A1AGZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C12 | sing | 1.53Å | 1.52Å | |
C34 | C35 | sing | 1.53Å | 1.51Å | |
C34 | C33 | sing | 1.53Å | 1.52Å | |
O27 | C15 | doub | 1.21Å | 1.23Å | |
C11 | C12 | sing | 1.53Å | 1.53Å | |
C11 | C10 | sing | 1.53Å | 1.53Å | |
C35 | C36 | sing | 1.53Å | 1.53Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
O26 | C25 | sing | 1.43Å | 1.41Å | |
C33 | C32 | sing | 1.53Å | 1.53Å | |
C25 | C17 | sing | 1.53Å | 1.52Å | |
C15 | C10 | sing | 1.51Å | 1.53Å | |
C15 | N16 | sing | 1.35Å | 1.34Å | |
C36 | C31 | sing | 1.53Å | 1.52Å | |
C10 | N09 | sing | 1.47Å | 1.45Å | |
C17 | N16 | sing | 1.47Å | 1.46Å | |
C17 | C18 | sing | 1.53Å | 1.53Å | |
C32 | C31 | sing | 1.53Å | 1.52Å | |
N09 | C08 | sing | 1.35Å | 1.34Å | |
C23 | C22 | sing | 1.54Å | 1.52Å | |
C23 | C19 | sing | 1.55Å | 1.52Å | |
C31 | C30 | sing | 1.53Å | 1.52Å | |
O07 | C08 | sing | 1.35Å | 1.35Å | |
O07 | C06 | sing | 1.45Å | 1.44Å | |
C08 | O28 | doub | 1.22Å | 1.21Å | |
C06 | C05 | sing | 1.53Å | 1.52Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C30 | N29 | sing | 1.47Å | 1.46Å | |
C22 | N21 | sing | 1.47Å | 1.46Å | |
C19 | C20 | sing | 1.51Å | 1.52Å | |
C05 | N29 | sing | 1.47Å | 1.47Å | |
C05 | C04 | sing | 1.54Å | 1.53Å | |
N29 | C02 | sing | 1.34Å | 1.33Å | |
C04 | C03 | sing | 1.55Å | 1.53Å | |
N21 | C20 | sing | 1.34Å | 1.33Å | |
C20 | O24 | doub | 1.21Å | 1.24Å | |
C02 | C03 | sing | 1.51Å | 1.50Å | |
C02 | O01 | doub | 1.21Å | 1.23Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C03 | H2 | sing | 1.09Å | 1.10Å | |
C03 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C06 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C13 | 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 | |
C14 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H19 | sing | 1.09Å | 1.10Å | |
C18 | H20 | sing | 1.09Å | 1.10Å | |
C19 | H21 | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H24 | sing | 1.09Å | 1.10Å | |
C23 | H25 | sing | 1.09Å | 1.10Å | |
C25 | S1 | sing | 1.81Å | 1.07Å | |
C25 | H27 | sing | 1.09Å | 1.10Å | |
C30 | H28 | sing | 1.09Å | 1.10Å | |
C30 | H29 | sing | 1.09Å | 1.10Å | |
C31 | H30 | sing | 1.09Å | 1.10Å | |
C32 | H31 | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C33 | H34 | sing | 1.09Å | 1.10Å | |
C34 | H35 | sing | 1.09Å | 1.10Å | |
C34 | H36 | sing | 1.09Å | 1.10Å | |
C35 | H37 | sing | 1.09Å | 1.10Å | |
C35 | H38 | sing | 1.09Å | 1.10Å | |
C36 | H39 | sing | 1.09Å | 1.10Å | |
C36 | H40 | sing | 1.09Å | 1.10Å | |
N09 | H41 | sing | 0.97Å | 1.00Å | |
N16 | H42 | sing | 0.97Å | 1.00Å | |
N21 | H43 | sing | 0.97Å | 1.00Å | |
O26 | H44 | sing | 0.97Å | 0.95Å | |
S1 | O1 | doub | 1.42Å | 16.63Å | |
S1 | O3 | doub | 1.42Å | 16.63Å | |
S1 | O2 | sing | 1.52Å | 16.63Å | |
O2 | H26 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C12 | C11 | 110.7° | 109.5° |
C14 | C12 | C13 | 110.3° | 109.4° |
C14 | C12 | H11 | 108.3° | 109.5° |
C12 | C14 | H15 | 109.5° | 109.4° |
C12 | C14 | H16 | 109.5° | 109.5° |
C12 | C14 | H17 | 109.5° | 109.5° |
C35 | C34 | C33 | 110.6° | 109.5° |
C34 | C35 | C36 | 111.1° | 109.5° |
C35 | C34 | H35 | 109.2° | 109.5° |
C35 | C34 | H36 | 109.2° | 109.5° |
C34 | C35 | H37 | 109.0° | 109.5° |
C34 | C35 | H38 | 109.1° | 109.5° |
C34 | C33 | C32 | 111.0° | 109.5° |
C34 | C33 | H33 | 109.1° | 109.5° |
C34 | C33 | H34 | 109.1° | 109.5° |
C33 | C34 | H35 | 109.2° | 109.4° |
C33 | C34 | H36 | 109.2° | 109.4° |
O27 | C15 | C10 | 120.6° | 120.0° |
O27 | C15 | N16 | 122.7° | 120.0° |
C12 | C11 | C10 | 115.1° | 109.5° |
C11 | C12 | C13 | 110.8° | 109.5° |
C12 | C11 | H9 | 108.1° | 109.5° |
C12 | C11 | H10 | 108.0° | 109.5° |
C11 | C12 | H11 | 108.3° | 109.5° |
C11 | C10 | C15 | 110.6° | 109.5° |
C11 | C10 | N09 | 110.2° | 109.5° |
C11 | C10 | H1 | 107.5° | 109.5° |
C10 | C11 | H9 | 108.0° | 109.4° |
C10 | C11 | H10 | 108.1° | 109.5° |
C35 | C36 | C31 | 111.4° | 109.5° |
C36 | C35 | H37 | 109.1° | 109.4° |
C36 | C35 | H38 | 109.1° | 109.4° |
C35 | C36 | H39 | 109.0° | 109.5° |
C35 | C36 | H40 | 109.0° | 109.5° |
C13 | C12 | H11 | 108.3° | 109.5° |
C12 | C13 | H12 | 109.5° | 109.5° |
C12 | C13 | H13 | 109.4° | 109.5° |
C12 | C13 | H14 | 109.5° | 109.4° |
O26 | C25 | C17 | 108.9° | 109.5° |
O26 | C25 | S1 | 110.4° | 109.5° |
O26 | C25 | H27 | 107.5° | 109.5° |
C25 | O26 | H44 | 109.5° | 114.0° |
C33 | C32 | C31 | 111.4° | 109.5° |
C33 | C32 | H31 | 109.0° | 109.4° |
C33 | C32 | H32 | 109.0° | 109.5° |
C32 | C33 | H33 | 109.1° | 109.5° |
C32 | C33 | H34 | 109.1° | 109.4° |
C25 | C17 | N16 | 110.4° | 109.5° |
C25 | C17 | C18 | 111.0° | 109.5° |
C25 | C17 | H18 | 108.2° | 109.5° |
C17 | C25 | S1 | 110.4° | 109.4° |
C17 | C25 | H27 | 106.3° | 109.4° |
C10 | C15 | N16 | 116.7° | 120.0° |
C15 | C10 | N09 | 112.4° | 109.4° |
C15 | C10 | H1 | 107.5° | 109.5° |
C15 | N16 | C17 | 122.9° | 120.0° |
C15 | N16 | H42 | 118.6° | 120.0° |
C36 | C31 | C32 | 110.1° | 109.5° |
C36 | C31 | C30 | 111.2° | 109.5° |
C36 | C31 | H30 | 108.0° | 109.5° |
C31 | C36 | H39 | 109.0° | 109.5° |
C31 | C36 | H40 | 109.0° | 109.4° |
C10 | N09 | C08 | 120.9° | 120.0° |
N09 | C10 | H1 | 108.4° | 109.5° |
C10 | N09 | H41 | 119.6° | 119.9° |
N16 | C17 | C18 | 110.2° | 109.5° |
N16 | C17 | H18 | 109.0° | 109.5° |
C17 | N16 | H42 | 118.6° | 120.0° |
C17 | C18 | C19 | 111.8° | 109.5° |
C18 | C17 | H18 | 108.1° | 109.5° |
C17 | C18 | H19 | 108.9° | 109.5° |
C17 | C18 | H20 | 108.9° | 109.5° |
C32 | C31 | C30 | 111.3° | 109.5° |
C32 | C31 | H30 | 108.0° | 109.5° |
C31 | C32 | H31 | 109.0° | 109.5° |
C31 | C32 | H32 | 109.0° | 109.5° |
N09 | C08 | O07 | 110.1° | 120.0° |
N09 | C08 | O28 | 125.2° | 120.0° |
C08 | N09 | H41 | 119.5° | 120.0° |
C22 | C23 | C19 | 103.6° | 101.8° |
C23 | C22 | N21 | 101.9° | 105.5° |
C23 | C22 | H22 | 111.3° | 110.3° |
C23 | C22 | H23 | 111.3° | 110.3° |
C22 | C23 | H24 | 110.9° | 111.0° |
C22 | C23 | H25 | 110.9° | 111.0° |
C23 | C19 | C18 | 115.6° | 110.5° |
C23 | C19 | C20 | 103.2° | 104.2° |
C23 | C19 | H21 | 108.0° | 110.6° |
C19 | C23 | H24 | 110.9° | 110.9° |
C19 | C23 | H25 | 110.9° | 111.0° |
C31 | C30 | N29 | 113.4° | 109.5° |
C31 | C30 | H28 | 108.5° | 109.5° |
C31 | C30 | H29 | 108.5° | 109.5° |
C30 | C31 | H30 | 108.0° | 109.4° |
C08 | O07 | C06 | 117.1° | 117.0° |
O07 | C08 | O28 | 124.7° | 120.0° |
O07 | C06 | C05 | 109.1° | 109.5° |
O07 | C06 | H7 | 109.5° | 109.5° |
O07 | C06 | H8 | 109.6° | 109.5° |
C06 | C05 | N29 | 118.1° | 110.2° |
C06 | C05 | C04 | 113.4° | 110.5° |
C06 | C05 | H6 | 108.3° | 110.3° |
C05 | C06 | H7 | 109.6° | 109.4° |
C05 | C06 | H8 | 109.6° | 109.4° |
C18 | C19 | C20 | 113.7° | 110.5° |
C19 | C18 | H19 | 108.9° | 109.4° |
C19 | C18 | H20 | 108.9° | 109.4° |
C18 | C19 | H21 | 107.9° | 110.4° |
C30 | N29 | C05 | 123.4° | 124.3° |
C30 | N29 | C02 | 125.0° | 124.4° |
N29 | C30 | H28 | 108.5° | 109.5° |
N29 | C30 | H29 | 108.5° | 109.4° |
C22 | N21 | C20 | 112.9° | 111.3° |
N21 | C22 | H22 | 111.3° | 110.3° |
N21 | C22 | H23 | 111.3° | 110.2° |
C22 | N21 | H43 | 123.6° | 124.3° |
C19 | C20 | N21 | 108.6° | 110.1° |
C19 | C20 | O24 | 125.7° | 124.9° |
C20 | C19 | H21 | 108.0° | 110.5° |
N29 | C05 | C04 | 99.4° | 105.6° |
C05 | N29 | C02 | 111.6° | 111.3° |
N29 | C05 | H6 | 108.9° | 110.3° |
C05 | C04 | C03 | 102.1° | 101.7° |
C05 | C04 | H4 | 111.3° | 111.0° |
C05 | C04 | H5 | 111.3° | 111.0° |
C04 | C05 | H6 | 108.1° | 109.9° |
N29 | C02 | C03 | 107.7° | 110.1° |
N29 | C02 | O01 | 125.4° | 124.9° |
C04 | C03 | C02 | 103.5° | 104.2° |
C04 | C03 | H2 | 110.9° | 110.5° |
C04 | C03 | H3 | 111.0° | 110.6° |
C03 | C04 | H4 | 111.3° | 111.0° |
C03 | C04 | H5 | 111.3° | 111.0° |
N21 | C20 | O24 | 125.7° | 125.0° |
C20 | N21 | H43 | 123.5° | 124.4° |
C03 | C02 | O01 | 126.9° | 124.9° |
C02 | C03 | H2 | 110.9° | 110.5° |
C02 | C03 | H3 | 110.9° | 110.5° |
H2 | C03 | H3 | 109.5° | 110.4° |
H4 | C04 | H5 | 109.5° | 110.9° |
H7 | C06 | H8 | 109.5° | 109.5° |
H9 | C11 | H10 | 109.5° | 109.5° |
H12 | C13 | H13 | 109.5° | 109.5° |
H12 | C13 | H14 | 109.5° | 109.5° |
H13 | C13 | H14 | 109.5° | 109.4° |
H15 | C14 | H16 | 109.5° | 109.4° |
H15 | C14 | H17 | 109.5° | 109.5° |
H16 | C14 | H17 | 109.5° | 109.6° |
H19 | C18 | H20 | 109.5° | 109.5° |
H22 | C22 | H23 | 109.5° | 110.2° |
H24 | C23 | H25 | 109.5° | 110.8° |
S1 | C25 | H27 | 113.3° | 109.5° |
C25 | S1 | O1 | 71.1° | 110.6° |
C25 | S1 | O3 | 71.1° | 110.6° |
C25 | S1 | O2 | 71.1° | 104.4° |
H28 | C30 | H29 | 109.5° | 109.5° |
H31 | C32 | H32 | 109.5° | 109.5° |
H33 | C33 | H34 | 109.5° | 109.5° |
H35 | C34 | H36 | 109.5° | 109.5° |
H37 | C35 | H38 | 109.5° | 109.5° |
H39 | C36 | H40 | 109.5° | 109.4° |
O1 | S1 | O3 | 0.0° | 121.0° |
O1 | S1 | O2 | 0.0° | 104.2° |
O3 | S1 | O2 | 0.0° | 104.3° |
S1 | O2 | H26 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C12 | C11 | C13 | 122.7° | 120.0° |
C14 | C12 | C11 | H11 | 118.6° | 120.0° |
C14 | C12 | C11 | C10 | 177.2° | 173.9° |
C14 | C12 | C13 | H11 | 118.4° | 120.0° |
C14 | C12 | C11 | H9 | 62.0° | 66.1° |
C14 | C12 | C11 | H10 | 56.4° | 53.9° |
C14 | C12 | C13 | H12 | 180.0° | 58.6° |
C14 | C12 | C13 | H13 | 60.0° | 61.4° |
C14 | C12 | C13 | H14 | 60.0° | 178.6° |
C12 | C14 | H15 | H16 | 120.0° | 119.9° |
C12 | C14 | H15 | H17 | 120.0° | 120.0° |
C12 | C14 | H16 | H17 | 120.0° | 120.0° |
C35 | C34 | C33 | H35 | 120.2° | 120.0° |
C35 | C34 | C33 | H36 | 120.2° | 120.0° |
C34 | C35 | C36 | H37 | 120.2° | 120.0° |
C34 | C35 | C36 | H38 | 120.3° | 120.0° |
C35 | C34 | C33 | C32 | 56.2° | 60.0° |
C34 | C35 | C36 | C31 | 56.4° | 60.0° |
C35 | C34 | C33 | H33 | 64.0° | 180.0° |
C35 | C34 | C33 | H34 | 176.4° | 60.0° |
C35 | C34 | H35 | H36 | 119.5° | 120.1° |
C34 | C35 | H37 | H38 | 119.2° | 120.1° |
C34 | C35 | C36 | H39 | 63.9° | 180.0° |
C34 | C35 | C36 | H40 | 176.7° | 60.0° |
C33 | C34 | C35 | C36 | 56.1° | 60.0° |
C34 | C33 | C32 | H33 | 120.2° | 120.0° |
C34 | C33 | C32 | H34 | 120.2° | 120.0° |
C34 | C33 | C32 | C31 | 56.6° | 60.0° |
C34 | C33 | C32 | H31 | 176.9° | 60.0° |
C34 | C33 | C32 | H32 | 63.7° | 180.0° |
C34 | C33 | H33 | H34 | 119.3° | 120.0° |
C33 | C34 | H35 | H36 | 119.5° | 119.9° |
C33 | C34 | C35 | H37 | 176.4° | 180.0° |
C33 | C34 | C35 | H38 | 64.1° | 60.0° |
O27 | C15 | C10 | C11 | 76.3° | 104.5° |
O27 | C15 | C10 | N16 | 179.1° | 179.9° |
O27 | C15 | C10 | N09 | 47.3° | 15.6° |
O27 | C15 | N16 | C17 | 2.0° | 6.1° |
O27 | C15 | C10 | H1 | 166.6° | 135.5° |
O27 | C15 | N16 | H42 | 177.9° | 173.9° |
C12 | C11 | C10 | H9 | 120.8° | 120.1° |
C12 | C11 | C10 | H10 | 120.8° | 120.0° |
C11 | C12 | C13 | H11 | 118.7° | 120.0° |
C12 | C11 | C10 | C15 | 173.7° | 69.7° |
C12 | C11 | C10 | N09 | 61.4° | 170.3° |
C12 | C11 | C10 | H1 | 56.6° | 50.3° |
C12 | C11 | H9 | H10 | 117.4° | 120.0° |
C11 | C12 | C13 | H12 | 57.0° | 61.4° |
C11 | C12 | C13 | H13 | 177.1° | 178.6° |
C11 | C12 | C13 | H14 | 63.0° | 58.6° |
C11 | C12 | C14 | H15 | 180.0° | 60.1° |
C11 | C12 | C14 | H16 | 60.0° | 180.0° |
C11 | C12 | C14 | H17 | 60.0° | 59.9° |
C10 | C11 | C12 | C13 | 60.1° | 66.2° |
C11 | C10 | C15 | N09 | 123.6° | 120.0° |
C11 | C10 | C15 | H1 | 117.1° | 120.0° |
C11 | C10 | C15 | N16 | 104.6° | 75.5° |
C11 | C10 | N09 | H1 | 117.4° | 120.0° |
C11 | C10 | N09 | C08 | 175.1° | 86.8° |
C10 | C11 | H9 | H10 | 117.5° | 119.9° |
C10 | C11 | C12 | H11 | 58.6° | 53.8° |
C11 | C10 | N09 | H41 | 4.9° | 93.1° |
C35 | C36 | C31 | H39 | 120.3° | 120.1° |
C35 | C36 | C31 | H40 | 120.3° | 120.0° |
C35 | C36 | C31 | C32 | 55.8° | 60.0° |
C35 | C36 | C31 | C30 | 179.6° | 180.0° |
C35 | C36 | C31 | H30 | 62.0° | 60.0° |
C36 | C35 | C34 | H35 | 176.3° | 60.0° |
C36 | C35 | C34 | H36 | 64.0° | 180.0° |
C36 | C35 | H37 | H38 | 119.2° | 119.9° |
C35 | C36 | H39 | H40 | 119.1° | 120.0° |
C13 | C12 | C11 | H9 | 60.7° | 53.8° |
C13 | C12 | C11 | H10 | 179.1° | 173.8° |
C12 | C13 | H12 | H13 | 120.0° | 120.1° |
C12 | C13 | H12 | H14 | 120.0° | 119.9° |
C12 | C13 | H13 | H14 | 120.0° | 120.0° |
C13 | C12 | C14 | H15 | 57.0° | 180.0° |
C13 | C12 | C14 | H16 | 177.0° | 60.1° |
C13 | C12 | C14 | H17 | 63.0° | 60.1° |
O26 | C25 | C17 | S1 | 121.3° | 120.0° |
O26 | C25 | C17 | H27 | 115.5° | 120.0° |
O26 | C25 | C17 | N16 | 178.5° | 175.0° |
O26 | C25 | C17 | C18 | 59.1° | 55.0° |
O26 | C25 | C17 | H18 | 59.4° | 65.0° |
O26 | C25 | S1 | H27 | 120.6° | 120.1° |
O26 | C25 | S1 | O1 | 145.5° | 56.6° |
O26 | C25 | S1 | O3 | 145.5° | 166.6° |
O26 | C25 | S1 | O2 | 145.5° | 55.0° |
C33 | C32 | C31 | C36 | 55.9° | 60.0° |
C33 | C32 | C31 | H31 | 120.3° | 120.0° |
C33 | C32 | C31 | H32 | 120.3° | 120.0° |
C33 | C32 | C31 | C30 | 179.8° | 180.0° |
C33 | C32 | C31 | H30 | 61.8° | 60.0° |
C33 | C32 | H31 | H32 | 119.1° | 120.0° |
C32 | C33 | H33 | H34 | 119.3° | 120.0° |
C32 | C33 | C34 | H35 | 176.4° | 60.0° |
C32 | C33 | C34 | H36 | 63.9° | 180.0° |
C25 | C17 | N16 | C15 | 117.3° | 85.0° |
C25 | C17 | N16 | C18 | 122.9° | 120.0° |
C25 | C17 | N16 | H18 | 118.7° | 120.0° |
C25 | C17 | C18 | H18 | 118.5° | 120.0° |
C25 | C17 | C18 | C19 | 170.7° | 175.0° |
C25 | C17 | C18 | H19 | 68.9° | 65.0° |
C25 | C17 | C18 | H20 | 50.4° | 55.0° |
C17 | C25 | S1 | H27 | 119.0° | 119.9° |
C25 | C17 | N16 | H42 | 62.7° | 95.0° |
C17 | C25 | O26 | H44 | 180.0° | 60.0° |
C17 | C25 | S1 | O1 | 25.1° | 63.4° |
C17 | C25 | S1 | O3 | 25.1° | 73.4° |
C17 | C25 | S1 | O2 | 25.1° | 175.0° |
C15 | C10 | N09 | H1 | 118.7° | 120.0° |
C10 | C15 | N16 | C17 | 178.9° | 174.0° |
C15 | C10 | N09 | C08 | 51.2° | 153.2° |
C15 | C10 | C11 | H9 | 52.9° | 170.2° |
C15 | C10 | C11 | H10 | 65.5° | 50.3° |
C15 | C10 | N09 | H41 | 128.8° | 26.9° |
C10 | C15 | N16 | H42 | 1.1° | 6.0° |
N16 | C15 | C10 | N09 | 131.7° | 164.5° |
C15 | N16 | C17 | H42 | 180.0° | 179.9° |
C15 | N16 | C17 | C18 | 119.8° | 155.0° |
N16 | C15 | C10 | H1 | 12.5° | 44.5° |
C15 | N16 | C17 | H18 | 1.4° | 35.0° |
C36 | C31 | C32 | C30 | 123.8° | 120.1° |
C36 | C31 | C32 | H30 | 117.7° | 120.0° |
C36 | C31 | C30 | H30 | 118.4° | 120.0° |
C36 | C31 | C30 | N29 | 63.5° | 65.0° |
C36 | C31 | C30 | H28 | 175.9° | 175.0° |
C36 | C31 | C30 | H29 | 57.1° | 55.0° |
C36 | C31 | C32 | H31 | 176.2° | 60.0° |
C36 | C31 | C32 | H32 | 64.3° | 180.0° |
C31 | C36 | C35 | H37 | 176.6° | 180.0° |
C31 | C36 | C35 | H38 | 63.9° | 60.1° |
C31 | C36 | H39 | H40 | 119.1° | 119.9° |
C10 | N09 | C08 | H41 | 180.0° | 179.9° |
C10 | N09 | C08 | O07 | 167.0° | 175.5° |
C10 | N09 | C08 | O28 | 15.5° | 4.5° |
N09 | C10 | C11 | H9 | 177.8° | 50.2° |
N09 | C10 | C11 | H10 | 59.4° | 69.7° |
N16 | C17 | C18 | H18 | 119.0° | 120.0° |
N16 | C17 | C18 | C19 | 66.7° | 65.0° |
N16 | C17 | C18 | H19 | 53.6° | 55.0° |
N16 | C17 | C18 | H20 | 172.9° | 175.0° |
N16 | C17 | C25 | S1 | 60.2° | 55.0° |
N16 | C17 | C25 | H27 | 63.0° | 65.0° |
C17 | C18 | C19 | C23 | 62.9° | 178.8° |
C17 | C18 | C19 | H19 | 120.3° | 120.0° |
C17 | C18 | C19 | H20 | 120.4° | 120.0° |
C17 | C18 | C19 | C20 | 177.9° | 66.5° |
C17 | C18 | H19 | H20 | 118.9° | 120.0° |
C17 | C18 | C19 | H21 | 58.1° | 56.1° |
C18 | C17 | C25 | S1 | 62.2° | 65.0° |
C18 | C17 | C25 | H27 | 174.5° | 175.0° |
C18 | C17 | N16 | H42 | 60.2° | 25.0° |
C32 | C31 | C30 | H30 | 118.4° | 120.0° |
C32 | C31 | C30 | N29 | 173.4° | 175.0° |
C32 | C31 | C30 | H28 | 52.8° | 55.0° |
C32 | C31 | C30 | H29 | 66.0° | 65.1° |
C31 | C32 | H31 | H32 | 119.2° | 120.0° |
C31 | C32 | C33 | H33 | 63.6° | 180.0° |
C31 | C32 | C33 | H34 | 176.8° | 60.0° |
C32 | C31 | C36 | H39 | 64.5° | 180.0° |
C32 | C31 | C36 | H40 | 176.1° | 60.1° |
N09 | C08 | O07 | O28 | 177.5° | 179.9° |
N09 | C08 | O07 | C06 | 145.9° | 180.0° |
C08 | N09 | C10 | H1 | 67.5° | 33.2° |
C22 | C23 | C19 | H24 | 119.1° | 118.2° |
C22 | C23 | C19 | H25 | 119.0° | 118.2° |
C22 | C23 | C19 | C18 | 150.6° | 93.8° |
C23 | C22 | N21 | H22 | 118.8° | 119.0° |
C23 | C22 | N21 | H23 | 118.8° | 119.1° |
C22 | C23 | C19 | C20 | 25.7° | 24.8° |
C23 | C22 | N21 | C20 | 25.9° | 17.0° |
C22 | C23 | C19 | H21 | 88.5° | 143.5° |
C23 | C22 | H22 | H23 | 123.5° | 122.0° |
C22 | C23 | H24 | H25 | 122.7° | 123.8° |
C23 | C22 | N21 | H43 | 154.1° | 163.0° |
C23 | C19 | C18 | C20 | 119.2° | 114.7° |
C23 | C19 | C18 | H21 | 121.0° | 122.7° |
C19 | C23 | C22 | N21 | 30.6° | 25.4° |
C23 | C19 | C20 | H21 | 114.2° | 118.8° |
C23 | C19 | C20 | N21 | 10.9° | 16.2° |
C23 | C19 | C20 | O24 | 170.8° | 163.7° |
C23 | C19 | C18 | H19 | 176.8° | 61.2° |
C23 | C19 | C18 | H20 | 57.5° | 58.8° |
C19 | C23 | C22 | H22 | 149.4° | 93.6° |
C19 | C23 | C22 | H23 | 88.1° | 144.5° |
C19 | C23 | H24 | H25 | 122.7° | 123.8° |
C31 | C30 | N29 | H28 | 120.6° | 120.1° |
C31 | C30 | N29 | H29 | 120.6° | 120.0° |
C31 | C30 | N29 | C05 | 129.9° | 90.0° |
C31 | C30 | N29 | C02 | 52.4° | 90.4° |
C31 | C30 | H28 | H29 | 118.2° | 120.0° |
C30 | C31 | C32 | H31 | 60.0° | 60.1° |
C30 | C31 | C32 | H32 | 59.5° | 59.9° |
C30 | C31 | C36 | H39 | 59.3° | 59.9° |
C30 | C31 | C36 | H40 | 60.1° | 60.0° |
C08 | O07 | C06 | C05 | 111.3° | 180.0° |
C08 | O07 | C06 | H7 | 8.7° | 60.0° |
C08 | O07 | C06 | H8 | 128.8° | 60.1° |
O07 | C08 | N09 | H41 | 13.0° | 4.6° |
C06 | O07 | C08 | O28 | 36.6° | 0.0° |
O07 | C06 | C05 | H7 | 119.9° | 120.0° |
O07 | C06 | C05 | H8 | 119.9° | 120.0° |
O07 | C06 | C05 | N29 | 62.9° | 65.0° |
O07 | C06 | C05 | C04 | 178.6° | 51.3° |
O07 | C06 | C05 | H6 | 61.4° | 173.0° |
O07 | C06 | H7 | H8 | 120.2° | 120.1° |
O28 | C08 | N09 | H41 | 164.5° | 175.4° |
C06 | C05 | N29 | C30 | 22.4° | 43.6° |
C06 | C05 | N29 | C04 | 123.0° | 119.4° |
C06 | C05 | N29 | H6 | 124.0° | 122.0° |
C06 | C05 | C04 | H6 | 120.1° | 121.9° |
C06 | C05 | N29 | C02 | 159.6° | 136.0° |
C06 | C05 | C04 | C03 | 164.1° | 144.4° |
C06 | C05 | C04 | H4 | 77.2° | 26.3° |
C06 | C05 | C04 | H5 | 45.3° | 97.5° |
C05 | C06 | H7 | H8 | 120.2° | 119.9° |
C18 | C19 | C20 | H21 | 119.7° | 122.5° |
C18 | C19 | C20 | N21 | 137.0° | 102.4° |
C18 | C19 | C20 | O24 | 44.7° | 77.6° |
C19 | C18 | C17 | H18 | 52.2° | 55.0° |
C19 | C18 | H19 | H20 | 118.9° | 120.0° |
C18 | C19 | C23 | H24 | 90.4° | 24.3° |
C18 | C19 | C23 | H25 | 31.5° | 148.0° |
C30 | N29 | C05 | C02 | 178.0° | 179.7° |
C30 | N29 | C05 | C04 | 145.5° | 163.0° |
C30 | N29 | C02 | C03 | 163.1° | 179.6° |
C30 | N29 | C02 | O01 | 17.8° | 0.6° |
C30 | N29 | C05 | H6 | 101.5° | 78.3° |
N29 | C30 | H28 | H29 | 118.2° | 119.9° |
N29 | C30 | C31 | H30 | 54.9° | 55.0° |
C22 | N21 | C20 | C19 | 9.6° | 0.4° |
C22 | N21 | C20 | H43 | 180.0° | 180.0° |
C22 | N21 | C20 | O24 | 168.7° | 179.6° |
N21 | C22 | H22 | H23 | 123.5° | 121.9° |
N21 | C22 | C23 | H24 | 149.7° | 143.6° |
N21 | C22 | C23 | H25 | 88.4° | 92.7° |
C19 | C20 | N21 | O24 | 178.3° | 179.9° |
C20 | C19 | C18 | H19 | 57.6° | 53.5° |
C20 | C19 | C18 | H20 | 61.7° | 173.5° |
C20 | C19 | C23 | H24 | 144.8° | 143.0° |
C20 | C19 | C23 | H25 | 93.3° | 93.4° |
C19 | C20 | N21 | H43 | 170.4° | 179.6° |
N29 | C05 | C04 | H6 | 113.6° | 118.9° |
N29 | C05 | C04 | C03 | 37.7° | 25.2° |
C05 | N29 | C02 | C03 | 18.9° | 0.0° |
C05 | N29 | C02 | O01 | 160.2° | 179.7° |
N29 | C05 | C04 | H4 | 156.5° | 92.9° |
N29 | C05 | C04 | H5 | 81.1° | 143.4° |
N29 | C05 | C06 | H7 | 177.1° | 175.0° |
N29 | C05 | C06 | H8 | 57.0° | 55.0° |
C05 | N29 | C30 | H28 | 109.5° | 30.0° |
C05 | N29 | C30 | H29 | 9.3° | 150.0° |
C04 | C05 | N29 | C02 | 36.5° | 16.7° |
C05 | C04 | C03 | H4 | 118.8° | 118.1° |
C05 | C04 | C03 | H5 | 118.8° | 118.2° |
C05 | C04 | C03 | C02 | 28.5° | 24.8° |
C05 | C04 | C03 | H2 | 90.5° | 143.5° |
C05 | C04 | C03 | H3 | 147.6° | 94.0° |
C05 | C04 | H4 | H5 | 123.5° | 123.9° |
C04 | C05 | C06 | H7 | 61.5° | 68.7° |
C04 | C05 | C06 | H8 | 58.6° | 171.3° |
N29 | C02 | C03 | C04 | 7.3° | 16.5° |
N29 | C02 | C03 | O01 | 179.0° | 179.8° |
N29 | C02 | C03 | H2 | 111.8° | 135.1° |
N29 | C02 | C03 | H3 | 126.3° | 102.4° |
C02 | N29 | C05 | H6 | 76.5° | 102.0° |
C02 | N29 | C30 | H28 | 68.2° | 149.6° |
C02 | N29 | C30 | H29 | 172.9° | 29.6° |
C04 | C03 | C02 | H2 | 119.1° | 118.7° |
C04 | C03 | C02 | H3 | 119.1° | 118.8° |
C04 | C03 | C02 | O01 | 173.7° | 163.8° |
C04 | C03 | H2 | H3 | 122.8° | 122.6° |
C03 | C04 | H4 | H5 | 123.4° | 123.8° |
C03 | C04 | C05 | H6 | 75.8° | 93.7° |
N21 | C20 | C19 | H21 | 103.3° | 135.1° |
C20 | N21 | C22 | H22 | 144.7° | 102.0° |
C20 | N21 | C22 | H23 | 92.8° | 136.1° |
O24 | C20 | C19 | H21 | 75.0° | 44.9° |
O24 | C20 | N21 | H43 | 11.3° | 0.4° |
C02 | C03 | H2 | H3 | 122.7° | 122.6° |
C02 | C03 | C04 | H4 | 147.3° | 93.3° |
C02 | C03 | C04 | H5 | 90.3° | 143.0° |
O01 | C02 | C03 | H2 | 67.3° | 45.1° |
O01 | C02 | C03 | H3 | 54.6° | 77.4° |
H1 | C10 | C11 | H9 | 64.2° | 69.8° |
H1 | C10 | C11 | H10 | 177.4° | 170.2° |
H1 | C10 | N09 | H41 | 112.5° | 146.9° |
H2 | C03 | C04 | H4 | 28.3° | 25.4° |
H2 | C03 | C04 | H5 | 150.7° | 98.4° |
H3 | C03 | C04 | H4 | 93.7° | 147.9° |
H3 | C03 | C04 | H5 | 28.7° | 24.2° |
H4 | C04 | C05 | H6 | 42.9° | 148.2° |
H5 | C04 | C05 | H6 | 165.4° | 24.4° |
H6 | C05 | C06 | H7 | 58.5° | 53.0° |
H6 | C05 | C06 | H8 | 178.7° | 67.0° |
H9 | C11 | C12 | H11 | 179.4° | 173.8° |
H10 | C11 | C12 | H11 | 62.2° | 66.1° |
H11 | C12 | C13 | H12 | 61.6° | 178.6° |
H11 | C12 | C13 | H13 | 58.4° | 58.5° |
H11 | C12 | C13 | H14 | 178.4° | 61.4° |
H11 | C12 | C14 | H15 | 61.4° | 60.0° |
H11 | C12 | C14 | H16 | 58.6° | 59.9° |
H11 | C12 | C14 | H17 | 178.6° | 180.0° |
H12 | C13 | H13 | H14 | 120.0° | 120.0° |
H15 | C14 | H16 | H17 | 120.0° | 120.0° |
H18 | C17 | C18 | H19 | 172.6° | 174.9° |
H18 | C17 | C18 | H20 | 68.1° | 65.0° |
H18 | C17 | C25 | S1 | 179.4° | 175.0° |
H18 | C17 | C25 | H27 | 56.1° | 55.0° |
H18 | C17 | N16 | H42 | 178.6° | 145.0° |
H19 | C18 | C19 | H21 | 62.2° | 176.0° |
H20 | C18 | C19 | H21 | 178.5° | 64.0° |
H21 | C19 | C23 | H24 | 30.6° | 98.3° |
H21 | C19 | C23 | H25 | 152.4° | 25.4° |
H22 | C22 | C23 | H24 | 91.5° | 24.5° |
H22 | C22 | C23 | H25 | 30.4° | 148.3° |
H22 | C22 | N21 | H43 | 35.3° | 78.0° |
H23 | C22 | C23 | H24 | 30.9° | 97.4° |
H23 | C22 | C23 | H25 | 152.8° | 26.3° |
H23 | C22 | N21 | H43 | 87.1° | 43.9° |
S1 | C25 | O26 | H44 | 58.7° | 60.0° |
C25 | S1 | O1 | O3 | 90.0° | 131.6° |
C25 | S1 | O1 | O2 | 90.0° | 111.7° |
C25 | S1 | O3 | O2 | 90.0° | 111.7° |
C25 | S1 | O2 | H26 | 90.0° | 179.9° |
H27 | C25 | O26 | H44 | 65.3° | 180.0° |
H27 | C25 | S1 | O1 | 93.9° | 176.7° |
H27 | C25 | S1 | O3 | 93.9° | 46.5° |
H27 | C25 | S1 | O2 | 93.9° | 65.1° |
H28 | C30 | C31 | H30 | 65.7° | 65.0° |
H29 | C30 | C31 | H30 | 175.5° | 175.0° |
H30 | C31 | C32 | H31 | 58.5° | NaN° |
H30 | C31 | C32 | H32 | 177.9° | 60.0° |
H30 | C31 | C36 | H39 | 177.7° | 60.0° |
H30 | C31 | C36 | H40 | 58.3° | 179.9° |
H31 | C32 | C33 | H33 | 56.7° | 60.0° |
H31 | C32 | C33 | H34 | 62.9° | 180.0° |
H32 | C32 | C33 | H33 | 176.1° | 60.0° |
H32 | C32 | C33 | H34 | 56.5° | 60.0° |
H33 | C33 | C34 | H35 | 56.2° | 60.0° |
H33 | C33 | C34 | H36 | 175.9° | 60.0° |
H34 | C33 | C34 | H35 | 63.4° | 180.0° |
H34 | C33 | C34 | H36 | 56.3° | 60.1° |
H35 | C34 | C35 | H37 | 63.5° | 60.0° |
H35 | C34 | C35 | H38 | 56.0° | 179.9° |
H36 | C34 | C35 | H37 | 56.2° | 60.0° |
H36 | C34 | C35 | H38 | 175.7° | 60.0° |
H37 | C35 | C36 | H39 | 56.3° | 60.0° |
H37 | C35 | C36 | H40 | 63.0° | 60.0° |
H38 | C35 | C36 | H39 | 175.8° | 60.0° |
H38 | C35 | C36 | H40 | 56.5° | 179.9° |
O1 | S1 | O3 | O2 | 90.0° | 116.7° |
O1 | S1 | O2 | H26 | 90.0° | 64.0° |
O3 | S1 | O2 | H26 | 90.0° | 63.9° |