A1AGF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.21Å | 1.21Å | |
C02 | C03 | sing | 1.51Å | 1.48Å | |
C02 | N29 | sing | 1.34Å | 1.41Å | |
C03 | C04 | sing | 1.55Å | 1.50Å | |
O24 | C20 | doub | 1.21Å | 1.20Å | |
N29 | C30 | sing | 1.46Å | 1.45Å | |
N29 | C05 | sing | 1.47Å | 1.46Å | |
C30 | C31 | sing | 1.51Å | 1.51Å | |
C36 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | N21 | sing | 1.34Å | 1.40Å | |
C20 | C19 | sing | 1.51Å | 1.52Å | |
C04 | C05 | sing | 1.54Å | 1.56Å | |
N21 | C22 | sing | 1.47Å | 1.48Å | |
C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.53Å | 1.55Å | |
C06 | O07 | sing | 1.45Å | 1.41Å | |
O28 | C08 | doub | 1.22Å | 1.23Å | |
C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
O07 | C08 | sing | 1.35Å | 1.36Å | |
C19 | C18 | sing | 1.53Å | 1.54Å | |
C19 | C23 | sing | 1.55Å | 1.55Å | |
C08 | N09 | sing | 1.35Å | 1.35Å | |
C22 | C23 | sing | 1.54Å | 1.54Å | |
C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.53Å | 1.51Å | |
C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | C17 | sing | 1.53Å | 1.58Å | |
N09 | C10 | sing | 1.47Å | 1.47Å | |
C10 | C15 | sing | 1.51Å | 1.54Å | |
C10 | C11 | sing | 1.53Å | 1.54Å | |
N16 | C17 | sing | 1.46Å | 1.46Å | |
N16 | C15 | sing | 1.35Å | 1.39Å | |
C12 | C11 | sing | 1.53Å | 1.52Å | |
C12 | C14 | sing | 1.53Å | 1.54Å | |
C17 | C25 | sing | 1.53Å | 1.54Å | |
C15 | O27 | doub | 1.21Å | 1.22Å | |
C25 | O26 | sing | 1.43Å | 1.41Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C33 | H2 | sing | 1.08Å | 1.08Å | |
C11 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C17 | H5 | sing | 1.09Å | 1.10Å | |
C22 | H6 | sing | 1.09Å | 1.10Å | |
C22 | H7 | sing | 1.09Å | 1.10Å | |
C23 | H8 | sing | 1.09Å | 1.10Å | |
C23 | H9 | sing | 1.09Å | 1.10Å | |
C25 | H10 | sing | 1.09Å | 1.10Å | |
C25 | S1 | sing | 1.81Å | 1.07Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C03 | H13 | sing | 1.09Å | 1.10Å | |
C03 | H14 | sing | 1.09Å | 1.10Å | |
C04 | H15 | sing | 1.09Å | 1.10Å | |
C04 | H16 | sing | 1.09Å | 1.10Å | |
C05 | H17 | sing | 1.09Å | 1.10Å | |
C06 | H18 | sing | 1.09Å | 1.10Å | |
C06 | H19 | sing | 1.09Å | 1.10Å | |
C13 | H20 | sing | 1.09Å | 1.10Å | |
C13 | H21 | sing | 1.09Å | 1.10Å | |
C13 | H22 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.09Å | 1.10Å | |
C14 | H24 | sing | 1.09Å | 1.10Å | |
C14 | H25 | sing | 1.09Å | 1.10Å | |
C18 | H26 | sing | 1.09Å | 1.10Å | |
C18 | H27 | sing | 1.09Å | 1.10Å | |
C19 | H28 | sing | 1.09Å | 1.10Å | |
C30 | H29 | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C32 | H31 | sing | 1.08Å | 1.08Å | |
C34 | H32 | sing | 1.08Å | 1.08Å | |
C35 | H33 | sing | 1.08Å | 1.08Å | |
C36 | H34 | sing | 1.08Å | 1.08Å | |
N09 | H35 | sing | 0.97Å | 1.00Å | |
N16 | H36 | sing | 0.97Å | 1.00Å | |
N21 | H37 | sing | 0.97Å | 1.00Å | |
O26 | H38 | sing | 0.97Å | 0.95Å | |
S1 | O2 | sing | 1.52Å | 34.17Å | |
S1 | O3 | doub | 1.42Å | 34.17Å | |
S1 | O1 | doub | 1.42Å | 34.17Å | |
O2 | H11 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | C03 | 125.4° | 124.9° |
O01 | C02 | N29 | 125.2° | 124.9° |
C03 | C02 | N29 | 109.4° | 110.1° |
C02 | C03 | C04 | 105.8° | 104.2° |
C02 | C03 | H13 | 110.4° | 110.6° |
C02 | C03 | H14 | 110.4° | 110.5° |
C02 | N29 | C30 | 121.4° | 124.4° |
C02 | N29 | C05 | 111.6° | 111.3° |
C03 | C04 | C05 | 105.9° | 101.8° |
C04 | C03 | H13 | 110.4° | 110.5° |
C04 | C03 | H14 | 110.4° | 110.4° |
C03 | C04 | H15 | 110.4° | 110.9° |
C03 | C04 | H16 | 110.4° | 111.0° |
O24 | C20 | N21 | 123.0° | 124.9° |
O24 | C20 | C19 | 128.0° | 125.0° |
C30 | N29 | C05 | 127.0° | 124.3° |
N29 | C30 | C31 | 115.7° | 109.5° |
N29 | C30 | H29 | 107.9° | 109.5° |
N29 | C30 | H30 | 107.9° | 109.5° |
N29 | C05 | C04 | 104.2° | 105.5° |
N29 | C05 | C06 | 108.2° | 110.3° |
N29 | C05 | H17 | 112.9° | 110.3° |
C30 | C31 | C36 | 123.1° | 120.0° |
C30 | C31 | C32 | 118.8° | 120.0° |
C31 | C30 | H29 | 107.9° | 109.5° |
C31 | C30 | H30 | 107.9° | 109.4° |
C31 | C36 | C35 | 120.8° | 120.0° |
C36 | C31 | C32 | 118.1° | 120.0° |
C31 | C36 | H34 | 119.6° | 120.0° |
C36 | C35 | C34 | 120.5° | 120.0° |
C36 | C35 | H33 | 119.8° | 120.0° |
C35 | C36 | H34 | 119.6° | 120.0° |
N21 | C20 | C19 | 109.0° | 110.1° |
C20 | N21 | C22 | 112.4° | 111.3° |
C20 | N21 | H37 | 123.8° | 124.4° |
C20 | C19 | C18 | 112.7° | 110.5° |
C20 | C19 | C23 | 103.8° | 104.2° |
C20 | C19 | H28 | 110.0° | 110.5° |
C04 | C05 | C06 | 108.6° | 110.2° |
C05 | C04 | H15 | 110.4° | 111.0° |
C05 | C04 | H16 | 110.4° | 111.0° |
C04 | C05 | H17 | 111.3° | 110.3° |
N21 | C22 | C23 | 103.7° | 105.4° |
N21 | C22 | H6 | 110.9° | 110.2° |
N21 | C22 | H7 | 110.9° | 110.4° |
C22 | N21 | H37 | 123.8° | 124.3° |
C31 | C32 | C33 | 121.5° | 119.9° |
C31 | C32 | H31 | 119.2° | 120.0° |
C05 | C06 | O07 | 113.2° | 109.5° |
C06 | C05 | H17 | 111.4° | 110.2° |
C05 | C06 | H18 | 108.6° | 109.4° |
C05 | C06 | H19 | 108.6° | 109.5° |
C06 | O07 | C08 | 114.7° | 117.0° |
O07 | C06 | H18 | 108.6° | 109.5° |
O07 | C06 | H19 | 108.5° | 109.5° |
O28 | C08 | O07 | 119.3° | 120.0° |
O28 | C08 | N09 | 122.1° | 120.0° |
C35 | C34 | C33 | 118.8° | 120.0° |
C35 | C34 | H32 | 120.6° | 120.0° |
C34 | C35 | H33 | 119.7° | 120.0° |
O07 | C08 | N09 | 118.7° | 120.0° |
C18 | C19 | C23 | 110.8° | 110.5° |
C19 | C18 | C17 | 114.3° | 109.5° |
C19 | C18 | H26 | 108.3° | 109.5° |
C19 | C18 | H27 | 108.3° | 109.5° |
C18 | C19 | H28 | 109.7° | 110.5° |
C19 | C23 | C22 | 106.0° | 101.8° |
C19 | C23 | H8 | 110.3° | 111.0° |
C19 | C23 | H9 | 110.3° | 111.0° |
C23 | C19 | H28 | 109.7° | 110.6° |
C08 | N09 | C10 | 121.2° | 120.0° |
C08 | N09 | H35 | 119.4° | 120.0° |
C23 | C22 | H6 | 110.9° | 110.2° |
C23 | C22 | H7 | 110.9° | 110.3° |
C22 | C23 | H8 | 110.4° | 111.0° |
C22 | C23 | H9 | 110.4° | 111.0° |
C32 | C33 | C34 | 120.3° | 120.0° |
C32 | C33 | H2 | 119.8° | 120.0° |
C33 | C32 | H31 | 119.3° | 120.0° |
C13 | C12 | C11 | 112.0° | 109.5° |
C13 | C12 | C14 | 107.1° | 109.5° |
C13 | C12 | H12 | 108.8° | 109.4° |
C12 | C13 | H20 | 109.5° | 109.4° |
C12 | C13 | H21 | 109.5° | 109.5° |
C12 | C13 | H22 | 109.5° | 109.4° |
C34 | C33 | H2 | 119.9° | 120.0° |
C33 | C34 | H32 | 120.6° | 120.0° |
C18 | C17 | N16 | 108.6° | 109.4° |
C18 | C17 | C25 | 110.0° | 109.5° |
C18 | C17 | H5 | 108.6° | 109.5° |
C17 | C18 | H26 | 108.2° | 109.5° |
C17 | C18 | H27 | 108.2° | 109.4° |
N09 | C10 | C15 | 108.4° | 109.5° |
N09 | C10 | C11 | 110.7° | 109.4° |
N09 | C10 | H1 | 110.6° | 109.5° |
C10 | N09 | H35 | 119.4° | 120.0° |
C15 | C10 | C11 | 107.5° | 109.5° |
C10 | C15 | N16 | 118.5° | 120.0° |
C10 | C15 | O27 | 119.8° | 120.0° |
C15 | C10 | H1 | 109.8° | 109.6° |
C10 | C11 | C12 | 115.0° | 109.5° |
C11 | C10 | H1 | 109.8° | 109.4° |
C10 | C11 | H3 | 108.1° | 109.5° |
C10 | C11 | H4 | 108.1° | 109.5° |
C17 | N16 | C15 | 122.6° | 120.0° |
N16 | C17 | C25 | 110.3° | 109.5° |
N16 | C17 | H5 | 110.1° | 109.5° |
C17 | N16 | H36 | 118.7° | 120.0° |
N16 | C15 | O27 | 121.7° | 120.0° |
C15 | N16 | H36 | 118.7° | 120.0° |
C11 | C12 | C14 | 111.6° | 109.5° |
C12 | C11 | H3 | 108.1° | 109.4° |
C12 | C11 | H4 | 108.1° | 109.5° |
C11 | C12 | H12 | 108.8° | 109.5° |
C14 | C12 | H12 | 108.4° | 109.5° |
C12 | C14 | H23 | 109.5° | 109.5° |
C12 | C14 | H24 | 109.5° | 109.5° |
C12 | C14 | H25 | 109.5° | 109.5° |
C17 | C25 | O26 | 105.2° | 109.5° |
C25 | C17 | H5 | 109.1° | 109.4° |
C17 | C25 | H10 | 106.2° | 109.5° |
C17 | C25 | S1 | 111.8° | 109.5° |
O26 | C25 | H10 | 107.7° | 109.4° |
O26 | C25 | S1 | 111.8° | 109.5° |
C25 | O26 | H38 | 109.5° | 114.0° |
H3 | C11 | H4 | 109.5° | 109.5° |
H6 | C22 | H7 | 109.4° | 110.2° |
H8 | C23 | H9 | 109.5° | 110.8° |
H10 | C25 | S1 | 113.6° | 109.4° |
C25 | S1 | O2 | 135.8° | 104.5° |
C25 | S1 | O3 | 135.8° | 110.5° |
C25 | S1 | O1 | 135.8° | 110.5° |
H13 | C03 | H14 | 109.5° | 110.5° |
H15 | C04 | H16 | 109.5° | 110.9° |
H18 | C06 | H19 | 109.4° | 109.4° |
H20 | C13 | H21 | 109.5° | 109.5° |
H20 | C13 | H22 | 109.5° | 109.5° |
H21 | C13 | H22 | 109.4° | 109.5° |
H23 | C14 | H24 | 109.5° | 109.4° |
H23 | C14 | H25 | 109.5° | 109.5° |
H24 | C14 | H25 | 109.4° | 109.4° |
H26 | C18 | H27 | 109.5° | 109.5° |
H29 | C30 | H30 | 109.4° | 109.4° |
O2 | S1 | O3 | 0.0° | 104.3° |
O2 | S1 | O1 | 0.0° | 104.3° |
S1 | O2 | H11 | 90.0° | 114.0° |
O3 | S1 | O1 | 0.0° | 121.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | C03 | N29 | 178.4° | 179.8° |
O01 | C02 | C03 | C04 | 169.6° | 164.0° |
O01 | C02 | N29 | C30 | 1.6° | 0.7° |
O01 | C02 | N29 | C05 | 179.6° | 179.3° |
O01 | C02 | C03 | H13 | 50.2° | 45.4° |
O01 | C02 | C03 | H14 | 71.0° | 77.4° |
C02 | C03 | C04 | H13 | 119.4° | 118.7° |
C02 | C03 | C04 | H14 | 119.4° | 118.7° |
C03 | C02 | N29 | C30 | 180.0° | 179.6° |
C03 | C02 | N29 | C05 | 1.1° | 0.4° |
C02 | C03 | C04 | C05 | 17.4° | 24.7° |
C02 | C03 | H13 | H14 | 121.7° | 122.7° |
C02 | C03 | C04 | H15 | 102.0° | 93.4° |
C02 | C03 | C04 | H16 | 136.9° | 142.9° |
N29 | C02 | C03 | C04 | 12.0° | 16.2° |
C02 | N29 | C30 | C05 | 178.7° | 180.0° |
C02 | N29 | C30 | C31 | 94.1° | 90.0° |
C02 | N29 | C05 | C04 | 9.7° | 17.0° |
C02 | N29 | C05 | C06 | 105.6° | 102.0° |
N29 | C02 | C03 | H13 | 131.4° | 134.9° |
N29 | C02 | C03 | H14 | 107.4° | 102.4° |
C02 | N29 | C05 | H17 | 130.6° | 136.0° |
C02 | N29 | C30 | H29 | 145.0° | 30.0° |
C02 | N29 | C30 | H30 | 26.8° | 150.0° |
C03 | C04 | C05 | N29 | 16.6° | 25.4° |
C03 | C04 | C05 | H15 | 119.4° | 118.1° |
C03 | C04 | C05 | H16 | 119.4° | 118.2° |
C03 | C04 | C05 | C06 | 98.4° | 93.7° |
C04 | C03 | H13 | H14 | 121.7° | 122.5° |
C03 | C04 | H15 | H16 | 121.7° | 123.8° |
C03 | C04 | C05 | H17 | 138.6° | 144.4° |
O24 | C20 | N21 | C19 | 179.3° | 179.9° |
O24 | C20 | N21 | C22 | 179.7° | 179.6° |
O24 | C20 | C19 | C18 | 46.7° | 77.5° |
O24 | C20 | C19 | C23 | 166.7° | 163.8° |
O24 | C20 | C19 | H28 | 76.1° | 45.0° |
O24 | C20 | N21 | H37 | 0.3° | 0.5° |
N29 | C30 | C31 | H29 | 120.9° | 120.0° |
N29 | C30 | C31 | H30 | 120.9° | 120.0° |
N29 | C30 | C31 | C36 | 56.1° | 90.0° |
C30 | N29 | C05 | C04 | 169.1° | 163.0° |
N29 | C30 | C31 | C32 | 122.6° | 90.0° |
C30 | N29 | C05 | C06 | 75.6° | 78.0° |
C30 | N29 | C05 | H17 | 48.2° | 43.9° |
N29 | C30 | H29 | H30 | 117.2° | 120.0° |
C05 | N29 | C30 | C31 | 84.6° | 89.9° |
N29 | C05 | C04 | C06 | 115.1° | 119.1° |
N29 | C05 | C04 | H17 | 121.9° | 119.0° |
N29 | C05 | C06 | H17 | 124.6° | 122.0° |
N29 | C05 | C06 | O07 | 73.0° | 62.5° |
N29 | C05 | C04 | H15 | 102.8° | 92.7° |
N29 | C05 | C04 | H16 | 136.1° | 143.5° |
N29 | C05 | C06 | H18 | 166.4° | 57.5° |
N29 | C05 | C06 | H19 | 47.5° | 177.4° |
C05 | N29 | C30 | H29 | 36.3° | 150.0° |
C05 | N29 | C30 | H30 | 154.5° | 30.0° |
C30 | C31 | C36 | C32 | 178.7° | 180.0° |
C30 | C31 | C36 | C35 | 179.4° | 179.7° |
C30 | C31 | C32 | C33 | 179.9° | 180.0° |
C31 | C30 | H29 | H30 | 117.2° | 120.0° |
C30 | C31 | C32 | H31 | 0.1° | 0.0° |
C30 | C31 | C36 | H34 | 0.6° | 0.1° |
C31 | C36 | C35 | H34 | 180.0° | 179.8° |
C31 | C36 | C35 | C34 | 0.1° | 0.2° |
C36 | C31 | C32 | C33 | 1.2° | 0.0° |
C36 | C31 | C30 | H29 | 177.1° | 30.0° |
C36 | C31 | C30 | H30 | 64.8° | 150.0° |
C36 | C31 | C32 | H31 | 178.8° | 180.0° |
C31 | C36 | C35 | H33 | 179.9° | 179.7° |
C35 | C36 | C31 | C32 | 0.7° | 0.2° |
C36 | C35 | C34 | H33 | 180.0° | 179.9° |
C36 | C35 | C34 | C33 | 0.1° | 0.0° |
C36 | C35 | C34 | H32 | 179.9° | 180.0° |
C20 | N21 | C22 | H37 | 180.0° | 179.9° |
N21 | C20 | C19 | C18 | 134.0° | 102.4° |
N21 | C20 | C19 | C23 | 14.1° | 16.3° |
C20 | N21 | C22 | C23 | 13.6° | 16.9° |
C20 | N21 | C22 | H6 | 105.5° | 102.0° |
C20 | N21 | C22 | H7 | 132.7° | 136.0° |
N21 | C20 | C19 | H28 | 103.2° | 135.1° |
C19 | C20 | N21 | C22 | 0.4° | 0.3° |
C20 | C19 | C18 | C23 | 115.8° | 114.8° |
C20 | C19 | C18 | H28 | 123.0° | 122.5° |
C20 | C19 | C23 | H28 | 117.5° | 118.7° |
C20 | C19 | C23 | C22 | 22.0° | 24.8° |
C20 | C19 | C18 | C17 | 177.6° | 66.5° |
C20 | C19 | C23 | H8 | 97.5° | 93.3° |
C20 | C19 | C23 | H9 | 141.4° | 143.0° |
C20 | C19 | C18 | H26 | 61.7° | 53.6° |
C20 | C19 | C18 | H27 | 56.9° | 173.6° |
C19 | C20 | N21 | H37 | 179.6° | 179.6° |
C04 | C05 | C06 | H17 | 122.9° | 121.9° |
C04 | C05 | C06 | O07 | 174.5° | 53.5° |
C05 | C04 | C03 | H13 | 136.9° | 143.5° |
C05 | C04 | C03 | H14 | 102.0° | 93.9° |
C05 | C04 | H15 | H16 | 121.7° | 123.9° |
C04 | C05 | C06 | H18 | 54.0° | 173.6° |
C04 | C05 | C06 | H19 | 64.9° | 66.5° |
N21 | C22 | C23 | C19 | 21.7° | 25.4° |
N21 | C22 | C23 | H6 | 119.1° | 118.9° |
N21 | C22 | C23 | H7 | 119.1° | 119.1° |
N21 | C22 | H6 | H7 | 122.7° | 122.0° |
N21 | C22 | C23 | H8 | 97.7° | 92.8° |
N21 | C22 | C23 | H9 | 141.1° | 143.6° |
C31 | C32 | C33 | H31 | 180.0° | 180.0° |
C31 | C32 | C33 | C34 | 1.0° | 0.2° |
C31 | C32 | C33 | H2 | 179.0° | 180.0° |
C32 | C31 | C30 | H29 | 1.6° | 150.0° |
C32 | C31 | C30 | H30 | 116.5° | 30.0° |
C32 | C31 | C36 | H34 | 179.3° | 180.0° |
C05 | C06 | O07 | H18 | 120.6° | 120.0° |
C05 | C06 | O07 | H19 | 120.6° | 120.0° |
C05 | C06 | O07 | C08 | 166.4° | 180.0° |
C06 | C05 | C04 | H15 | 142.1° | 148.2° |
C06 | C05 | C04 | H16 | 21.0° | 24.5° |
C05 | C06 | H18 | H19 | 118.3° | 120.0° |
C06 | O07 | C08 | O28 | 20.0° | 0.0° |
C06 | O07 | C08 | N09 | 159.7° | 180.0° |
O07 | C06 | C05 | H17 | 51.6° | 175.5° |
O07 | C06 | H18 | H19 | 118.3° | 120.0° |
O28 | C08 | O07 | N09 | 179.7° | 179.9° |
O28 | C08 | N09 | C10 | 1.9° | 5.0° |
O28 | C08 | N09 | H35 | 178.1° | 174.9° |
C35 | C34 | C33 | C32 | 0.3° | 0.2° |
C35 | C34 | C33 | H32 | 180.0° | 180.0° |
C35 | C34 | C33 | H2 | 179.7° | 180.0° |
C34 | C35 | C36 | H34 | 179.9° | 180.0° |
O07 | C08 | N09 | C10 | 177.9° | 175.0° |
C08 | O07 | C06 | H18 | 45.8° | 60.0° |
C08 | O07 | C06 | H19 | 73.1° | 60.0° |
O07 | C08 | N09 | H35 | 2.1° | 5.0° |
C18 | C19 | C23 | H28 | 121.2° | 122.6° |
C18 | C19 | C23 | C22 | 143.2° | 93.9° |
C19 | C18 | C17 | H26 | 120.7° | 120.1° |
C19 | C18 | C17 | H27 | 120.7° | 120.0° |
C19 | C18 | C17 | N16 | 62.8° | 66.3° |
C19 | C18 | C17 | C25 | 176.3° | 173.7° |
C19 | C18 | C17 | H5 | 57.0° | 53.7° |
C18 | C19 | C23 | H8 | 23.8° | 148.0° |
C18 | C19 | C23 | H9 | 97.3° | 24.3° |
C19 | C18 | H26 | H27 | 117.9° | 120.0° |
C19 | C23 | C22 | H8 | 119.5° | 118.1° |
C19 | C23 | C22 | H9 | 119.4° | 118.2° |
C23 | C19 | C18 | C17 | 66.6° | 178.8° |
C19 | C23 | C22 | H6 | 97.4° | 93.6° |
C19 | C23 | C22 | H7 | 140.8° | 144.5° |
C19 | C23 | H8 | H9 | 121.6° | 123.8° |
C23 | C19 | C18 | H26 | 54.1° | 61.2° |
C23 | C19 | C18 | H27 | 172.7° | 58.8° |
C08 | N09 | C10 | H35 | 180.0° | 180.0° |
C08 | N09 | C10 | C15 | 60.2° | 151.9° |
C08 | N09 | C10 | C11 | 177.9° | 88.2° |
C08 | N09 | C10 | H1 | 60.2° | 31.7° |
C23 | C22 | H6 | H7 | 122.7° | 122.0° |
C22 | C23 | H8 | H9 | 121.6° | 123.8° |
C22 | C23 | C19 | H28 | 95.5° | 143.5° |
C23 | C22 | N21 | H37 | 166.4° | 163.0° |
C32 | C33 | C34 | H2 | 180.0° | 179.8° |
C32 | C33 | C34 | H32 | 179.7° | 179.8° |
C13 | C12 | C11 | C10 | 63.5° | 66.1° |
C13 | C12 | C11 | C14 | 120.1° | 120.0° |
C13 | C12 | C11 | H12 | 120.3° | 120.0° |
C13 | C12 | C14 | H12 | 117.3° | 120.0° |
C13 | C12 | C11 | H3 | 175.7° | 53.8° |
C13 | C12 | C11 | H4 | 57.3° | 173.8° |
C12 | C13 | H20 | H21 | 120.0° | 120.0° |
C12 | C13 | H20 | H22 | 120.0° | 120.0° |
C12 | C13 | H21 | H22 | 120.0° | 120.0° |
C13 | C12 | C14 | H23 | 180.0° | 180.0° |
C13 | C12 | C14 | H24 | 60.0° | 60.0° |
C13 | C12 | C14 | H25 | 60.0° | 60.0° |
C34 | C33 | C32 | H31 | 179.0° | 179.8° |
C33 | C34 | C35 | H33 | 179.9° | 179.9° |
C18 | C17 | N16 | C25 | 120.7° | 120.0° |
C18 | C17 | N16 | H5 | 118.8° | 120.0° |
C18 | C17 | N16 | C15 | 125.5° | 155.0° |
C18 | C17 | C25 | H5 | 119.0° | 120.0° |
C18 | C17 | C25 | O26 | 56.4° | 174.4° |
C18 | C17 | C25 | H10 | 170.4° | 54.5° |
C18 | C17 | C25 | S1 | 65.1° | 65.5° |
C17 | C18 | H26 | H27 | 117.8° | 119.9° |
C17 | C18 | C19 | H28 | 54.6° | 56.1° |
C18 | C17 | N16 | H36 | 54.5° | 25.0° |
N09 | C10 | C15 | C11 | 119.7° | 119.9° |
N09 | C10 | C15 | H1 | 120.9° | 120.1° |
N09 | C10 | C11 | H1 | 122.4° | 119.9° |
N09 | C10 | C15 | N16 | 127.1° | 160.1° |
N09 | C10 | C11 | C12 | 64.4° | 174.0° |
N09 | C10 | C15 | O27 | 51.8° | 19.8° |
N09 | C10 | C11 | H3 | 56.4° | 54.1° |
N09 | C10 | C11 | H4 | 174.8° | 66.0° |
C15 | C10 | C11 | H1 | 119.4° | 120.1° |
C10 | C15 | N16 | C17 | 178.8° | 174.6° |
C10 | C15 | N16 | O27 | 178.8° | 179.9° |
C15 | C10 | C11 | C12 | 177.3° | 66.0° |
C15 | C10 | C11 | H3 | 61.9° | 174.1° |
C15 | C10 | C11 | H4 | 56.5° | 54.0° |
C15 | C10 | N09 | H35 | 119.8° | 28.1° |
C10 | C15 | N16 | H36 | 1.2° | 5.4° |
C11 | C10 | C15 | N16 | 113.2° | 79.9° |
C10 | C11 | C12 | H3 | 120.8° | 120.0° |
C10 | C11 | C12 | H4 | 120.8° | 120.0° |
C10 | C11 | C12 | C14 | 176.4° | 173.8° |
C11 | C10 | C15 | O27 | 67.9° | 100.2° |
C10 | C11 | H3 | H4 | 117.5° | 120.1° |
C10 | C11 | C12 | H12 | 56.8° | 53.8° |
C11 | C10 | N09 | H35 | 2.1° | 91.9° |
C17 | N16 | C15 | H36 | 180.0° | 180.0° |
N16 | C17 | C25 | H5 | 121.1° | 120.0° |
C17 | N16 | C15 | O27 | 0.0° | 5.3° |
N16 | C17 | C25 | O26 | 176.3° | 54.5° |
N16 | C17 | C25 | H10 | 69.7° | 65.5° |
N16 | C17 | C25 | S1 | 54.7° | 174.5° |
N16 | C17 | C18 | H26 | 176.5° | 53.8° |
N16 | C17 | C18 | H27 | 57.9° | 173.8° |
C15 | N16 | C17 | C25 | 113.8° | 85.0° |
N16 | C15 | C10 | H1 | 6.1° | 40.1° |
C15 | N16 | C17 | H5 | 6.7° | 35.0° |
C11 | C12 | C14 | H12 | 119.8° | 120.0° |
C12 | C11 | C10 | H1 | 58.0° | 54.1° |
C12 | C11 | H3 | H4 | 117.5° | 120.0° |
C11 | C12 | C13 | H20 | 180.0° | 176.2° |
C11 | C12 | C13 | H21 | 60.0° | 56.2° |
C11 | C12 | C13 | H22 | 60.0° | 63.8° |
C11 | C12 | C14 | H23 | 57.0° | 60.0° |
C11 | C12 | C14 | H24 | 63.0° | 180.0° |
C11 | C12 | C14 | H25 | 177.1° | 60.1° |
C14 | C12 | C11 | H3 | 55.6° | 66.2° |
C14 | C12 | C11 | H4 | 62.7° | 53.8° |
C14 | C12 | C13 | H20 | 57.3° | 63.8° |
C14 | C12 | C13 | H21 | 62.7° | 176.3° |
C14 | C12 | C13 | H22 | 177.4° | 56.2° |
C12 | C14 | H23 | H24 | 120.0° | 120.0° |
C12 | C14 | H23 | H25 | 120.0° | 120.0° |
C12 | C14 | H24 | H25 | 120.0° | 120.0° |
C17 | C25 | O26 | H10 | 113.0° | 120.0° |
C17 | C25 | O26 | S1 | 121.6° | 120.1° |
C17 | C25 | H10 | S1 | 123.3° | 120.0° |
C25 | C17 | C18 | H26 | 55.6° | 66.2° |
C25 | C17 | C18 | H27 | 62.9° | 53.7° |
C25 | C17 | N16 | H36 | 66.2° | 95.0° |
C17 | C25 | O26 | H38 | 180.0° | 60.0° |
C17 | C25 | S1 | O2 | 75.2° | 68.9° |
C17 | C25 | S1 | O3 | 75.2° | 179.5° |
C17 | C25 | S1 | O1 | 75.2° | 42.7° |
O27 | C15 | C10 | H1 | 172.7° | 139.8° |
O27 | C15 | N16 | H36 | 180.0° | 174.7° |
O26 | C25 | C17 | H5 | 62.6° | 65.6° |
O26 | C25 | H10 | S1 | 124.4° | 120.0° |
O26 | C25 | S1 | O2 | 42.4° | 171.0° |
O26 | C25 | S1 | O3 | 42.4° | 59.4° |
O26 | C25 | S1 | O1 | 42.4° | 77.3° |
H1 | C10 | C11 | H3 | 178.7° | 65.9° |
H1 | C10 | C11 | H4 | 62.9° | 174.1° |
H1 | C10 | N09 | H35 | 119.8° | 148.2° |
H2 | C33 | C32 | H31 | 1.0° | 0.0° |
H2 | C33 | C34 | H32 | 0.3° | 0.0° |
H3 | C11 | C12 | H12 | 64.0° | 173.8° |
H4 | C11 | C12 | H12 | 177.7° | 66.2° |
H5 | C17 | C25 | H10 | 51.4° | 174.5° |
H5 | C17 | C25 | S1 | 175.8° | 54.5° |
H5 | C17 | C18 | H26 | 63.7° | 173.8° |
H5 | C17 | C18 | H27 | 177.7° | 66.2° |
H5 | C17 | N16 | H36 | 173.3° | 145.0° |
H6 | C22 | C23 | H8 | 143.2° | 148.3° |
H6 | C22 | C23 | H9 | 22.0° | 24.6° |
H6 | C22 | N21 | H37 | 74.5° | 78.1° |
H7 | C22 | C23 | H8 | 21.3° | 26.4° |
H7 | C22 | C23 | H9 | 99.8° | 97.3° |
H7 | C22 | N21 | H37 | 47.4° | 43.9° |
H8 | C23 | C19 | H28 | 145.0° | 25.4° |
H9 | C23 | C19 | H28 | 23.9° | 98.3° |
H10 | C25 | O26 | H38 | 67.0° | 60.0° |
H10 | C25 | S1 | O2 | 164.6° | 51.1° |
H10 | C25 | S1 | O3 | 164.6° | 60.6° |
H10 | C25 | S1 | O1 | 164.6° | 162.7° |
S1 | C25 | O26 | H38 | 58.4° | 180.0° |
C25 | S1 | O2 | O3 | 90.0° | 116.1° |
C25 | S1 | O2 | O1 | 90.0° | 116.0° |
C25 | S1 | O3 | O1 | 90.0° | 131.5° |
C25 | S1 | O2 | H11 | 90.0° | 179.9° |
H12 | C12 | C13 | H20 | 59.7° | 56.2° |
H12 | C12 | C13 | H21 | 179.7° | 63.7° |
H12 | C12 | C13 | H22 | 60.3° | 176.2° |
H12 | C12 | C14 | H23 | 62.8° | 60.0° |
H12 | C12 | C14 | H24 | 177.2° | 60.0° |
H12 | C12 | C14 | H25 | 57.3° | 180.0° |
H13 | C03 | C04 | H15 | 17.5° | 25.4° |
H13 | C03 | C04 | H16 | 103.7° | 98.3° |
H14 | C03 | C04 | H15 | 138.6° | 148.0° |
H14 | C03 | C04 | H16 | 17.4° | 24.3° |
H15 | C04 | C05 | H17 | 19.1° | 26.3° |
H16 | C04 | C05 | H17 | 102.0° | 97.4° |
H17 | C05 | C06 | H18 | 69.0° | 64.5° |
H17 | C05 | C06 | H19 | 172.1° | 55.4° |
H20 | C13 | H21 | H22 | 120.0° | 120.1° |
H23 | C14 | H24 | H25 | 120.0° | 120.0° |
H26 | C18 | C19 | H28 | 175.3° | 176.1° |
H27 | C18 | C19 | H28 | 66.1° | 63.9° |
H32 | C34 | C35 | H33 | 0.1° | 0.1° |
H33 | C35 | C36 | H34 | 0.0° | 0.1° |
O2 | S1 | O3 | O1 | 90.0° | 116.8° |
O3 | S1 | O2 | H11 | 90.0° | 64.0° |
O1 | S1 | O2 | H11 | 90.0° | 63.9° |