | 120.5° | 120.0° |
C17 | C05 | C04 | 122.8° | 120.0° |
C05 | C17 | C18 | 119.1° | 120.0° |
C05 | C17 | H19 | 120.4° | 120.0° |
C05 | C04 | C03 | 118.0° | 120.0° |
C05 | C04 | H5 | 121.0° | 120.0° |
C17 | C18 | C02 | 119.0° | 120.0° |
C18 | C17 | H19 | 120.5° | 120.0° |
C17 | C18 | H20 | 120.5° | 120.0° |
C04 | C03 | C02 | 119.4° | 120.0° |
C04 | C03 | H4 | 120.3° | 120.0° |
C03 | C04 | H5 | 121.0° | 120.0° |
C18 | C02 | C03 | 121.7° | 120.0° |
C18 | C02 | C01 | 117.1° | 120.0° |
C02 | C18 | H20 | 120.5° | 120.0° |
C03 | C02 | C01 | 121.2° | 120.0° |
C02 | C03 | H4 | 120.3° | 120.0° |
C02 | C01 | H1 | 109.5° | 109.4° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H6 | C09 | H7 | 109.5° | 109.0° |
H8 | C10 | H9 | 109.5° | 109.4° |
H10 | C12 | H11 | 109.5° | 109.5° |
H10 | C12 | H12 | 109.5° | 109.4° |
H11 | C12 | H12 | 109.5° | 109.5° |
H13 | C13 | H14 | 109.5° | 108.3° |
H15 | C14 | H16 | 109.4° | 109.4° |
H17 | C15 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | N11 | C13 | C10 | 121.8° | 123.7° |
C12 | N11 | C13 | C14 | 153.6° | 148.6° |
C12 | N11 | C10 | C09 | 178.5° | 142.1° |
C12 | N11 | C10 | H8 | 60.7° | 97.8° |
C12 | N11 | C10 | H9 | 57.6° | 22.1° |
N11 | C12 | H10 | H11 | 120.0° | 120.0° |
N11 | C12 | H10 | H12 | 120.0° | 120.0° |
N11 | C12 | H11 | H12 | 120.0° | 120.1° |
C12 | N11 | C13 | H13 | 85.6° | 27.3° |
C12 | N11 | C13 | H14 | 32.9° | 90.3° |
N11 | C13 | C14 | H13 | 120.8° | 121.3° |
N11 | C13 | C14 | H14 | 120.8° | 121.2° |
N11 | C13 | C14 | C15 | 91.5° | 62.2° |
C13 | N11 | C10 | C09 | 57.2° | 94.2° |
C13 | N11 | C10 | H8 | 178.1° | 25.9° |
C13 | N11 | C10 | H9 | 63.7° | 145.8° |
C13 | N11 | C12 | H10 | 180.0° | 64.0° |
C13 | N11 | C12 | H11 | 60.0° | 176.0° |
C13 | N11 | C12 | H12 | 60.0° | 56.0° |
N11 | C13 | H13 | H14 | 117.5° | 117.6° |
N11 | C13 | C14 | H15 | 148.2° | 177.7° |
N11 | C13 | C14 | H16 | 28.9° | 57.9° |
C14 | C13 | N11 | C10 | 84.6° | 87.7° |
C13 | C14 | C15 | H15 | 120.3° | 120.1° |
C13 | C14 | C15 | H16 | 120.3° | 120.1° |
C13 | C14 | C15 | N08 | 33.2° | 69.5° |
C14 | C13 | H13 | H14 | 117.5° | 117.5° |
C13 | C14 | H15 | H16 | 119.1° | 119.9° |
C13 | C14 | C15 | H17 | 86.8° | 50.5° |
C13 | C14 | C15 | H18 | 153.3° | 170.5° |
N11 | C10 | C09 | H8 | 120.9° | 120.1° |
N11 | C10 | C09 | H9 | 120.9° | 120.0° |
N11 | C10 | C09 | N08 | 61.8° | 40.0° |
N11 | C10 | C09 | H6 | 58.6° | 80.5° |
N11 | C10 | C09 | H7 | 177.7° | 160.5° |
N11 | C10 | H8 | H9 | 117.3° | 119.9° |
C10 | N11 | C12 | H10 | 54.6° | 59.5° |
C10 | N11 | C12 | H11 | 174.6° | 60.5° |
C10 | N11 | C12 | H12 | 65.4° | 179.5° |
C10 | N11 | C13 | H13 | 36.2° | 151.0° |
C10 | N11 | C13 | H14 | 154.6° | 33.4° |
C14 | C15 | N08 | H17 | 120.0° | 120.0° |
C14 | C15 | N08 | H18 | 120.0° | 120.1° |
C14 | C15 | N08 | C09 | 42.6° | 89.0° |
C14 | C15 | N08 | S06 | 139.0° | 90.9° |
C15 | C14 | C13 | H13 | 29.3° | 176.5° |
C15 | C14 | C13 | H14 | 147.8° | 59.0° |
C15 | C14 | H15 | H16 | 119.1° | 119.8° |
C14 | C15 | H17 | H18 | 119.9° | 120.0° |
C10 | C09 | N08 | C15 | 84.0° | 41.9° |
C10 | C09 | N08 | H6 | 120.4° | 120.5° |
C10 | C09 | N08 | H7 | 120.5° | 120.5° |
C10 | C09 | N08 | S06 | 97.6° | 138.1° |
C10 | C09 | H6 | H7 | 118.6° | 118.9° |
C09 | C10 | H8 | H9 | 117.2° | 119.9° |
C15 | N08 | C09 | S06 | 178.4° | 180.0° |
C15 | N08 | S06 | O16 | 36.3° | 23.5° |
C15 | N08 | S06 | O07 | 156.2° | 156.4° |
C15 | N08 | S06 | C05 | 84.1° | 90.0° |
C15 | N08 | C09 | H6 | 36.5° | 162.4° |
C15 | N08 | C09 | H7 | 155.6° | 78.6° |
N08 | C15 | C14 | H15 | 153.6° | 170.4° |
N08 | C15 | C14 | H16 | 87.1° | 50.7° |
N08 | C15 | H17 | H18 | 119.9° | 119.9° |
C09 | N08 | S06 | O16 | 145.2° | 156.5° |
C09 | N08 | S06 | O07 | 25.3° | 23.5° |
C09 | N08 | S06 | C05 | 94.4° | 90.0° |
N08 | C09 | H6 | H7 | 118.6° | 119.0° |
N08 | C09 | C10 | H8 | 177.3° | 80.1° |
N08 | C09 | C10 | H9 | 59.0° | 160.0° |
C09 | N08 | C15 | H17 | 162.7° | 30.9° |
C09 | N08 | C15 | H18 | 77.4° | 150.9° |
N08 | S06 | O16 | O07 | 122.4° | 123.0° |
N08 | S06 | O16 | C05 | 120.3° | 114.1° |
N08 | S06 | O07 | C05 | 117.2° | 114.1° |
N08 | S06 | C05 | C17 | 82.9° | 90.0° |
N08 | S06 | C05 | C04 | 96.4° | 89.8° |
S06 | N08 | C09 | H6 | 141.9° | 17.5° |
S06 | N08 | C09 | H7 | 22.8° | 101.5° |
S06 | N08 | C15 | H17 | 19.0° | 149.1° |
S06 | N08 | C15 | H18 | 101.0° | 29.2° |
O16 | S06 | O07 | C05 | 114.8° | 123.0° |
O16 | S06 | C05 | C17 | 44.7° | 23.5° |
O16 | S06 | C05 | C04 | 136.0° | 156.7° |
O07 | S06 | C05 | C17 | 158.0° | 156.4° |
O07 | S06 | C05 | C04 | 22.6° | 23.8° |
S06 | C05 | C17 | C04 | 179.3° | 179.8° |
S06 | C05 | C17 | C18 | 179.3° | 180.0° |
S06 | C05 | C04 | C03 | 179.4° | 179.8° |
S06 | C05 | C04 | H5 | 0.6° | 0.2° |
S06 | C05 | C17 | H19 | 0.7° | 0.1° |
C05 | C17 | C18 | H19 | 180.0° | 179.9° |
C17 | C05 | C04 | C03 | 0.1° | 0.0° |
C05 | C17 | C18 | C02 | 0.6° | 0.5° |
C17 | C05 | C04 | H5 | 179.9° | 180.0° |
C05 | C17 | C18 | H20 | 179.4° | 180.0° |
C04 | C05 | C17 | C18 | 0.0° | 0.2° |
C05 | C04 | C03 | H5 | 180.0° | 180.0° |
C05 | C04 | C03 | C02 | 0.3° | 0.1° |
C05 | C04 | C03 | H4 | 179.6° | 179.9° |
C04 | C05 | C17 | H19 | 180.0° | 180.0° |
C17 | C18 | C02 | H20 | 180.0° | 179.5° |
C17 | C18 | C02 | C03 | 1.1° | 0.6° |
C17 | C18 | C02 | C01 | 179.9° | 179.8° |
C04 | C03 | C02 | C18 | 0.9° | 0.4° |
C04 | C03 | C02 | H4 | 180.0° | 179.9° |
C04 | C03 | C02 | C01 | 179.9° | 180.0° |
C18 | C02 | C03 | C01 | 179.0° | 179.7° |
C18 | C02 | C01 | H1 | 89.6° | 90.3° |
C18 | C02 | C01 | H2 | 150.4° | 29.7° |
C18 | C02 | C01 | H3 | 30.4° | 149.7° |
C18 | C02 | C03 | H4 | 179.0° | 179.8° |
C02 | C18 | C17 | H19 | 179.4° | 179.6° |
C03 | C02 | C01 | H1 | 89.4° | 90.1° |
C03 | C02 | C01 | H2 | 30.6° | 150.0° |
C03 | C02 | C01 | H3 | 150.5° | 30.0° |
C02 | C03 | C04 | H5 | 179.6° | 179.9° |
C03 | C02 | C18 | H20 | 178.9° | 179.9° |
C02 | C01 | H1 | H2 | 120.0° | 119.9° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | C03 | H4 | 0.1° | 0.1° |
C01 | C02 | C18 | H20 | 0.1° | 0.3° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C03 | C04 | H5 | 0.4° | 0.1° |
H6 | C09 | C10 | H8 | 62.3° | 159.4° |
H6 | C09 | C10 | H9 | 179.5° | 39.5° |
H7 | C09 | C10 | H8 | 56.8° | 40.4° |
H7 | C09 | C10 | H9 | 61.4° | 79.5° |
H10 | C12 | H11 | H12 | 120.0° | 120.0° |
H13 | C13 | C14 | H15 | 91.0° | 56.4° |
H13 | C13 | C14 | H16 | 149.6° | 63.5° |
H14 | C13 | C14 | H15 | 27.5° | 61.1° |
H14 | C13 | C14 | H16 | 91.9° | 179.1° |
H15 | C14 | C15 | H17 | 33.5° | 69.6° |
H15 | C14 | C15 | H18 | 86.4° | 50.4° |
H16 | C14 | C15 | H17 | 152.9° | 170.6° |
H16 | C14 | C15 | H18 | 33.0° | 69.4° |
H19 | C17 | C18 | H20 | 0.6° | 0.2° |