VYV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O22 | S20 | doub | 1.42Å | 1.47Å | |
N23 | S20 | sing | 1.66Å | 1.68Å | |
S20 | C01 | sing | 1.76Å | 1.78Å | |
S20 | O21 | doub | 1.42Å | 1.48Å | |
C02 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
C06 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
C04 | N07 | sing | 1.40Å | 1.44Å | |
N07 | S24 | sing | 1.66Å | 1.69Å | |
O26 | S24 | doub | 1.42Å | 1.47Å | |
S24 | O25 | doub | 1.42Å | 1.47Å | |
S24 | C08 | sing | 1.81Å | 1.80Å | |
C09 | C08 | sing | 1.53Å | 1.52Å | |
C09 | N10 | sing | 1.46Å | 1.44Å | |
O12 | C11 | doub | 1.22Å | 1.18Å | |
C11 | N10 | sing | 1.35Å | 1.43Å | |
C11 | N13 | sing | 1.35Å | 1.45Å | |
C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
N13 | C14 | sing | 1.40Å | 1.44Å | |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H2 | sing | 1.08Å | 1.08Å | |
C02 | H3 | sing | 1.08Å | 1.08Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
N07 | H7 | sing | 0.97Å | 1.00Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.09Å | 1.10Å | |
C09 | H11 | sing | 1.09Å | 1.10Å | |
N10 | H12 | sing | 0.97Å | 1.00Å | |
N13 | H13 | sing | 0.97Å | 1.00Å | |
C16 | H14 | sing | 1.08Å | 1.08Å | |
C18 | H15 | sing | 1.08Å | 1.08Å | |
C19 | H16 | sing | 1.08Å | 1.08Å | |
N23 | H17 | sing | 0.97Å | 1.00Å | |
N23 | H18 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O22 | S20 | N23 | 113.2° | 106.4° |
O22 | S20 | C01 | 105.6° | 106.4° |
O22 | S20 | O21 | 102.9° | 123.2° |
N23 | S20 | C01 | 110.2° | 107.2° |
N23 | S20 | O21 | 111.2° | 106.4° |
S20 | N23 | H17 | 109.5° | 119.9° |
S20 | N23 | H18 | 109.5° | 120.0° |
C01 | S20 | O21 | 113.5° | 106.4° |
S20 | C01 | C02 | 119.0° | 119.9° |
S20 | C01 | C06 | 118.2° | 120.0° |
C01 | C02 | C03 | 118.3° | 120.1° |
C02 | C01 | C06 | 122.8° | 120.1° |
C01 | C02 | H3 | 120.8° | 119.9° |
C02 | C03 | C04 | 119.3° | 119.9° |
C03 | C02 | H3 | 120.8° | 120.0° |
C02 | C03 | H4 | 120.3° | 120.0° |
C01 | C06 | C05 | 118.7° | 120.1° |
C01 | C06 | H6 | 120.6° | 120.0° |
C03 | C04 | C05 | 121.7° | 119.9° |
C03 | C04 | N07 | 118.8° | 120.1° |
C04 | C03 | H4 | 120.3° | 120.0° |
C06 | C05 | C04 | 119.1° | 119.9° |
C06 | C05 | H5 | 120.4° | 120.0° |
C05 | C06 | H6 | 120.7° | 119.9° |
C05 | C04 | N07 | 119.5° | 120.0° |
C04 | C05 | H5 | 120.4° | 120.1° |
C04 | N07 | S24 | 121.6° | 120.0° |
C04 | N07 | H7 | 106.4° | 120.0° |
N07 | S24 | O26 | 112.0° | 104.3° |
N07 | S24 | O25 | 110.6° | 104.3° |
N07 | S24 | C08 | 108.4° | 104.4° |
S24 | N07 | H7 | 106.4° | 120.0° |
O26 | S24 | O25 | 105.9° | 121.1° |
O26 | S24 | C08 | 110.5° | 110.5° |
O25 | S24 | C08 | 109.5° | 110.5° |
S24 | C08 | C09 | 106.3° | 109.5° |
S24 | C08 | H8 | 110.3° | 109.5° |
S24 | C08 | H9 | 110.3° | 109.5° |
C08 | C09 | N10 | 107.8° | 109.5° |
C09 | C08 | H8 | 110.2° | 109.5° |
C09 | C08 | H9 | 110.2° | 109.5° |
C08 | C09 | H10 | 109.9° | 109.5° |
C08 | C09 | H11 | 109.9° | 109.4° |
C09 | N10 | C11 | 116.9° | 120.0° |
N10 | C09 | H10 | 109.9° | 109.5° |
N10 | C09 | H11 | 109.9° | 109.4° |
C09 | N10 | H12 | 121.5° | 120.0° |
O12 | C11 | N10 | 119.4° | 120.0° |
O12 | C11 | N13 | 124.7° | 120.0° |
N10 | C11 | N13 | 115.9° | 120.0° |
C11 | N10 | H12 | 121.5° | 120.0° |
C11 | N13 | C14 | 124.4° | 120.0° |
C11 | N13 | H13 | 117.8° | 120.0° |
C16 | C15 | C14 | 118.8° | 119.9° |
C15 | C16 | C17 | 120.6° | 120.1° |
C16 | C15 | H1 | 120.6° | 120.1° |
C15 | C16 | H14 | 119.7° | 120.0° |
C15 | C14 | N13 | 122.3° | 120.1° |
C15 | C14 | C19 | 120.9° | 119.8° |
C14 | C15 | H1 | 120.6° | 120.0° |
N13 | C14 | C19 | 116.8° | 120.1° |
C14 | N13 | H13 | 117.8° | 120.0° |
C16 | C17 | C18 | 120.2° | 120.1° |
C16 | C17 | H2 | 119.9° | 119.9° |
C17 | C16 | H14 | 119.7° | 119.9° |
C14 | C19 | C18 | 120.0° | 120.0° |
C14 | C19 | H16 | 120.0° | 120.0° |
C17 | C18 | C19 | 119.4° | 120.1° |
C18 | C17 | H2 | 119.9° | 120.0° |
C17 | C18 | H15 | 120.3° | 120.0° |
C19 | C18 | H15 | 120.3° | 119.9° |
C18 | C19 | H16 | 120.0° | 120.0° |
H8 | C08 | H9 | 109.5° | 109.4° |
H10 | C09 | H11 | 109.5° | 109.5° |
H17 | N23 | H18 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O22 | S20 | N23 | C01 | 118.0° | 113.5° |
O22 | S20 | N23 | O21 | 115.3° | 132.9° |
O22 | S20 | C01 | O21 | 112.0° | 132.9° |
O22 | S20 | C01 | C02 | 113.5° | 156.7° |
O22 | S20 | C01 | C06 | 64.0° | 23.6° |
O22 | S20 | N23 | H17 | 180.0° | 96.4° |
O22 | S20 | N23 | H18 | 60.0° | 83.5° |
N23 | S20 | C01 | O21 | 125.4° | 113.5° |
N23 | S20 | C01 | C02 | 9.2° | 89.7° |
N23 | S20 | C01 | C06 | 173.4° | 90.0° |
S20 | N23 | H17 | H18 | 120.0° | 179.9° |
S20 | C01 | C02 | C06 | 177.3° | 179.7° |
S20 | C01 | C02 | C03 | 178.7° | 179.7° |
S20 | C01 | C06 | C05 | 178.5° | 179.7° |
S20 | C01 | C02 | H3 | 1.3° | 0.3° |
S20 | C01 | C06 | H6 | 1.5° | 0.3° |
C01 | S20 | N23 | H17 | 62.0° | 150.1° |
C01 | S20 | N23 | H18 | 58.0° | 30.0° |
O21 | S20 | C01 | C02 | 134.6° | 23.8° |
O21 | S20 | C01 | C06 | 48.0° | 156.5° |
O21 | S20 | N23 | H17 | 64.7° | 36.5° |
O21 | S20 | N23 | H18 | 175.3° | 143.6° |
C01 | C02 | C03 | H3 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.9° | 0.0° |
C02 | C01 | C06 | C05 | 1.2° | 0.0° |
C01 | C02 | C03 | H4 | 179.1° | 179.9° |
C02 | C01 | C06 | H6 | 178.8° | 180.0° |
C03 | C02 | C01 | C06 | 1.4° | 0.0° |
C02 | C03 | C04 | H4 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 0.3° | 0.0° |
C02 | C03 | C04 | N07 | 178.4° | 180.0° |
C01 | C06 | C05 | H6 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 0.6° | 0.1° |
C06 | C01 | C02 | H3 | 178.6° | 180.0° |
C01 | C06 | C05 | H5 | 179.5° | 180.0° |
C03 | C04 | C05 | C06 | 0.1° | 0.0° |
C03 | C04 | C05 | N07 | 178.7° | 180.0° |
C03 | C04 | N07 | S24 | 115.7° | 75.2° |
C04 | C03 | C02 | H3 | 179.1° | 180.0° |
C03 | C04 | C05 | H5 | 179.9° | 180.0° |
C03 | C04 | N07 | H7 | 122.6° | 104.7° |
C06 | C05 | C04 | H5 | 180.0° | 180.0° |
C06 | C05 | C04 | N07 | 178.6° | 180.0° |
C05 | C04 | N07 | S24 | 65.6° | 104.9° |
C05 | C04 | C03 | H4 | 179.7° | 179.9° |
C04 | C05 | C06 | H6 | 179.5° | 180.0° |
C05 | C04 | N07 | H7 | 56.1° | 75.3° |
C04 | N07 | S24 | H7 | 121.7° | 179.9° |
C04 | N07 | S24 | O26 | 160.8° | 51.6° |
C04 | N07 | S24 | O25 | 43.0° | 179.5° |
C04 | N07 | S24 | C08 | 77.1° | 64.5° |
N07 | C04 | C03 | H4 | 1.6° | 0.0° |
N07 | C04 | C05 | H5 | 1.4° | 0.0° |
N07 | S24 | O26 | O25 | 120.6° | 116.8° |
N07 | S24 | O26 | C08 | 121.0° | 111.7° |
N07 | S24 | O25 | C08 | 119.4° | 111.7° |
N07 | S24 | C08 | C09 | 58.9° | 175.1° |
N07 | S24 | C08 | H8 | 60.6° | 64.9° |
N07 | S24 | C08 | H9 | 178.4° | 55.0° |
O26 | S24 | O25 | C08 | 119.1° | 131.5° |
O26 | S24 | C08 | C09 | 64.2° | 63.5° |
O26 | S24 | N07 | H7 | 39.1° | 128.3° |
O26 | S24 | C08 | H8 | 176.3° | 176.5° |
O26 | S24 | C08 | H9 | 55.4° | 56.6° |
O25 | S24 | C08 | C09 | 179.6° | 73.3° |
O25 | S24 | N07 | H7 | 78.7° | 0.4° |
O25 | S24 | C08 | H8 | 60.1° | 46.7° |
O25 | S24 | C08 | H9 | 60.9° | 166.7° |
S24 | C08 | C09 | H8 | 119.5° | 120.0° |
S24 | C08 | C09 | H9 | 119.5° | 120.0° |
S24 | C08 | C09 | N10 | 164.8° | 180.0° |
C08 | S24 | N07 | H7 | 161.2° | 115.6° |
S24 | C08 | H8 | H9 | 121.5° | 120.0° |
S24 | C08 | C09 | H10 | 45.1° | 60.0° |
S24 | C08 | C09 | H11 | 75.4° | 60.0° |
C08 | C09 | N10 | H10 | 119.8° | 120.0° |
C08 | C09 | N10 | H11 | 119.7° | 120.0° |
C08 | C09 | N10 | C11 | 91.7° | 180.0° |
C09 | C08 | H8 | H9 | 121.4° | 120.0° |
C08 | C09 | H10 | H11 | 120.8° | 120.0° |
C08 | C09 | N10 | H12 | 88.3° | 0.0° |
C09 | N10 | C11 | O12 | 0.3° | 0.0° |
C09 | N10 | C11 | H12 | 180.0° | 179.9° |
C09 | N10 | C11 | N13 | 179.9° | 180.0° |
N10 | C09 | C08 | H8 | 75.7° | 60.0° |
N10 | C09 | C08 | H9 | 45.3° | 59.9° |
N10 | C09 | H10 | H11 | 120.8° | 120.0° |
O12 | C11 | N10 | N13 | 179.8° | 180.0° |
O12 | C11 | N13 | C14 | 1.2° | 4.6° |
O12 | C11 | N10 | H12 | 179.7° | 180.0° |
O12 | C11 | N13 | H13 | 178.8° | 175.4° |
N10 | C11 | N13 | C14 | 178.6° | 175.3° |
C11 | N10 | C09 | H10 | 148.5° | 60.0° |
C11 | N10 | C09 | H11 | 28.0° | 60.0° |
N10 | C11 | N13 | H13 | 1.4° | 4.7° |
C11 | N13 | C14 | C15 | 36.4° | 35.2° |
C11 | N13 | C14 | H13 | 180.0° | 180.0° |
C11 | N13 | C14 | C19 | 143.6° | 144.7° |
N13 | C11 | N10 | H12 | 0.1° | 0.1° |
C16 | C15 | C14 | H1 | 180.0° | 179.8° |
C16 | C15 | C14 | N13 | 179.6° | 180.0° |
C15 | C16 | C17 | H14 | 180.0° | 179.9° |
C16 | C15 | C14 | C19 | 0.4° | 0.1° |
C15 | C16 | C17 | C18 | 0.3° | 0.1° |
C15 | C16 | C17 | H2 | 179.7° | 179.9° |
C15 | C14 | N13 | C19 | 180.0° | 179.9° |
C14 | C15 | C16 | C17 | 0.4° | 0.1° |
C15 | C14 | C19 | C18 | 0.2° | 0.1° |
C15 | C14 | N13 | H13 | 143.6° | 144.7° |
C14 | C15 | C16 | H14 | 179.6° | 180.0° |
C15 | C14 | C19 | H16 | 179.8° | 180.0° |
N13 | C14 | C19 | C18 | 179.8° | 180.0° |
N13 | C14 | C15 | H1 | 0.4° | 0.2° |
N13 | C14 | C19 | H16 | 0.3° | 0.1° |
C16 | C17 | C18 | H2 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.1° | 0.1° |
C17 | C16 | C15 | H1 | 179.6° | 179.7° |
C16 | C17 | C18 | H15 | 179.9° | 180.0° |
C14 | C19 | C18 | C17 | 0.1° | 0.1° |
C14 | C19 | C18 | H16 | 180.0° | 179.9° |
C19 | C14 | C15 | H1 | 179.7° | 179.7° |
C19 | C14 | N13 | H13 | 36.4° | 35.3° |
C14 | C19 | C18 | H15 | 179.9° | 180.0° |
C17 | C18 | C19 | H15 | 180.0° | 179.9° |
C18 | C17 | C16 | H14 | 179.7° | 180.0° |
C17 | C18 | C19 | H16 | 179.9° | 180.0° |
C19 | C18 | C17 | H2 | 179.9° | 179.9° |
H1 | C15 | C16 | H14 | 0.4° | 0.2° |
H2 | C17 | C16 | H14 | 0.3° | 0.0° |
H2 | C17 | C18 | H15 | 0.1° | 0.0° |
H3 | C02 | C03 | H4 | 0.9° | 0.0° |
H5 | C05 | C06 | H6 | 0.5° | 0.0° |
H8 | C08 | C09 | H10 | 164.6° | 60.1° |
H8 | C08 | C09 | H11 | 44.1° | 180.0° |
H9 | C08 | C09 | H10 | 74.5° | 180.0° |
H9 | C08 | C09 | H11 | 165.0° | 60.0° |
H10 | C09 | N10 | H12 | 31.5° | 120.1° |
H11 | C09 | N10 | H12 | 152.0° | 119.9° |
H15 | C18 | C19 | H16 | 0.1° | 0.1° |