V26
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | C19 | sing | 1.51Å | 1.47Å | |
C18 | C17 | sing | 1.53Å | 1.53Å | |
C19 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
C24 | C23 | sing | 1.38Å | 1.36Å | Aromatic |
C17 | S14 | sing | 1.81Å | 1.77Å | |
C26 | N25 | sing | 1.47Å | 1.47Å | |
O16 | S14 | doub | 1.42Å | 1.48Å | |
N25 | C9 | sing | 1.40Å | 1.38Å | |
S14 | C8 | sing | 1.76Å | 1.77Å | |
S14 | O15 | doub | 1.42Å | 1.46Å | |
C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
F13 | C10 | sing | 1.35Å | 1.33Å | |
C10 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C7 | F12 | sing | 1.35Å | 1.32Å | |
C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C5 | S1 | sing | 1.76Å | 1.79Å | |
C6 | F11 | sing | 1.35Å | 1.34Å | |
N4 | S1 | sing | 1.66Å | 1.58Å | |
O2 | S1 | doub | 1.42Å | 1.43Å | |
S1 | O3 | doub | 1.42Å | 1.46Å | |
N25 | H1 | sing | 1.01Å | 1.00Å | |
C26 | H2 | sing | 1.09Å | 1.10Å | |
C26 | H3 | sing | 1.09Å | 1.10Å | |
C26 | H4 | sing | 1.09Å | 1.10Å | |
N4 | H5 | sing | 0.97Å | 1.00Å | |
N4 | H6 | sing | 0.97Å | 1.00Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C18 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.09Å | 1.10Å | |
C24 | H11 | sing | 1.08Å | 1.08Å | |
C23 | H12 | sing | 1.08Å | 1.08Å | |
C22 | H13 | sing | 1.08Å | 1.08Å | |
C21 | H14 | sing | 1.08Å | 1.08Å | |
C20 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C21 | C20 | C19 | 119.1° | 120.0° |
C20 | C21 | C22 | 122.4° | 120.0° |
C20 | C21 | H14 | 118.8° | 120.0° |
C21 | C20 | H15 | 120.4° | 120.0° |
C20 | C19 | C18 | 115.8° | 120.0° |
C20 | C19 | C24 | 117.8° | 120.0° |
C19 | C20 | H15 | 120.5° | 120.0° |
C21 | C22 | C23 | 118.8° | 120.0° |
C21 | C22 | H13 | 120.6° | 120.0° |
C22 | C21 | H14 | 118.8° | 120.0° |
C19 | C18 | C17 | 116.6° | 109.4° |
C18 | C19 | C24 | 125.8° | 120.0° |
C19 | C18 | H9 | 107.6° | 109.5° |
C19 | C18 | H10 | 107.7° | 109.5° |
C18 | C17 | S14 | 114.1° | 109.4° |
C18 | C17 | H7 | 108.3° | 109.5° |
C18 | C17 | H8 | 108.3° | 109.5° |
C17 | C18 | H9 | 107.7° | 109.4° |
C17 | C18 | H10 | 107.7° | 109.5° |
C19 | C24 | C23 | 123.8° | 120.0° |
C19 | C24 | H11 | 118.1° | 120.0° |
C22 | C23 | C24 | 117.1° | 120.0° |
C22 | C23 | H12 | 121.4° | 119.9° |
C23 | C22 | H13 | 120.6° | 120.1° |
C23 | C24 | H11 | 118.1° | 120.0° |
C24 | C23 | H12 | 121.5° | 120.0° |
C17 | S14 | O16 | 109.3° | 110.5° |
C17 | S14 | C8 | 105.9° | 104.4° |
C17 | S14 | O15 | 108.6° | 110.5° |
S14 | C17 | H7 | 108.3° | 109.5° |
S14 | C17 | H8 | 108.3° | 109.5° |
C26 | N25 | C9 | 122.7° | 111.0° |
C26 | N25 | H1 | 106.1° | 111.0° |
N25 | C26 | H2 | 109.5° | 109.5° |
N25 | C26 | H3 | 109.5° | 109.5° |
N25 | C26 | H4 | 109.5° | 109.5° |
O16 | S14 | C8 | 109.6° | 104.3° |
O16 | S14 | O15 | 114.7° | 121.1° |
N25 | C9 | C8 | 122.4° | 120.0° |
N25 | C9 | C10 | 120.6° | 120.1° |
C9 | N25 | H1 | 106.1° | 111.0° |
C8 | S14 | O15 | 108.3° | 104.3° |
S14 | C8 | C9 | 124.7° | 120.0° |
S14 | C8 | C7 | 116.2° | 120.0° |
C8 | C9 | C10 | 116.9° | 119.9° |
C9 | C8 | C7 | 119.0° | 120.0° |
C9 | C10 | F13 | 114.8° | 120.0° |
C9 | C10 | C5 | 126.3° | 120.0° |
C8 | C7 | F12 | 120.7° | 120.0° |
C8 | C7 | C6 | 120.2° | 120.0° |
F13 | C10 | C5 | 118.8° | 120.0° |
C10 | C5 | C6 | 113.9° | 120.0° |
C10 | C5 | S1 | 127.5° | 120.0° |
F12 | C7 | C6 | 119.0° | 120.0° |
C7 | C6 | C5 | 123.4° | 120.1° |
C7 | C6 | F11 | 117.5° | 120.0° |
C6 | C5 | S1 | 118.6° | 120.0° |
C5 | C6 | F11 | 119.1° | 119.9° |
C5 | S1 | N4 | 108.8° | 107.2° |
C5 | S1 | O2 | 105.8° | 106.4° |
C5 | S1 | O3 | 101.5° | 106.4° |
N4 | S1 | O2 | 109.3° | 106.4° |
N4 | S1 | O3 | 112.1° | 106.4° |
S1 | N4 | H5 | 109.5° | 120.0° |
S1 | N4 | H6 | 109.4° | 120.0° |
O2 | S1 | O3 | 118.5° | 123.2° |
H2 | C26 | H3 | 109.5° | 109.4° |
H2 | C26 | H4 | 109.5° | 109.4° |
H3 | C26 | H4 | 109.5° | 109.5° |
H5 | N4 | H6 | 109.5° | 120.0° |
H7 | C17 | H8 | 109.5° | 109.5° |
H9 | C18 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C21 | C20 | C19 | H15 | 180.0° | 179.3° |
C20 | C21 | C22 | H14 | 180.0° | 179.7° |
C21 | C20 | C19 | C18 | 177.2° | 179.7° |
C21 | C20 | C19 | C24 | 10.5° | 0.6° |
C20 | C21 | C22 | C23 | 3.1° | 0.3° |
C20 | C21 | C22 | H13 | 176.9° | 179.7° |
C19 | C20 | C21 | C22 | 6.1° | 0.6° |
C20 | C19 | C18 | C24 | 171.6° | 179.7° |
C20 | C19 | C18 | C17 | 137.2° | 90.3° |
C20 | C19 | C24 | C23 | 6.4° | 0.2° |
C20 | C19 | C18 | H9 | 101.8° | 149.7° |
C20 | C19 | C18 | H10 | 16.2° | 29.7° |
C20 | C19 | C24 | H11 | 173.6° | 179.7° |
C19 | C20 | C21 | H14 | 173.9° | 179.7° |
C21 | C22 | C23 | H13 | 180.0° | 180.0° |
C21 | C22 | C23 | C24 | 7.2° | 0.0° |
C21 | C22 | C23 | H12 | 172.8° | 180.0° |
C22 | C21 | C20 | H15 | 173.9° | 179.9° |
C19 | C18 | C17 | H9 | 121.0° | 120.0° |
C19 | C18 | C17 | H10 | 121.0° | 120.0° |
C18 | C19 | C24 | C23 | 177.8° | 180.0° |
C19 | C18 | C17 | S14 | 73.8° | 180.0° |
C19 | C18 | C17 | H7 | 46.9° | 60.0° |
C19 | C18 | C17 | H8 | 165.6° | 60.0° |
C19 | C18 | H9 | H10 | 116.8° | 120.1° |
C18 | C19 | C24 | H11 | 2.2° | 0.0° |
C18 | C19 | C20 | H15 | 2.8° | 0.4° |
C17 | C18 | C19 | C24 | 34.4° | 90.0° |
C18 | C17 | S14 | H7 | 120.7° | 120.0° |
C18 | C17 | S14 | H8 | 120.7° | 120.0° |
C18 | C17 | S14 | O16 | 42.0° | 69.1° |
C18 | C17 | S14 | C8 | 76.1° | 179.3° |
C18 | C17 | S14 | O15 | 167.8° | 67.7° |
C18 | C17 | H7 | H8 | 117.9° | 120.0° |
C17 | C18 | H9 | H10 | 116.8° | 120.0° |
C19 | C24 | C23 | C22 | 2.6° | 0.1° |
C19 | C24 | C23 | H11 | 180.0° | 179.9° |
C24 | C19 | C18 | H9 | 86.6° | 30.0° |
C24 | C19 | C18 | H10 | 155.4° | 150.1° |
C19 | C24 | C23 | H12 | 177.4° | 180.0° |
C24 | C19 | C20 | H15 | 169.5° | 179.9° |
C22 | C23 | C24 | H12 | 180.0° | 179.9° |
C22 | C23 | C24 | H11 | 177.4° | 180.0° |
C23 | C22 | C21 | H14 | 176.9° | 180.0° |
C24 | C23 | C22 | H13 | 172.8° | 179.9° |
C17 | S14 | O16 | C8 | 115.7° | 111.7° |
C17 | S14 | O16 | O15 | 122.2° | 131.5° |
C17 | S14 | C8 | O15 | 116.3° | 116.0° |
C17 | S14 | C8 | C9 | 117.0° | 73.4° |
C17 | S14 | C8 | C7 | 59.9° | 106.9° |
S14 | C17 | H7 | H8 | 117.9° | 120.0° |
S14 | C17 | C18 | H9 | 165.2° | 60.0° |
S14 | C17 | C18 | H10 | 47.3° | 60.0° |
C26 | N25 | C9 | H1 | 121.9° | 124.0° |
C26 | N25 | C9 | C8 | 142.3° | 114.3° |
C26 | N25 | C9 | C10 | 41.3° | 65.7° |
N25 | C26 | H2 | H3 | 120.0° | 120.0° |
N25 | C26 | H2 | H4 | 120.0° | 120.0° |
N25 | C26 | H3 | H4 | 120.0° | 120.0° |
O16 | S14 | C8 | O15 | 125.9° | 127.9° |
O16 | S14 | C8 | C9 | 0.8° | 42.6° |
O16 | S14 | C8 | C7 | 177.8° | 137.1° |
O16 | S14 | C17 | H7 | 162.6° | 170.9° |
O16 | S14 | C17 | H8 | 78.7° | 50.9° |
N25 | C9 | C8 | S14 | 2.9° | 0.1° |
N25 | C9 | C8 | C10 | 176.6° | 179.9° |
N25 | C9 | C8 | C7 | 179.8° | 179.8° |
N25 | C9 | C10 | F13 | 4.6° | 0.1° |
N25 | C9 | C10 | C5 | 178.6° | 180.0° |
C9 | N25 | C26 | H2 | 180.0° | 180.0° |
C9 | N25 | C26 | H3 | 60.0° | 60.1° |
C9 | N25 | C26 | H4 | 60.0° | 60.0° |
S14 | C8 | C9 | C7 | 176.9° | 179.7° |
S14 | C8 | C9 | C10 | 179.5° | 180.0° |
S14 | C8 | C7 | F12 | 2.0° | 0.1° |
S14 | C8 | C7 | C6 | 176.0° | 180.0° |
C8 | S14 | C17 | H7 | 44.6° | 59.3° |
C8 | S14 | C17 | H8 | 163.3° | 60.7° |
O15 | S14 | C8 | C9 | 126.7° | 170.5° |
O15 | S14 | C8 | C7 | 56.4° | 9.2° |
O15 | S14 | C17 | H7 | 71.5° | 52.3° |
O15 | S14 | C17 | H8 | 47.2° | 172.4° |
C8 | C9 | C10 | F13 | 172.0° | 180.0° |
C8 | C9 | C10 | C5 | 4.8° | 0.1° |
C9 | C8 | C7 | F12 | 179.2° | 179.8° |
C9 | C8 | C7 | C6 | 1.1° | 0.3° |
C8 | C9 | N25 | H1 | 20.4° | 9.7° |
C10 | C9 | C8 | C7 | 3.7° | 0.3° |
C9 | C10 | F13 | C5 | 177.0° | 180.0° |
C9 | C10 | C5 | C6 | 0.7° | 0.2° |
C9 | C10 | C5 | S1 | 179.6° | 180.0° |
C10 | C9 | N25 | H1 | 163.2° | 170.3° |
C8 | C7 | F12 | C6 | 178.1° | 180.0° |
C8 | C7 | C6 | C5 | 5.7° | 0.0° |
C8 | C7 | C6 | F11 | 175.8° | 180.0° |
F13 | C10 | C5 | C6 | 176.0° | 179.8° |
F13 | C10 | C5 | S1 | 3.0° | 0.0° |
C10 | C5 | C6 | C7 | 4.6° | 0.2° |
C10 | C5 | C6 | S1 | 179.1° | 179.8° |
C10 | C5 | C6 | F11 | 176.8° | 179.7° |
C10 | C5 | S1 | N4 | 115.8° | 90.0° |
C10 | C5 | S1 | O2 | 1.5° | 156.5° |
C10 | C5 | S1 | O3 | 125.8° | 23.5° |
F12 | C7 | C6 | C5 | 176.3° | 180.0° |
F12 | C7 | C6 | F11 | 2.3° | 0.1° |
C7 | C6 | C5 | F11 | 178.6° | 179.9° |
C7 | C6 | C5 | S1 | 174.4° | 180.0° |
C6 | C5 | S1 | N4 | 65.2° | 90.2° |
C6 | C5 | S1 | O2 | 177.4° | 23.3° |
C6 | C5 | S1 | O3 | 53.2° | 156.3° |
S1 | C5 | C6 | F11 | 4.1° | 0.1° |
C5 | S1 | N4 | O2 | 115.0° | 113.5° |
C5 | S1 | N4 | O3 | 111.5° | 113.6° |
C5 | S1 | O2 | O3 | 112.9° | 123.0° |
C5 | S1 | N4 | H5 | 180.0° | 0.0° |
C5 | S1 | N4 | H6 | 60.0° | 180.0° |
N4 | S1 | O2 | O3 | 130.1° | 122.9° |
S1 | N4 | H5 | H6 | 120.0° | 179.9° |
O2 | S1 | N4 | H5 | 65.0° | 113.6° |
O2 | S1 | N4 | H6 | 55.0° | 66.5° |
O3 | S1 | N4 | H5 | 68.5° | 113.5° |
O3 | S1 | N4 | H6 | 171.5° | 66.4° |
H1 | N25 | C26 | H2 | 58.2° | 56.0° |
H1 | N25 | C26 | H3 | 61.8° | 64.0° |
H1 | N25 | C26 | H4 | 178.2° | 176.0° |
H2 | C26 | H3 | H4 | 120.0° | 119.9° |
H7 | C17 | C18 | H9 | 74.1° | 180.0° |
H7 | C17 | C18 | H10 | 167.9° | 60.0° |
H8 | C17 | C18 | H9 | 44.6° | 60.0° |
H8 | C17 | C18 | H10 | 73.4° | 180.0° |
H11 | C24 | C23 | H12 | 2.6° | 0.1° |
H12 | C23 | C22 | H13 | 7.2° | 0.0° |
H13 | C22 | C21 | H14 | 3.1° | 0.0° |
H14 | C21 | C20 | H15 | 6.1° | 0.4° |