VFY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | O03 | sing | 0.00Å | 1.40Å | |
O03 | C02 | sing | 0.00Å | 1.40Å | |
F24 | C22 | sing | 0.00Å | 1.36Å | |
F25 | C22 | sing | 0.00Å | 1.36Å | |
C20 | C19 | doub | 0.00Å | 1.38Å | Aromatic |
C20 | C21 | sing | 0.00Å | 1.38Å | Aromatic |
C22 | C21 | sing | 0.00Å | 1.53Å | |
C22 | F23 | sing | 0.00Å | 1.36Å | |
C02 | O01 | doub | 0.00Å | 1.18Å | |
C02 | C05 | sing | 0.00Å | 1.53Å | |
C19 | C18 | sing | 0.00Å | 1.38Å | Aromatic |
C21 | C16 | doub | 0.00Å | 1.39Å | Aromatic |
C18 | C17 | doub | 0.00Å | 1.39Å | Aromatic |
C16 | C17 | sing | 0.00Å | 1.38Å | Aromatic |
C16 | C15 | sing | 0.00Å | 1.54Å | |
C05 | C15 | sing | 0.00Å | 1.54Å | |
C05 | C06 | doub | 0.00Å | 1.53Å | |
C15 | C11 | sing | 0.00Å | 1.53Å | |
C07 | C06 | sing | 0.00Å | 1.53Å | |
C06 | N08 | sing | 0.00Å | 1.45Å | |
O13 | N12 | sing | 0.00Å | 1.40Å | |
C11 | N12 | sing | 0.00Å | 1.45Å | |
C11 | C09 | doub | 0.00Å | 1.52Å | |
N08 | C09 | sing | 0.00Å | 1.44Å | |
N12 | O14 | doub | 0.00Å | 1.17Å | |
C09 | C10 | sing | 0.00Å | 1.53Å | |
C10 | H1 | sing | 0.00Å | 1.10Å | |
C10 | H2 | sing | 0.00Å | 1.10Å | |
C10 | H3 | sing | 0.00Å | 1.10Å | |
C15 | H4 | sing | 0.00Å | 1.10Å | |
C17 | H5 | sing | 0.00Å | 1.08Å | |
C20 | H6 | sing | 0.00Å | 1.08Å | |
C04 | H7 | sing | 0.00Å | 1.10Å | |
C04 | H8 | sing | 0.00Å | 1.10Å | |
C04 | H9 | sing | 0.00Å | 1.10Å | |
C07 | H12 | sing | 0.00Å | 1.10Å | |
C07 | H13 | sing | 0.00Å | 1.10Å | |
C07 | H14 | sing | 0.00Å | 1.10Å | |
C18 | H17 | sing | 0.00Å | 1.08Å | |
C19 | H18 | sing | 0.00Å | 1.08Å | |
N08 | H19 | sing | 0.00Å | 1.00Å | |
O13 | H10 | sing | 0.00Å | 275.72Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C04 | O03 | C02 | 113.6° | 90.0° |
O03 | C04 | H7 | 109.5° | 90.0° |
O03 | C04 | H8 | 109.4° | 90.0° |
O03 | C04 | H9 | 109.4° | 90.0° |
O03 | C02 | O01 | 120.0° | 90.0° |
O03 | C02 | C05 | 120.1° | 90.0° |
F24 | C22 | F25 | 109.3° | 90.0° |
F24 | C22 | C21 | 109.2° | 90.0° |
F24 | C22 | F23 | 109.7° | 90.0° |
F25 | C22 | C21 | 109.9° | 90.0° |
F25 | C22 | F23 | 109.4° | 90.0° |
C19 | C20 | C21 | 119.9° | 90.0° |
C20 | C19 | C18 | 119.9° | 90.0° |
C19 | C20 | H6 | 120.0° | 90.0° |
C20 | C19 | H18 | 120.0° | 90.0° |
C20 | C21 | C22 | 120.0° | 90.0° |
C20 | C21 | C16 | 120.1° | 90.0° |
C21 | C20 | H6 | 120.0° | 90.0° |
C21 | C22 | F23 | 109.4° | 90.0° |
C22 | C21 | C16 | 119.9° | 90.0° |
O01 | C02 | C05 | 119.9° | 90.0° |
C02 | C05 | C15 | 118.2° | 90.0° |
C02 | C05 | C06 | 119.6° | 90.0° |
C19 | C18 | C17 | 120.2° | 90.0° |
C19 | C18 | H17 | 119.9° | 90.0° |
C18 | C19 | H18 | 120.1° | 90.0° |
C21 | C16 | C17 | 120.0° | 90.0° |
C21 | C16 | C15 | 119.6° | 90.0° |
C18 | C17 | C16 | 119.9° | 90.0° |
C18 | C17 | H5 | 120.1° | 90.0° |
C17 | C18 | H17 | 119.9° | 90.0° |
C17 | C16 | C15 | 120.4° | 90.0° |
C16 | C17 | H5 | 120.0° | 90.0° |
C16 | C15 | C05 | 108.6° | 90.0° |
C16 | C15 | C11 | 109.5° | 90.0° |
C16 | C15 | H4 | 108.3° | 90.0° |
C15 | C05 | C06 | 118.6° | 90.0° |
C05 | C15 | C11 | 113.5° | 90.0° |
C05 | C15 | H4 | 108.3° | 90.0° |
C05 | C06 | C07 | 119.3° | 90.0° |
C05 | C06 | N08 | 118.0° | 90.0° |
C15 | C11 | N12 | 118.1° | 90.0° |
C15 | C11 | C09 | 120.1° | 90.0° |
C11 | C15 | H4 | 108.4° | 90.0° |
C07 | C06 | N08 | 119.3° | 90.0° |
C06 | C07 | H12 | 109.5° | 90.0° |
C06 | C07 | H13 | 109.4° | 90.0° |
C06 | C07 | H14 | 109.5° | 90.0° |
C06 | N08 | C09 | 119.5° | 90.0° |
C06 | N08 | H19 | 120.2° | 90.0° |
O13 | N12 | C11 | 119.6° | 90.0° |
O13 | N12 | O14 | 120.0° | 90.0° |
N12 | O13 | H10 | 88.8° | 90.0° |
N12 | C11 | C09 | 119.3° | 90.0° |
C11 | N12 | O14 | 120.3° | 90.0° |
C11 | C09 | N08 | 120.4° | 90.0° |
C11 | C09 | C10 | 119.8° | 90.0° |
N08 | C09 | C10 | 119.8° | 90.0° |
C09 | N08 | H19 | 120.3° | 90.0° |
C09 | C10 | H1 | 109.5° | 90.0° |
C09 | C10 | H2 | 109.5° | 90.0° |
C09 | C10 | H3 | 109.5° | 90.0° |
H1 | C10 | H2 | 109.4° | 90.0° |
H1 | C10 | H3 | 109.5° | 90.0° |
H2 | C10 | H3 | 109.5° | 90.0° |
H7 | C04 | H8 | 109.5° | 90.0° |
H7 | C04 | H9 | 109.5° | 90.0° |
H8 | C04 | H9 | 109.5° | 90.0° |
H12 | C07 | H13 | 109.4° | 90.0° |
H12 | C07 | H14 | 109.5° | 90.0° |
H13 | C07 | H14 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C04 | O03 | C02 | O01 | 61.7° | 90.0° |
C04 | O03 | C02 | C05 | 117.8° | 90.0° |
O03 | C04 | H7 | H8 | 120.0° | 90.0° |
O03 | C04 | H7 | H9 | 120.0° | 90.0° |
O03 | C04 | H8 | H9 | 120.0° | 90.0° |
O03 | C02 | O01 | C05 | 179.5° | 90.0° |
O03 | C02 | C05 | C15 | 87.6° | 90.0° |
O03 | C02 | C05 | C06 | 114.1° | 90.0° |
C02 | O03 | C04 | H7 | 180.0° | 90.0° |
C02 | O03 | C04 | H8 | 60.0° | 90.0° |
C02 | O03 | C04 | H9 | 60.0° | 90.0° |
F24 | C22 | F25 | C21 | 119.8° | 90.0° |
F24 | C22 | F25 | F23 | 120.1° | 90.0° |
F24 | C22 | C21 | C20 | 15.0° | 90.0° |
F24 | C22 | C21 | F23 | 120.1° | 90.0° |
F24 | C22 | C21 | C16 | 165.2° | 90.0° |
F25 | C22 | C21 | C20 | 134.9° | 90.0° |
F25 | C22 | C21 | F23 | 120.1° | 90.0° |
F25 | C22 | C21 | C16 | 45.3° | 90.0° |
C19 | C20 | C21 | H6 | 180.0° | 90.0° |
C19 | C20 | C21 | C22 | 179.9° | 90.0° |
C20 | C19 | C18 | H18 | 180.0° | 90.0° |
C19 | C20 | C21 | C16 | 0.1° | 90.0° |
C20 | C19 | C18 | C17 | 0.1° | 90.0° |
C20 | C19 | C18 | H17 | 180.0° | 90.0° |
C20 | C21 | C22 | C16 | 179.9° | 90.0° |
C20 | C21 | C22 | F23 | 105.1° | 90.0° |
C21 | C20 | C19 | C18 | 0.0° | 90.0° |
C20 | C21 | C16 | C17 | 0.1° | 90.0° |
C20 | C21 | C16 | C15 | 179.9° | 90.0° |
C21 | C20 | C19 | H18 | 180.0° | 90.0° |
C22 | C21 | C16 | C17 | 180.0° | 90.0° |
C22 | C21 | C16 | C15 | 0.2° | 90.0° |
C22 | C21 | C20 | H6 | 0.1° | 90.0° |
F23 | C22 | C21 | C16 | 74.8° | 90.0° |
O01 | C02 | C05 | C15 | 91.9° | 90.0° |
O01 | C02 | C05 | C06 | 66.4° | 90.0° |
C02 | C05 | C15 | C16 | 107.6° | 90.0° |
C02 | C05 | C15 | C06 | 158.5° | 90.0° |
C02 | C05 | C15 | C11 | 130.3° | 90.0° |
C02 | C05 | C06 | C07 | 76.3° | 90.0° |
C02 | C05 | C06 | N08 | 124.9° | 90.0° |
C02 | C05 | C15 | H4 | 9.8° | 90.0° |
C19 | C18 | C17 | H17 | 180.0° | 90.0° |
C19 | C18 | C17 | C16 | 0.0° | 90.0° |
C19 | C18 | C17 | H5 | 180.0° | 90.0° |
C18 | C19 | C20 | H6 | 180.0° | 90.0° |
C21 | C16 | C17 | C18 | 0.1° | 90.0° |
C21 | C16 | C17 | C15 | 179.8° | 90.0° |
C21 | C16 | C15 | C05 | 120.5° | 90.0° |
C21 | C16 | C15 | C11 | 115.0° | 90.0° |
C21 | C16 | C15 | H4 | 3.0° | 90.0° |
C21 | C16 | C17 | H5 | 179.9° | 90.0° |
C16 | C21 | C20 | H6 | 179.9° | 90.0° |
C18 | C17 | C16 | H5 | 180.0° | 90.0° |
C18 | C17 | C16 | C15 | 179.9° | 90.0° |
C17 | C18 | C19 | H18 | 179.9° | 90.0° |
C17 | C16 | C15 | C05 | 59.3° | 90.0° |
C17 | C16 | C15 | C11 | 65.2° | 90.0° |
C17 | C16 | C15 | H4 | 176.8° | 90.0° |
C16 | C17 | C18 | H17 | 180.0° | 90.0° |
C16 | C15 | C05 | C11 | 122.1° | 90.0° |
C16 | C15 | C05 | H4 | 117.5° | 90.0° |
C16 | C15 | C05 | C06 | 93.8° | 90.0° |
C16 | C15 | C11 | H4 | 118.0° | 90.0° |
C16 | C15 | C11 | N12 | 96.4° | 90.0° |
C16 | C15 | C11 | C09 | 101.7° | 90.0° |
C15 | C16 | C17 | H5 | 0.1° | 90.0° |
C05 | C15 | C11 | H4 | 120.4° | 90.0° |
C15 | C05 | C06 | C07 | 125.5° | 90.0° |
C15 | C05 | C06 | N08 | 33.3° | 90.0° |
C05 | C15 | C11 | N12 | 142.0° | 90.0° |
C05 | C15 | C11 | C09 | 19.9° | 90.0° |
C06 | C05 | C15 | C11 | 28.2° | 90.0° |
C05 | C06 | C07 | N08 | 158.5° | 90.0° |
C05 | C06 | N08 | C09 | 28.2° | 90.0° |
C06 | C05 | C15 | H4 | 148.7° | 90.0° |
C05 | C06 | C07 | H12 | 180.0° | 90.0° |
C05 | C06 | C07 | H13 | 60.0° | 90.0° |
C05 | C06 | C07 | H14 | 60.0° | 90.0° |
C05 | C06 | N08 | H19 | 151.8° | 90.0° |
C15 | C11 | N12 | O13 | 3.1° | 90.0° |
C15 | C11 | N12 | C09 | 162.0° | 90.0° |
C15 | C11 | C09 | N08 | 16.0° | 90.0° |
C15 | C11 | N12 | O14 | 176.7° | 90.0° |
C15 | C11 | C09 | C10 | 167.5° | 90.0° |
C07 | C06 | N08 | C09 | 130.6° | 90.0° |
C06 | C07 | H12 | H13 | 120.0° | 90.0° |
C06 | C07 | H12 | H14 | 120.0° | 90.0° |
C06 | C07 | H13 | H14 | 120.0° | 90.0° |
C07 | C06 | N08 | H19 | 49.4° | 90.0° |
C06 | N08 | C09 | C11 | 19.8° | 90.0° |
C06 | N08 | C09 | H19 | 180.0° | 90.0° |
C06 | N08 | C09 | C10 | 163.7° | 90.0° |
N08 | C06 | C07 | H12 | 21.5° | 90.0° |
N08 | C06 | C07 | H13 | 98.5° | 90.0° |
N08 | C06 | C07 | H14 | 141.5° | 90.0° |
O13 | N12 | C11 | O14 | 179.9° | 90.0° |
O13 | N12 | C11 | C09 | 165.1° | 90.0° |
N12 | C11 | C09 | N08 | 145.6° | 90.0° |
N12 | C11 | C09 | C10 | 30.9° | 90.0° |
N12 | C11 | C15 | H4 | 21.5° | 90.0° |
C11 | N12 | O13 | H10 | 38.1° | 90.0° |
C11 | C09 | N08 | C10 | 176.4° | 90.0° |
C09 | C11 | N12 | O14 | 14.8° | 90.0° |
C11 | C09 | C10 | H1 | 180.0° | 90.0° |
C11 | C09 | C10 | H2 | 60.0° | 90.0° |
C11 | C09 | C10 | H3 | 60.0° | 90.0° |
C09 | C11 | C15 | H4 | 140.3° | 90.0° |
C11 | C09 | N08 | H19 | 160.2° | 90.0° |
N08 | C09 | C10 | H1 | 3.5° | 90.0° |
N08 | C09 | C10 | H2 | 116.5° | 90.0° |
N08 | C09 | C10 | H3 | 123.5° | 90.0° |
O14 | N12 | O13 | H10 | 142.1° | 90.0° |
C09 | C10 | H1 | H2 | 120.0° | 90.0° |
C09 | C10 | H1 | H3 | 120.0° | 90.0° |
C09 | C10 | H2 | H3 | 120.0° | 90.0° |
C10 | C09 | N08 | H19 | 16.3° | 90.0° |
H1 | C10 | H2 | H3 | 120.0° | 90.0° |
H5 | C17 | C18 | H17 | 0.0° | 90.0° |
H6 | C20 | C19 | H18 | 0.0° | 90.0° |
H7 | C04 | H8 | H9 | 120.0° | 90.0° |
H12 | C07 | H13 | H14 | 120.0° | 90.0° |
H17 | C18 | C19 | H18 | 0.1° | 90.0° |