A1IF8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.21Å | |
C | CA | sing | 1.51Å | 1.49Å | |
CG2 | CB | sing | 1.53Å | 1.51Å | |
CA | CB | sing | 1.54Å | 1.53Å | |
CA | N | sing | 1.45Å | 1.44Å | |
CB | OG1 | sing | 1.36Å | 1.35Å | |
N | C16 | sing | 1.48Å | 1.45Å | |
OG1 | C14 | sing | 1.44Å | 1.36Å | |
C16 | C15 | sing | 1.53Å | 1.47Å | |
C14 | O19 | sing | 1.43Å | 1.39Å | |
C14 | C15 | sing | 1.51Å | 1.56Å | |
C14 | C13 | sing | 1.53Å | 1.51Å | |
C15 | O17 | sing | 1.43Å | 1.37Å | |
C15 | C18 | sing | 1.53Å | 1.51Å | |
C20 | C13 | sing | 1.53Å | 1.52Å | |
C20 | C21 | sing | 1.53Å | 1.52Å | |
C22 | C21 | sing | 1.53Å | 1.48Å | |
C22 | C23 | sing | 1.53Å | 1.49Å | |
C13 | N12 | sing | 1.46Å | 1.44Å | |
C21 | C26 | sing | 1.53Å | 1.46Å | |
C23 | C24 | sing | 1.53Å | 1.47Å | |
C26 | C25 | sing | 1.53Å | 1.49Å | |
C24 | C25 | sing | 1.53Å | 1.48Å | |
N12 | C11 | sing | 1.35Å | 1.30Å | |
C11 | O27 | doub | 1.21Å | 1.22Å | |
C11 | C10 | sing | 1.51Å | 1.50Å | |
C28 | C10 | sing | 1.53Å | 1.49Å | |
C28 | C29 | sing | 1.53Å | 1.50Å | |
C10 | N9 | sing | 1.46Å | 1.43Å | |
C31 | C30 | sing | 1.53Å | 1.52Å | |
N9 | C8 | sing | 1.35Å | 1.31Å | |
C30 | C29 | sing | 1.53Å | 1.52Å | |
C8 | O32 | doub | 1.21Å | 1.21Å | |
C8 | C7 | sing | 1.51Å | 1.34Å | |
C6 | C7 | sing | 1.54Å | 1.46Å | |
C6 | C3 | sing | 1.55Å | 1.44Å | |
C7 | N1 | sing | 1.47Å | 1.43Å | |
F4 | C3 | sing | 1.40Å | 1.10Å | |
C3 | F5 | sing | 1.40Å | 1.12Å | |
C3 | C2 | sing | 1.55Å | 1.48Å | |
N1 | C2 | sing | 1.47Å | 1.43Å | |
N1 | C33 | sing | 1.35Å | 1.31Å | |
O43 | C33 | doub | 1.21Å | 1.22Å | |
C33 | C34 | sing | 1.51Å | 1.51Å | |
C34 | C35 | sing | 1.53Å | 1.51Å | |
C34 | N36 | sing | 1.46Å | 1.46Å | |
N36 | C37 | sing | 1.35Å | 1.33Å | |
C37 | O42 | doub | 1.21Å | 1.23Å | |
C37 | C38 | sing | 1.51Å | 1.52Å | |
C38 | N39 | sing | 1.47Å | 1.46Å | |
N39 | N40 | doub | 1.12Å | 1.35Å | |
N40 | N41 | doub | 1.12Å | 1.34Å | |
C6 | H1 | sing | 1.09Å | 1.10Å | |
C6 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
N12 | H5 | sing | 0.97Å | 1.00Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C20 | H7 | sing | 1.09Å | 1.10Å | |
C20 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
C22 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C24 | H12 | sing | 1.09Å | 1.10Å | |
C24 | H13 | sing | 1.09Å | 1.10Å | |
C26 | H14 | sing | 1.09Å | 1.10Å | |
C26 | H15 | sing | 1.09Å | 1.10Å | |
C28 | H16 | sing | 1.09Å | 1.10Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
N41 | H18 | sing | 0.97Å | 1.00Å | |
C38 | H19 | sing | 1.09Å | 1.10Å | |
C38 | H20 | sing | 1.09Å | 1.10Å | |
N36 | H21 | sing | 0.97Å | 1.00Å | |
C34 | H22 | sing | 1.09Å | 1.10Å | |
C35 | H23 | sing | 1.09Å | 1.10Å | |
C35 | H24 | sing | 1.09Å | 1.10Å | |
C35 | H25 | sing | 1.09Å | 1.10Å | |
C2 | H26 | sing | 1.09Å | 1.10Å | |
C2 | H27 | sing | 1.09Å | 1.10Å | |
N9 | H28 | sing | 0.97Å | 1.00Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H31 | sing | 1.09Å | 1.10Å | |
C30 | H32 | sing | 1.09Å | 1.10Å | |
C31 | H33 | sing | 1.09Å | 1.10Å | |
C31 | H34 | sing | 1.09Å | 1.10Å | |
C31 | H35 | sing | 1.09Å | 1.10Å | |
C23 | H36 | sing | 1.09Å | 1.10Å | |
C23 | H37 | sing | 1.09Å | 1.10Å | |
C25 | H38 | sing | 1.09Å | 1.10Å | |
C25 | H39 | sing | 1.09Å | 1.10Å | |
O19 | H40 | sing | 0.97Å | 0.95Å | |
CB | H41 | sing | 1.09Å | 1.10Å | |
CG2 | H42 | sing | 1.09Å | 1.10Å | |
CG2 | H43 | sing | 1.09Å | 1.10Å | |
CG2 | H44 | sing | 1.09Å | 1.10Å | |
CA | H45 | sing | 1.09Å | 1.10Å | |
C | H46 | sing | 1.08Å | 1.08Å | |
N | H47 | sing | 1.01Å | 1.00Å | |
C16 | H49 | sing | 1.09Å | 1.10Å | |
C16 | H50 | sing | 1.09Å | 1.10Å | |
C18 | H51 | sing | 1.09Å | 1.10Å | |
C18 | H52 | sing | 1.09Å | 1.10Å | |
C18 | H53 | sing | 1.09Å | 1.10Å | |
O17 | H54 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 121.0° | 120.0° |
O | C | H46 | 119.5° | 120.0° |
C | CA | CB | 109.1° | 109.6° |
C | CA | N | 109.5° | 109.5° |
C | CA | H45 | 110.5° | 109.6° |
CA | C | H46 | 119.6° | 120.0° |
CG2 | CB | CA | 114.7° | 109.0° |
CG2 | CB | OG1 | 100.9° | 109.1° |
CG2 | CB | H41 | 110.0° | 109.0° |
CB | CG2 | H42 | 109.5° | 109.5° |
CB | CG2 | H43 | 109.5° | 109.5° |
CB | CG2 | H44 | 109.5° | 109.4° |
CB | CA | N | 106.7° | 109.1° |
CA | CB | OG1 | 108.7° | 111.5° |
CA | CB | H41 | 109.7° | 109.1° |
CB | CA | H45 | 109.9° | 109.5° |
CA | N | C16 | 102.8° | 114.2° |
N | CA | H45 | 111.1° | 109.5° |
CA | N | H47 | 111.1° | 111.0° |
CB | OG1 | C14 | 116.1° | 117.4° |
OG1 | CB | H41 | 112.6° | 109.1° |
N | C16 | C15 | 110.1° | 112.2° |
C16 | N | H47 | 111.1° | 111.0° |
N | C16 | H49 | 109.3° | 109.0° |
N | C16 | H50 | 109.3° | 109.0° |
OG1 | C14 | O19 | 112.1° | 109.8° |
OG1 | C14 | C15 | 109.8° | 107.9° |
OG1 | C14 | C13 | 103.9° | 109.9° |
C16 | C15 | C14 | 113.7° | 111.7° |
C16 | C15 | O17 | 104.8° | 109.0° |
C16 | C15 | C18 | 106.6° | 109.0° |
C15 | C16 | H49 | 109.3° | 109.0° |
C15 | C16 | H50 | 109.3° | 108.8° |
O19 | C14 | C15 | 112.3° | 109.8° |
O19 | C14 | C13 | 106.8° | 109.8° |
C14 | O19 | H40 | 109.5° | 114.0° |
C15 | C14 | C13 | 111.6° | 109.7° |
C14 | C15 | O17 | 112.9° | 109.0° |
C14 | C15 | C18 | 109.7° | 109.1° |
C14 | C13 | C20 | 108.8° | 109.4° |
C14 | C13 | N12 | 109.2° | 109.5° |
C14 | C13 | H6 | 110.2° | 109.5° |
O17 | C15 | C18 | 108.9° | 109.0° |
C15 | O17 | H54 | 109.5° | 114.0° |
C15 | C18 | H51 | 109.5° | 109.5° |
C15 | C18 | H52 | 109.5° | 109.5° |
C15 | C18 | H53 | 109.5° | 109.5° |
C13 | C20 | C21 | 114.8° | 109.5° |
C20 | C13 | N12 | 107.4° | 109.5° |
C20 | C13 | H6 | 110.0° | 109.4° |
C13 | C20 | H7 | 108.1° | 109.4° |
C13 | C20 | H8 | 108.1° | 109.4° |
C20 | C21 | C22 | 106.4° | 109.5° |
C20 | C21 | C26 | 109.5° | 109.4° |
C21 | C20 | H7 | 108.1° | 109.5° |
C21 | C20 | H8 | 108.1° | 109.5° |
C20 | C21 | H9 | 110.4° | 109.5° |
C21 | C22 | C23 | 113.4° | 109.4° |
C22 | C21 | C26 | 107.9° | 109.5° |
C22 | C21 | H9 | 111.0° | 109.5° |
C21 | C22 | H10 | 108.5° | 109.5° |
C21 | C22 | H11 | 108.5° | 109.5° |
C22 | C23 | C24 | 110.1° | 109.5° |
C23 | C22 | H10 | 108.5° | 109.5° |
C23 | C22 | H11 | 108.5° | 109.5° |
C22 | C23 | H36 | 109.3° | 109.5° |
C22 | C23 | H37 | 109.3° | 109.4° |
C13 | N12 | C11 | 119.5° | 120.0° |
C13 | N12 | H5 | 120.3° | 120.0° |
N12 | C13 | H6 | 111.2° | 109.5° |
C21 | C26 | C25 | 109.6° | 109.5° |
C26 | C21 | H9 | 111.4° | 109.4° |
C21 | C26 | H14 | 109.4° | 109.5° |
C21 | C26 | H15 | 109.4° | 109.6° |
C23 | C24 | C25 | 107.3° | 109.5° |
C23 | C24 | H12 | 110.0° | 109.5° |
C23 | C24 | H13 | 110.0° | 109.5° |
C24 | C23 | H36 | 109.3° | 109.5° |
C24 | C23 | H37 | 109.3° | 109.5° |
C26 | C25 | C24 | 109.2° | 109.5° |
C25 | C26 | H14 | 109.5° | 109.4° |
C25 | C26 | H15 | 109.4° | 109.4° |
C26 | C25 | H38 | 109.5° | 109.4° |
C26 | C25 | H39 | 109.5° | 109.5° |
C25 | C24 | H12 | 110.0° | 109.4° |
C25 | C24 | H13 | 110.0° | 109.5° |
C24 | C25 | H38 | 109.5° | 109.5° |
C24 | C25 | H39 | 109.5° | 109.5° |
N12 | C11 | O27 | 123.0° | 120.0° |
N12 | C11 | C10 | 113.7° | 120.0° |
C11 | N12 | H5 | 120.3° | 120.0° |
O27 | C11 | C10 | 123.2° | 120.0° |
C11 | C10 | C28 | 111.1° | 109.5° |
C11 | C10 | N9 | 107.9° | 109.5° |
C11 | C10 | H4 | 109.0° | 109.4° |
C10 | C28 | C29 | 105.2° | 109.5° |
C28 | C10 | N9 | 109.9° | 109.5° |
C28 | C10 | H4 | 109.1° | 109.5° |
C10 | C28 | H16 | 110.5° | 109.4° |
C10 | C28 | H17 | 110.5° | 109.5° |
C28 | C29 | C30 | 109.4° | 109.5° |
C29 | C28 | H16 | 110.5° | 109.5° |
C29 | C28 | H17 | 110.5° | 109.5° |
C28 | C29 | H29 | 109.5° | 109.5° |
C28 | C29 | H30 | 109.5° | 109.5° |
C10 | N9 | C8 | 124.0° | 120.0° |
N9 | C10 | H4 | 109.8° | 109.4° |
C10 | N9 | H28 | 118.0° | 120.0° |
C31 | C30 | C29 | 110.0° | 109.5° |
C31 | C30 | H31 | 109.3° | 109.5° |
C31 | C30 | H32 | 109.3° | 109.4° |
C30 | C31 | H33 | 109.5° | 109.5° |
C30 | C31 | H34 | 109.5° | 109.5° |
C30 | C31 | H35 | 109.5° | 109.5° |
N9 | C8 | O32 | 126.1° | 120.0° |
N9 | C8 | C7 | 111.1° | 120.0° |
C8 | N9 | H28 | 118.0° | 120.0° |
C30 | C29 | H29 | 109.5° | 109.5° |
C30 | C29 | H30 | 109.5° | 109.4° |
C29 | C30 | H31 | 109.3° | 109.5° |
C29 | C30 | H32 | 109.3° | 109.4° |
O32 | C8 | C7 | 122.8° | 120.0° |
C8 | C7 | C6 | 105.3° | 109.9° |
C8 | C7 | N1 | 115.7° | 109.9° |
C8 | C7 | H3 | 111.5° | 110.0° |
C7 | C6 | C3 | 100.0° | 102.9° |
C6 | C7 | N1 | 104.2° | 107.3° |
C7 | C6 | H1 | 111.8° | 110.8° |
C7 | C6 | H2 | 111.8° | 110.7° |
C6 | C7 | H3 | 109.6° | 109.9° |
C6 | C3 | F4 | 112.0° | 111.0° |
C6 | C3 | F5 | 119.4° | 111.0° |
C6 | C3 | C2 | 102.1° | 101.4° |
C3 | C6 | H1 | 111.8° | 110.9° |
C3 | C6 | H2 | 111.8° | 110.6° |
C7 | N1 | C2 | 108.8° | 108.7° |
C7 | N1 | C33 | 127.1° | 125.6° |
N1 | C7 | H3 | 110.0° | 109.9° |
F4 | C3 | F5 | 103.0° | 110.8° |
F4 | C3 | C2 | 115.6° | 110.9° |
F5 | C3 | C2 | 105.1° | 111.3° |
C3 | C2 | N1 | 101.1° | 104.8° |
C3 | C2 | H26 | 111.5° | 110.4° |
C3 | C2 | H27 | 111.5° | 110.4° |
C2 | N1 | C33 | 123.7° | 125.7° |
N1 | C2 | H26 | 111.5° | 110.3° |
N1 | C2 | H27 | 111.5° | 110.4° |
N1 | C33 | O43 | 124.0° | 120.0° |
N1 | C33 | C34 | 114.7° | 120.0° |
O43 | C33 | C34 | 121.3° | 120.0° |
C33 | C34 | C35 | 110.3° | 109.5° |
C33 | C34 | N36 | 107.4° | 109.5° |
C33 | C34 | H22 | 110.3° | 109.5° |
C35 | C34 | N36 | 107.4° | 109.5° |
C35 | C34 | H22 | 110.3° | 109.5° |
C34 | C35 | H23 | 109.5° | 109.4° |
C34 | C35 | H24 | 109.5° | 109.4° |
C34 | C35 | H25 | 109.5° | 109.5° |
C34 | N36 | C37 | 123.4° | 120.0° |
C34 | N36 | H21 | 118.3° | 120.0° |
N36 | C34 | H22 | 111.0° | 109.4° |
N36 | C37 | O42 | 124.6° | 120.0° |
N36 | C37 | C38 | 113.5° | 120.0° |
C37 | N36 | H21 | 118.3° | 120.0° |
O42 | C37 | C38 | 121.9° | 120.0° |
C37 | C38 | N39 | 109.1° | 109.5° |
C37 | C38 | H19 | 109.6° | 109.5° |
C37 | C38 | H20 | 109.6° | 109.4° |
C38 | N39 | N40 | 115.6° | 120.0° |
N39 | C38 | H19 | 109.5° | 109.5° |
N39 | C38 | H20 | 109.6° | 109.5° |
N39 | N40 | N41 | 179.7° | 180.0° |
N40 | N41 | H18 | 112.0° | 120.0° |
H1 | C6 | H2 | 109.5° | 110.7° |
H7 | C20 | H8 | 109.5° | 109.5° |
H10 | C22 | H11 | 109.5° | 109.5° |
H12 | C24 | H13 | 109.5° | 109.5° |
H14 | C26 | H15 | 109.5° | 109.5° |
H16 | C28 | H17 | 109.5° | 109.5° |
H19 | C38 | H20 | 109.5° | 109.5° |
H23 | C35 | H24 | 109.5° | 109.5° |
H23 | C35 | H25 | 109.4° | 109.5° |
H24 | C35 | H25 | 109.5° | 109.5° |
H26 | C2 | H27 | 109.5° | 110.4° |
H29 | C29 | H30 | 109.5° | 109.5° |
H31 | C30 | H32 | 109.5° | 109.5° |
H33 | C31 | H34 | 109.4° | 109.4° |
H33 | C31 | H35 | 109.5° | 109.5° |
H34 | C31 | H35 | 109.5° | 109.4° |
H36 | C23 | H37 | 109.5° | 109.4° |
H38 | C25 | H39 | 109.5° | 109.5° |
H42 | CG2 | H43 | 109.5° | 109.5° |
H42 | CG2 | H44 | 109.4° | 109.5° |
H43 | CG2 | H44 | 109.5° | 109.4° |
H49 | C16 | H50 | 109.5° | 108.8° |
H51 | C18 | H52 | 109.5° | 109.4° |
H51 | C18 | H53 | 109.4° | 109.5° |
H52 | C18 | H53 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | H46 | 180.0° | 179.9° |
O | C | CA | CB | 84.9° | 115.0° |
O | C | CA | N | 31.5° | 125.4° |
O | C | CA | H45 | 154.2° | 5.2° |
C | CA | CB | CG2 | 58.9° | 43.7° |
C | CA | CB | N | 118.2° | 119.9° |
C | CA | CB | H45 | 121.2° | 120.3° |
C | CA | N | H45 | 122.3° | 120.2° |
C | CA | CB | OG1 | 170.9° | 164.2° |
C | CA | N | C16 | 161.1° | 146.7° |
C | CA | CB | H41 | 65.6° | 75.2° |
C | CA | N | H47 | 42.2° | 20.2° |
CG2 | CB | CA | OG1 | 112.0° | 120.5° |
CG2 | CB | CA | H41 | 124.5° | 119.0° |
CG2 | CB | CA | N | 177.1° | 163.6° |
CG2 | CB | OG1 | H41 | 117.2° | 119.0° |
CG2 | CB | OG1 | C14 | 144.6° | 178.1° |
CB | CG2 | H42 | H43 | 120.0° | 120.1° |
CB | CG2 | H42 | H44 | 120.0° | 120.0° |
CB | CG2 | H43 | H44 | 120.0° | 120.0° |
CG2 | CB | CA | H45 | 62.3° | 76.5° |
CB | CA | N | H45 | 119.8° | 119.8° |
CA | CB | OG1 | H41 | 121.8° | 120.5° |
CB | CA | N | C16 | 80.9° | 93.4° |
CA | CB | OG1 | C14 | 94.5° | 61.4° |
CA | CB | CG2 | H42 | 180.0° | 178.1° |
CA | CB | CG2 | H43 | 60.0° | 58.1° |
CA | CB | CG2 | H44 | 60.0° | 61.9° |
CB | CA | C | H46 | 95.1° | 64.9° |
CB | CA | N | H47 | 160.2° | 140.2° |
N | CA | CB | OG1 | 70.9° | 75.9° |
CA | N | C16 | H47 | 118.9° | 126.4° |
CA | N | C16 | C15 | 102.3° | 41.7° |
N | CA | CB | H41 | 52.6° | 44.7° |
N | CA | C | H46 | 148.5° | 54.7° |
CA | N | C16 | H49 | 17.8° | 162.5° |
CA | N | C16 | H50 | 137.6° | 78.9° |
CB | OG1 | C14 | O19 | 41.8° | 38.8° |
CB | OG1 | C14 | C15 | 83.7° | 80.8° |
CB | OG1 | C14 | C13 | 156.8° | 159.6° |
OG1 | CB | CG2 | H42 | 63.4° | 60.0° |
OG1 | CB | CG2 | H43 | 176.6° | 180.0° |
OG1 | CB | CG2 | H44 | 56.6° | 60.0° |
OG1 | CB | CA | H45 | 49.7° | 43.9° |
N | C16 | C15 | H49 | 120.1° | 120.8° |
N | C16 | C15 | H50 | 120.1° | 120.6° |
N | C16 | C15 | C14 | 63.9° | 41.3° |
N | C16 | C15 | O17 | 59.7° | 161.9° |
N | C16 | C15 | C18 | 175.1° | 79.3° |
C16 | N | CA | H45 | 38.9° | 26.5° |
N | C16 | H49 | H50 | 119.7° | 118.7° |
OG1 | C14 | C15 | C16 | 12.9° | 92.0° |
OG1 | C14 | O19 | C15 | 124.1° | 118.4° |
OG1 | C14 | O19 | C13 | 113.2° | 120.9° |
OG1 | C14 | C15 | C13 | 114.7° | 119.7° |
OG1 | C14 | C15 | O17 | 132.0° | 147.5° |
OG1 | C14 | C15 | C18 | 106.3° | 28.6° |
OG1 | C14 | C13 | C20 | 53.1° | 63.5° |
OG1 | C14 | C13 | N12 | 170.0° | 176.5° |
OG1 | C14 | C13 | H6 | 67.6° | 56.4° |
OG1 | C14 | O19 | H40 | 180.0° | 58.5° |
C14 | OG1 | CB | H41 | 27.3° | 59.1° |
C16 | C15 | C14 | O19 | 112.5° | 27.6° |
C16 | C15 | C14 | O17 | 119.1° | 120.5° |
C16 | C15 | C14 | C18 | 119.2° | 120.6° |
C16 | C15 | C14 | C13 | 127.6° | 148.3° |
C16 | C15 | O17 | C18 | 113.7° | 118.9° |
C15 | C16 | N | H47 | 138.8° | 168.1° |
C15 | C16 | H49 | H50 | 119.7° | 118.6° |
C16 | C15 | C18 | H51 | 180.0° | 155.3° |
C16 | C15 | C18 | H52 | 60.0° | 84.7° |
C16 | C15 | C18 | H53 | 60.0° | 35.2° |
C16 | C15 | O17 | H54 | 180.0° | 58.8° |
O19 | C14 | C15 | C13 | 119.9° | 120.7° |
O19 | C14 | C15 | O17 | 6.7° | 93.0° |
O19 | C14 | C15 | C18 | 128.3° | 148.2° |
O19 | C14 | C13 | C20 | 65.5° | 57.3° |
O19 | C14 | C13 | N12 | 51.4° | 62.7° |
O19 | C14 | C13 | H6 | 173.7° | 177.2° |
C14 | C15 | O17 | C18 | 122.1° | 119.0° |
C15 | C14 | C13 | C20 | 171.4° | 178.0° |
C15 | C14 | C13 | N12 | 71.7° | 58.0° |
C15 | C14 | C13 | H6 | 50.6° | 62.1° |
C15 | C14 | O19 | H40 | 55.9° | 59.9° |
C14 | C15 | C16 | H49 | 56.1° | 79.4° |
C14 | C15 | C16 | H50 | 176.0° | 162.0° |
C14 | C15 | C18 | H51 | 56.5° | 82.5° |
C14 | C15 | C18 | H52 | 63.5° | 37.4° |
C14 | C15 | C18 | H53 | 176.5° | 157.4° |
C14 | C15 | O17 | H54 | 55.9° | 179.0° |
C13 | C14 | C15 | O17 | 113.3° | 27.8° |
C13 | C14 | C15 | C18 | 8.4° | 91.1° |
C14 | C13 | C20 | N12 | 118.0° | 120.0° |
C14 | C13 | C20 | H6 | 120.8° | 120.0° |
C14 | C13 | C20 | C21 | 177.7° | 67.7° |
C14 | C13 | N12 | H6 | 121.8° | 120.1° |
C14 | C13 | N12 | C11 | 124.9° | 150.9° |
C14 | C13 | N12 | H5 | 55.1° | 29.2° |
C14 | C13 | C20 | H7 | 56.9° | 172.3° |
C14 | C13 | C20 | H8 | 61.5° | 52.3° |
C13 | C14 | O19 | H40 | 66.8° | 179.4° |
O17 | C15 | C16 | H49 | 179.8° | 41.1° |
O17 | C15 | C16 | H50 | 60.4° | 77.5° |
O17 | C15 | C18 | H51 | 67.4° | 36.4° |
O17 | C15 | C18 | H52 | 172.5° | 156.4° |
O17 | C15 | C18 | H53 | 52.5° | 83.6° |
C18 | C15 | C16 | H49 | 64.8° | 160.0° |
C18 | C15 | C16 | H50 | 55.0° | 41.4° |
C15 | C18 | H51 | H52 | 120.0° | 120.0° |
C15 | C18 | H51 | H53 | 120.0° | 120.1° |
C15 | C18 | H52 | H53 | 120.0° | 120.1° |
C18 | C15 | O17 | H54 | 66.2° | 60.0° |
C13 | C20 | C21 | H7 | 120.8° | 120.0° |
C13 | C20 | C21 | H8 | 120.8° | 120.0° |
C13 | C20 | C21 | C22 | 174.7° | 62.4° |
C20 | C13 | N12 | H6 | 120.4° | 120.0° |
C13 | C20 | C21 | C26 | 58.4° | 177.6° |
C20 | C13 | N12 | C11 | 117.3° | 89.1° |
C20 | C13 | N12 | H5 | 62.7° | 90.8° |
C13 | C20 | H7 | H8 | 117.5° | 119.9° |
C13 | C20 | C21 | H9 | 64.7° | 57.6° |
C20 | C21 | C22 | C26 | 117.4° | 120.0° |
C20 | C21 | C22 | H9 | 120.2° | 120.0° |
C20 | C21 | C22 | C23 | 172.5° | 180.0° |
C21 | C20 | C13 | N12 | 59.7° | 172.2° |
C20 | C21 | C26 | H9 | 122.5° | 120.0° |
C20 | C21 | C26 | C25 | 174.3° | 180.0° |
C21 | C20 | C13 | H6 | 61.4° | 52.2° |
C21 | C20 | H7 | H8 | 117.6° | 120.0° |
C20 | C21 | C22 | H10 | 66.9° | 60.0° |
C20 | C21 | C22 | H11 | 52.0° | 60.0° |
C20 | C21 | C26 | H14 | 54.3° | 60.1° |
C20 | C21 | C26 | H15 | 65.6° | 60.0° |
C21 | C22 | C23 | H10 | 120.6° | 120.0° |
C21 | C22 | C23 | H11 | 120.5° | 120.0° |
C22 | C21 | C26 | H9 | 122.1° | 120.0° |
C21 | C22 | C23 | C24 | 55.6° | 60.0° |
C22 | C21 | C26 | C25 | 59.0° | 60.0° |
C22 | C21 | C20 | H7 | 64.5° | 57.6° |
C22 | C21 | C20 | H8 | 54.0° | 177.6° |
C21 | C22 | H10 | H11 | 118.2° | 120.0° |
C22 | C21 | C26 | H14 | 61.1° | 59.9° |
C22 | C21 | C26 | H15 | 179.0° | 180.0° |
C21 | C22 | C23 | H36 | 64.4° | 60.1° |
C21 | C22 | C23 | H37 | 175.7° | 180.0° |
C23 | C22 | C21 | C26 | 55.1° | 60.0° |
C22 | C23 | C24 | H36 | 120.1° | 120.0° |
C22 | C23 | C24 | H37 | 120.1° | 119.9° |
C22 | C23 | C24 | C25 | 58.0° | 60.0° |
C23 | C22 | C21 | H9 | 67.3° | 60.0° |
C23 | C22 | H10 | H11 | 118.3° | 120.0° |
C22 | C23 | C24 | H12 | 177.6° | 180.0° |
C22 | C23 | C24 | H13 | 61.7° | 60.0° |
C22 | C23 | H36 | H37 | 119.7° | 119.9° |
C13 | N12 | C11 | H5 | 180.0° | 179.9° |
C13 | N12 | C11 | O27 | 0.3° | 4.9° |
C13 | N12 | C11 | C10 | 175.9° | 175.0° |
N12 | C13 | C20 | H7 | 61.1° | 52.2° |
N12 | C13 | C20 | H8 | 179.5° | 67.7° |
C21 | C26 | C25 | H14 | 120.0° | 120.0° |
C21 | C26 | C25 | H15 | 120.0° | 120.1° |
C21 | C26 | C25 | C24 | 65.7° | 60.0° |
C26 | C21 | C20 | H7 | 179.1° | 62.4° |
C26 | C21 | C20 | H8 | 62.4° | 57.6° |
C26 | C21 | C22 | H10 | 175.7° | 180.0° |
C26 | C21 | C22 | H11 | 65.5° | 60.0° |
C21 | C26 | H14 | H15 | 119.9° | 120.1° |
C21 | C26 | C25 | H38 | 174.3° | 60.0° |
C21 | C26 | C25 | H39 | 54.2° | 180.0° |
C23 | C24 | C25 | C26 | 63.6° | 60.0° |
C23 | C24 | C25 | H12 | 119.7° | 120.0° |
C23 | C24 | C25 | H13 | 119.6° | 120.0° |
C24 | C23 | C22 | H10 | 176.2° | 180.0° |
C24 | C23 | C22 | H11 | 64.9° | 60.0° |
C23 | C24 | H12 | H13 | 121.0° | 120.0° |
C24 | C23 | H36 | H37 | 119.7° | 120.0° |
C23 | C24 | C25 | H38 | 176.4° | 59.9° |
C23 | C24 | C25 | H39 | 56.4° | 180.0° |
C26 | C25 | C24 | H38 | 120.0° | 119.9° |
C26 | C25 | C24 | H39 | 120.0° | 120.0° |
C25 | C26 | C21 | H9 | 63.2° | 60.0° |
C26 | C25 | C24 | H12 | 176.7° | 180.0° |
C26 | C25 | C24 | H13 | 56.0° | 60.0° |
C25 | C26 | H14 | H15 | 120.0° | 119.9° |
C26 | C25 | H38 | H39 | 120.1° | 120.0° |
C25 | C24 | H12 | H13 | 121.0° | 120.0° |
C24 | C25 | C26 | H14 | 54.3° | 60.0° |
C24 | C25 | C26 | H15 | 174.3° | 180.0° |
C25 | C24 | C23 | H36 | 62.1° | 60.0° |
C25 | C24 | C23 | H37 | 178.0° | 180.0° |
C24 | C25 | H38 | H39 | 120.1° | 120.1° |
N12 | C11 | O27 | C10 | 175.1° | 179.9° |
N12 | C11 | C10 | C28 | 65.2° | 59.9° |
N12 | C11 | C10 | N9 | 174.2° | 180.0° |
N12 | C11 | C10 | H4 | 55.0° | 60.1° |
C11 | N12 | C13 | H6 | 3.1° | 30.8° |
O27 | C11 | C10 | C28 | 119.3° | 119.9° |
O27 | C11 | C10 | N9 | 1.3° | 0.1° |
O27 | C11 | C10 | H4 | 120.5° | 120.0° |
O27 | C11 | N12 | H5 | 179.6° | 175.1° |
C11 | C10 | C28 | N9 | 119.4° | 120.0° |
C11 | C10 | C28 | H4 | 120.2° | 120.0° |
C11 | C10 | C28 | C29 | 174.4° | 175.0° |
C11 | C10 | N9 | H4 | 118.7° | 119.9° |
C11 | C10 | N9 | C8 | 144.6° | 155.0° |
C10 | C11 | N12 | H5 | 4.1° | 5.1° |
C11 | C10 | C28 | H16 | 55.0° | 65.0° |
C11 | C10 | C28 | H17 | 66.3° | 55.0° |
C11 | C10 | N9 | H28 | 35.4° | 25.0° |
C10 | C28 | C29 | H16 | 119.3° | 120.0° |
C10 | C28 | C29 | H17 | 119.3° | 120.0° |
C28 | C10 | N9 | H4 | 120.0° | 120.0° |
C28 | C10 | N9 | C8 | 94.2° | 85.0° |
C10 | C28 | C29 | C30 | 160.6° | 180.0° |
C10 | C28 | H16 | H17 | 122.0° | 120.0° |
C28 | C10 | N9 | H28 | 85.8° | 95.0° |
C10 | C28 | C29 | H29 | 40.6° | 60.0° |
C10 | C28 | C29 | H30 | 79.4° | 60.1° |
C29 | C28 | C10 | N9 | 55.0° | 65.0° |
C28 | C29 | C30 | C31 | 61.3° | 180.0° |
C28 | C29 | C30 | H29 | 120.0° | 120.0° |
C28 | C29 | C30 | H30 | 120.0° | 120.0° |
C29 | C28 | C10 | H4 | 65.5° | 55.0° |
C29 | C28 | H16 | H17 | 122.0° | 120.0° |
C28 | C29 | H29 | H30 | 120.0° | 120.0° |
C28 | C29 | C30 | H31 | 58.8° | 60.0° |
C28 | C29 | C30 | H32 | 178.6° | 60.0° |
C10 | N9 | C8 | H28 | 180.0° | 180.0° |
C10 | N9 | C8 | O32 | 2.0° | 0.0° |
C10 | N9 | C8 | C7 | 176.2° | 180.0° |
N9 | C10 | C28 | H16 | 64.3° | 55.0° |
N9 | C10 | C28 | H17 | 174.3° | 175.0° |
C31 | C30 | C29 | H31 | 120.1° | 120.0° |
C31 | C30 | C29 | H32 | 120.1° | 119.9° |
C31 | C30 | C29 | H29 | 58.7° | 60.0° |
C31 | C30 | C29 | H30 | 178.7° | 60.1° |
C31 | C30 | H31 | H32 | 119.7° | 120.0° |
C30 | C31 | H33 | H34 | 120.0° | 120.0° |
C30 | C31 | H33 | H35 | 120.0° | 120.1° |
C30 | C31 | H34 | H35 | 120.0° | 120.0° |
N9 | C8 | O32 | C7 | 178.1° | 180.0° |
N9 | C8 | C7 | C6 | 73.6° | 61.4° |
N9 | C8 | C7 | N1 | 172.0° | 179.2° |
N9 | C8 | C7 | H3 | 45.2° | 59.7° |
C8 | N9 | C10 | H4 | 25.9° | 35.0° |
C30 | C29 | C28 | H16 | 80.1° | 60.0° |
C30 | C29 | C28 | H17 | 41.3° | 60.0° |
C30 | C29 | H29 | H30 | 120.0° | 119.9° |
C29 | C30 | H31 | H32 | 119.8° | 120.0° |
C29 | C30 | C31 | H33 | 180.0° | 59.9° |
C29 | C30 | C31 | H34 | 60.0° | 60.0° |
C29 | C30 | C31 | H35 | 60.0° | 180.0° |
O32 | C8 | C7 | C6 | 104.8° | 118.5° |
O32 | C8 | C7 | N1 | 9.7° | 0.7° |
O32 | C8 | C7 | H3 | 136.5° | 120.4° |
O32 | C8 | N9 | H28 | 178.0° | 180.0° |
C8 | C7 | C6 | N1 | 122.3° | 119.4° |
C8 | C7 | C6 | H3 | 120.0° | 121.2° |
C8 | C7 | C6 | C3 | 158.6° | 141.8° |
C8 | C7 | N1 | H3 | 127.5° | 121.2° |
C8 | C7 | N1 | C2 | 125.7° | 118.3° |
C8 | C7 | N1 | C33 | 61.5° | 61.3° |
C8 | C7 | C6 | H1 | 40.1° | 23.2° |
C8 | C7 | C6 | H2 | 83.0° | 100.0° |
C7 | C8 | N9 | H28 | 3.8° | 0.0° |
C7 | C6 | C3 | H1 | 118.4° | 118.5° |
C7 | C6 | C3 | H2 | 118.5° | 118.3° |
C6 | C7 | N1 | H3 | 117.4° | 119.4° |
C7 | C6 | C3 | F4 | 172.6° | 153.6° |
C7 | C6 | C3 | F5 | 66.9° | 82.6° |
C7 | C6 | C3 | C2 | 48.4° | 35.8° |
C6 | C7 | N1 | C2 | 10.6° | 1.1° |
C6 | C7 | N1 | C33 | 176.7° | 179.2° |
C7 | C6 | H1 | H2 | 124.4° | 123.2° |
C3 | C6 | C7 | N1 | 36.3° | 22.3° |
C6 | C3 | F4 | F5 | 129.6° | 123.9° |
C6 | C3 | F4 | C2 | 116.4° | 112.0° |
C6 | C3 | F5 | C2 | 113.7° | 112.2° |
C6 | C3 | C2 | N1 | 41.9° | 37.3° |
C3 | C6 | H1 | H2 | 124.4° | 123.2° |
C3 | C6 | C7 | H3 | 81.4° | 97.0° |
C6 | C3 | C2 | H26 | 76.7° | 156.1° |
C6 | C3 | C2 | H27 | 160.6° | 81.6° |
C7 | N1 | C2 | C3 | 18.8° | 24.4° |
C7 | N1 | C2 | C33 | 173.0° | 179.7° |
C7 | N1 | C33 | O43 | 4.2° | 0.3° |
C7 | N1 | C33 | C34 | 174.2° | 179.7° |
N1 | C7 | C6 | H1 | 82.1° | 96.2° |
N1 | C7 | C6 | H2 | 154.7° | 140.5° |
C7 | N1 | C2 | H26 | 99.8° | 143.2° |
C7 | N1 | C2 | H27 | 137.5° | 94.5° |
F4 | C3 | F5 | C2 | 121.4° | 123.9° |
F4 | C3 | C2 | N1 | 163.8° | 155.3° |
F4 | C3 | C6 | H1 | 54.2° | 35.2° |
F4 | C3 | C6 | H2 | 68.9° | 88.1° |
F4 | C3 | C2 | H26 | 45.2° | 85.9° |
F4 | C3 | C2 | H27 | 77.6° | 36.4° |
F5 | C3 | C2 | N1 | 83.4° | 80.8° |
F5 | C3 | C6 | H1 | 174.7° | 159.0° |
F5 | C3 | C6 | H2 | 51.6° | 35.7° |
F5 | C3 | C2 | H26 | 158.0° | 38.0° |
F5 | C3 | C2 | H27 | 35.3° | 160.3° |
C3 | C2 | N1 | H26 | 118.7° | 118.8° |
C3 | C2 | N1 | H27 | 118.6° | 118.9° |
C3 | C2 | N1 | C33 | 154.2° | 155.9° |
C2 | C3 | C6 | H1 | 70.0° | 82.7° |
C2 | C3 | C6 | H2 | 166.8° | 154.0° |
C3 | C2 | H26 | H27 | 123.9° | 122.4° |
C2 | N1 | C33 | O43 | 175.9° | 179.9° |
C2 | N1 | C33 | C34 | 2.4° | 0.0° |
C2 | N1 | C7 | H3 | 106.8° | 120.5° |
N1 | C2 | H26 | H27 | 123.9° | 122.3° |
N1 | C33 | O43 | C34 | 178.3° | 180.0° |
N1 | C33 | C34 | C35 | 92.3° | 60.0° |
N1 | C33 | C34 | N36 | 150.9° | 180.0° |
C33 | N1 | C7 | H3 | 66.0° | 59.8° |
N1 | C33 | C34 | H22 | 29.8° | 60.0° |
C33 | N1 | C2 | H26 | 87.1° | 37.1° |
C33 | N1 | C2 | H27 | 35.6° | 85.1° |
O43 | C33 | C34 | C35 | 89.3° | 120.0° |
O43 | C33 | C34 | N36 | 27.5° | 0.0° |
O43 | C33 | C34 | H22 | 148.6° | 120.0° |
C33 | C34 | C35 | N36 | 116.8° | 120.1° |
C33 | C34 | C35 | H22 | 122.1° | 120.0° |
C33 | C34 | N36 | H22 | 120.7° | 120.0° |
C33 | C34 | N36 | C37 | 102.7° | 154.9° |
C33 | C34 | N36 | H21 | 77.4° | 25.0° |
C33 | C34 | C35 | H23 | 180.0° | 60.0° |
C33 | C34 | C35 | H24 | 60.0° | 60.0° |
C33 | C34 | C35 | H25 | 60.0° | 180.0° |
C35 | C34 | N36 | H22 | 120.7° | 120.0° |
C35 | C34 | N36 | C37 | 138.7° | 85.0° |
C35 | C34 | N36 | H21 | 41.3° | 95.1° |
C34 | C35 | H23 | H24 | 120.0° | 119.9° |
C34 | C35 | H23 | H25 | 120.0° | 120.0° |
C34 | C35 | H24 | H25 | 120.0° | 120.0° |
C34 | N36 | C37 | H21 | 180.0° | 179.9° |
C34 | N36 | C37 | O42 | 0.3° | 0.1° |
C34 | N36 | C37 | C38 | 180.0° | 180.0° |
N36 | C34 | C35 | H23 | 63.2° | 60.1° |
N36 | C34 | C35 | H24 | 56.8° | 180.0° |
N36 | C34 | C35 | H25 | 176.8° | 60.0° |
N36 | C37 | O42 | C38 | 179.7° | 179.9° |
N36 | C37 | C38 | N39 | 70.3° | 180.0° |
N36 | C37 | C38 | H19 | 169.7° | 59.9° |
N36 | C37 | C38 | H20 | 49.6° | 60.1° |
C37 | N36 | C34 | H22 | 18.0° | 35.0° |
O42 | C37 | C38 | N39 | 109.4° | 0.0° |
O42 | C37 | C38 | H19 | 10.6° | 120.0° |
O42 | C37 | C38 | H20 | 130.7° | 120.0° |
O42 | C37 | N36 | H21 | 179.7° | 180.0° |
C37 | C38 | N39 | H19 | 120.0° | 120.1° |
C37 | C38 | N39 | H20 | 120.0° | 120.0° |
C37 | C38 | N39 | N40 | 113.5° | 120.0° |
C37 | C38 | H19 | H20 | 120.2° | 120.0° |
C38 | C37 | N36 | H21 | 0.0° | 0.1° |
C38 | N39 | N40 | N41 | 109.4° | 109.6° |
N39 | C38 | H19 | H20 | 120.1° | 120.0° |
N39 | N40 | N41 | H18 | 0.1° | 19.6° |
N40 | N39 | C38 | H19 | 6.5° | 119.9° |
N40 | N39 | C38 | H20 | 126.6° | 0.1° |
H1 | C6 | C7 | H3 | 160.2° | 144.4° |
H2 | C6 | C7 | H3 | 37.1° | 21.2° |
H4 | C10 | C28 | H16 | 175.2° | 175.0° |
H4 | C10 | C28 | H17 | 53.8° | 65.1° |
H4 | C10 | N9 | H28 | 154.1° | 145.0° |
H5 | N12 | C13 | H6 | 176.9° | 149.2° |
H6 | C13 | C20 | H7 | 177.8° | 67.8° |
H6 | C13 | C20 | H8 | 59.3° | 172.3° |
H7 | C20 | C21 | H9 | 56.1° | 177.6° |
H8 | C20 | C21 | H9 | 174.5° | 62.4° |
H9 | C21 | C22 | H10 | 53.3° | 60.0° |
H9 | C21 | C22 | H11 | 172.1° | 180.0° |
H9 | C21 | C26 | H14 | 176.8° | 179.9° |
H9 | C21 | C26 | H15 | 56.8° | 60.0° |
H10 | C22 | C23 | H36 | 56.1° | 59.9° |
H10 | C22 | C23 | H37 | 63.7° | 60.0° |
H11 | C22 | C23 | H36 | 175.0° | 179.9° |
H11 | C22 | C23 | H37 | 55.2° | 60.0° |
H12 | C24 | C23 | H36 | 57.5° | 59.9° |
H12 | C24 | C23 | H37 | 62.3° | 60.1° |
H12 | C24 | C25 | H38 | 56.8° | 60.1° |
H12 | C24 | C25 | H39 | 63.3° | 60.0° |
H13 | C24 | C23 | H36 | 178.2° | 180.0° |
H13 | C24 | C23 | H37 | 58.4° | 60.0° |
H13 | C24 | C25 | H38 | 63.9° | 180.0° |
H13 | C24 | C25 | H39 | 176.0° | 60.0° |
H14 | C26 | C25 | H38 | 65.6° | 180.0° |
H14 | C26 | C25 | H39 | 174.2° | 60.0° |
H15 | C26 | C25 | H38 | 54.3° | 60.0° |
H15 | C26 | C25 | H39 | 65.8° | 59.9° |
H16 | C28 | C29 | H29 | 159.9° | 180.0° |
H16 | C28 | C29 | H30 | 39.9° | 59.9° |
H17 | C28 | C29 | H29 | 78.7° | 60.0° |
H17 | C28 | C29 | H30 | 161.3° | 180.0° |
H21 | N36 | C34 | H22 | 161.9° | 145.0° |
H22 | C34 | C35 | H23 | 57.9° | 180.0° |
H22 | C34 | C35 | H24 | 177.9° | 60.0° |
H22 | C34 | C35 | H25 | 62.1° | 60.0° |
H23 | C35 | H24 | H25 | 119.9° | 120.1° |
H29 | C29 | C30 | H31 | 178.8° | 180.0° |
H29 | C29 | C30 | H32 | 61.4° | 60.0° |
H30 | C29 | C30 | H31 | 61.2° | 60.0° |
H30 | C29 | C30 | H32 | 58.6° | 180.0° |
H31 | C30 | C31 | H33 | 59.9° | 180.0° |
H31 | C30 | C31 | H34 | 60.1° | 60.0° |
H31 | C30 | C31 | H35 | 179.9° | 59.9° |
H32 | C30 | C31 | H33 | 59.9° | 60.0° |
H32 | C30 | C31 | H34 | 179.9° | 180.0° |
H32 | C30 | C31 | H35 | 60.1° | 60.1° |
H33 | C31 | H34 | H35 | 120.0° | 119.9° |
H41 | CB | CG2 | H42 | 55.7° | 59.1° |
H41 | CB | CG2 | H43 | 64.4° | 60.9° |
H41 | CB | CG2 | H44 | 175.7° | 179.1° |
H41 | CB | CA | H45 | 173.2° | 164.5° |
H42 | CG2 | H43 | H44 | 119.9° | 120.0° |
H45 | CA | C | H46 | 25.8° | 174.9° |
H45 | CA | N | H47 | 80.0° | 100.0° |
H47 | N | C16 | H49 | 101.2° | 71.1° |
H47 | N | C16 | H50 | 18.7° | 47.6° |
H51 | C18 | H52 | H53 | 120.0° | 120.0° |