PRD_001198
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C33 | C32 | sing | 1.51Å | 1.50Å | |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
C32 | O5 | doub | 1.21Å | 1.24Å | |
C32 | N4 | sing | 1.35Å | 1.37Å | |
C16 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
N4 | C12 | sing | 1.46Å | 1.49Å | |
C19 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
C14 | C13 | sing | 1.51Å | 1.52Å | |
C15 | CL | sing | 1.74Å | 1.72Å | |
C12 | C13 | sing | 1.53Å | 1.55Å | |
C12 | C11 | sing | 1.51Å | 1.48Å | |
O4 | C11 | doub | 1.21Å | 1.21Å | |
C11 | N5 | sing | 1.35Å | 1.37Å | |
N5 | C30 | sing | 1.47Å | 1.48Å | |
N5 | C35 | sing | 1.47Å | 1.49Å | |
C26 | C28 | doub | 1.30Å | 1.35Å | |
C26 | C35 | sing | 1.50Å | 1.52Å | |
C28 | C27 | sing | 1.50Å | 1.51Å | |
C30 | C29 | sing | 1.55Å | 1.53Å | |
C35 | C31 | sing | 1.51Å | 1.50Å | |
C35 | C34 | sing | 1.54Å | 1.54Å | |
C24 | C27 | sing | 1.55Å | 1.53Å | |
C24 | C9 | sing | 1.55Å | 1.54Å | |
C31 | O3 | doub | 1.21Å | 1.24Å | |
C31 | N3 | sing | 1.35Å | 1.35Å | |
C27 | N3 | sing | 1.48Å | 1.47Å | |
N3 | C10 | sing | 1.47Å | 1.47Å | |
C9 | C10 | sing | 1.55Å | 1.53Å | |
C10 | C20 | sing | 1.51Å | 1.51Å | |
C34 | C29 | sing | 1.55Å | 1.51Å | |
C22 | C23 | sing | 1.55Å | 1.52Å | |
C22 | N2 | sing | 1.48Å | 1.51Å | |
C23 | C8 | sing | 1.54Å | 1.53Å | |
C20 | N2 | sing | 1.35Å | 1.38Å | |
C20 | O6 | doub | 1.21Å | 1.23Å | |
N2 | C21 | sing | 1.46Å | 1.46Å | |
C8 | C21 | sing | 1.52Å | 1.54Å | |
C8 | C7 | sing | 1.46Å | 1.49Å | |
C21 | C25 | sing | 1.48Å | 1.51Å | |
C7 | C6 | doub | 1.28Å | 1.35Å | |
O7 | C25 | doub | 1.21Å | 1.26Å | |
C25 | N1 | sing | 1.34Å | 1.37Å | |
C6 | C5 | sing | 1.50Å | 1.49Å | |
N1 | C5 | sing | 1.49Å | 1.50Å | |
N1 | C2 | sing | 1.45Å | 1.48Å | |
C5 | C4 | sing | 1.51Å | 1.54Å | |
O1 | C1 | doub | 1.21Å | 1.26Å | |
C2 | C1 | sing | 1.51Å | 1.49Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C1 | O2 | sing | 1.34Å | 1.28Å | |
C4 | C3 | doub | 1.30Å | 1.51Å | |
C19 | H1 | sing | 1.08Å | 1.08Å | |
C18 | H2 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C16 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
N4 | H8 | sing | 0.97Å | 1.00Å | |
C33 | H9 | sing | 1.09Å | 1.10Å | |
C33 | H10 | sing | 1.09Å | 1.10Å | |
C33 | H11 | sing | 1.09Å | 1.10Å | |
C30 | H12 | sing | 1.09Å | 1.10Å | |
C30 | H13 | sing | 1.09Å | 1.10Å | |
C29 | H14 | sing | 1.09Å | 1.10Å | |
C29 | H15 | sing | 1.09Å | 1.10Å | |
C34 | H16 | sing | 1.09Å | 1.10Å | |
C34 | H17 | sing | 1.09Å | 1.10Å | |
C26 | H18 | sing | 1.08Å | 1.08Å | |
C28 | H19 | sing | 1.08Å | 1.08Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C24 | H21 | sing | 1.09Å | 1.10Å | |
C24 | H22 | sing | 1.09Å | 1.10Å | |
C9 | H23 | sing | 1.09Å | 1.10Å | |
C9 | H24 | sing | 1.09Å | 1.10Å | |
C10 | H25 | sing | 1.09Å | 1.10Å | |
C22 | H26 | sing | 1.09Å | 1.10Å | |
C22 | H27 | sing | 1.09Å | 1.10Å | |
C23 | H28 | sing | 1.09Å | 1.10Å | |
C23 | H29 | sing | 1.09Å | 1.10Å | |
C8 | H30 | sing | 1.09Å | 1.10Å | |
C21 | H31 | sing | 1.09Å | 1.10Å | |
C7 | H32 | sing | 1.08Å | 1.08Å | |
C6 | H33 | sing | 1.08Å | 1.08Å | |
C5 | H34 | sing | 1.09Å | 1.10Å | |
C4 | H35 | sing | 1.08Å | 1.08Å | |
C3 | H36 | sing | 1.08Å | 1.08Å | |
C2 | H37 | sing | 1.09Å | 1.10Å | |
O2 | H38 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C33 | C32 | O5 | 120.0° | 120.0° |
C33 | C32 | N4 | 118.2° | 120.1° |
C32 | C33 | H9 | 109.5° | 109.5° |
C32 | C33 | H10 | 109.5° | 109.5° |
C32 | C33 | H11 | 109.5° | 109.4° |
C18 | C17 | C16 | 119.8° | 120.1° |
C17 | C18 | C19 | 122.6° | 120.0° |
C17 | C18 | H2 | 118.7° | 120.0° |
C18 | C17 | H3 | 120.1° | 119.9° |
C17 | C16 | C14 | 119.4° | 120.0° |
C16 | C17 | H3 | 120.1° | 120.0° |
C17 | C16 | H4 | 120.3° | 120.0° |
C18 | C19 | C15 | 117.3° | 120.0° |
C18 | C19 | H1 | 121.4° | 120.0° |
C19 | C18 | H2 | 118.7° | 120.0° |
O5 | C32 | N4 | 121.8° | 119.9° |
C32 | N4 | C12 | 118.3° | 120.0° |
C32 | N4 | H8 | 120.9° | 119.9° |
C16 | C14 | C15 | 119.0° | 120.0° |
C16 | C14 | C13 | 120.2° | 120.0° |
C14 | C16 | H4 | 120.3° | 120.0° |
N4 | C12 | C13 | 111.6° | 109.5° |
N4 | C12 | C11 | 107.3° | 109.5° |
N4 | C12 | H7 | 110.0° | 109.4° |
C12 | N4 | H8 | 120.8° | 120.0° |
C19 | C15 | C14 | 121.8° | 119.9° |
C19 | C15 | CL | 117.9° | 120.1° |
C15 | C19 | H1 | 121.4° | 119.9° |
C15 | C14 | C13 | 120.6° | 120.0° |
C14 | C15 | CL | 120.1° | 120.0° |
C14 | C13 | C12 | 113.1° | 109.5° |
C14 | C13 | H5 | 108.5° | 109.4° |
C14 | C13 | H6 | 108.5° | 109.4° |
C13 | C12 | C11 | 108.4° | 109.5° |
C12 | C13 | H5 | 108.6° | 109.5° |
C12 | C13 | H6 | 108.6° | 109.5° |
C13 | C12 | H7 | 109.3° | 109.5° |
C12 | C11 | O4 | 120.8° | 120.0° |
C12 | C11 | N5 | 119.1° | 120.0° |
C11 | C12 | H7 | 110.2° | 109.5° |
O4 | C11 | N5 | 120.1° | 120.0° |
C11 | N5 | C30 | 124.8° | 125.6° |
C11 | N5 | C35 | 122.2° | 125.7° |
C30 | N5 | C35 | 113.1° | 108.7° |
N5 | C30 | C29 | 102.9° | 104.8° |
N5 | C30 | H12 | 111.1° | 110.3° |
N5 | C30 | H13 | 111.1° | 110.4° |
N5 | C35 | C26 | 110.2° | 109.9° |
N5 | C35 | C31 | 108.9° | 109.6° |
N5 | C35 | C34 | 102.2° | 107.3° |
C28 | C26 | C35 | 121.8° | 123.3° |
C26 | C28 | C27 | 118.6° | 121.5° |
C28 | C26 | H18 | 119.1° | 118.3° |
C26 | C28 | H19 | 120.7° | 119.3° |
C26 | C35 | C31 | 112.4° | 111.1° |
C26 | C35 | C34 | 111.6° | 109.4° |
C35 | C26 | H18 | 119.1° | 118.3° |
C28 | C27 | C24 | 115.0° | 110.6° |
C28 | C27 | N3 | 112.5° | 108.9° |
C27 | C28 | H19 | 120.7° | 119.3° |
C28 | C27 | H20 | 108.0° | 110.7° |
C30 | C29 | C34 | 104.2° | 101.6° |
C29 | C30 | H12 | 111.1° | 110.3° |
C29 | C30 | H13 | 111.1° | 110.4° |
C30 | C29 | H14 | 110.8° | 111.1° |
C30 | C29 | H15 | 110.8° | 111.0° |
C31 | C35 | C34 | 111.0° | 109.3° |
C35 | C31 | O3 | 125.7° | 120.5° |
C35 | C31 | N3 | 116.0° | 119.1° |
C35 | C34 | C29 | 105.1° | 103.0° |
C35 | C34 | H16 | 110.6° | 110.8° |
C35 | C34 | H17 | 110.5° | 110.7° |
C27 | C24 | C9 | 102.3° | 101.0° |
C24 | C27 | N3 | 105.0° | 104.4° |
C24 | C27 | H20 | 107.7° | 111.2° |
C27 | C24 | H21 | 111.2° | 111.2° |
C27 | C24 | H22 | 111.2° | 111.2° |
C24 | C9 | C10 | 107.3° | 102.7° |
C9 | C24 | H21 | 111.2° | 111.1° |
C9 | C24 | H22 | 111.2° | 111.1° |
C24 | C9 | H23 | 110.0° | 110.8° |
C24 | C9 | H24 | 110.0° | 110.8° |
O3 | C31 | N3 | 118.3° | 120.5° |
C31 | N3 | C27 | 125.5° | 123.7° |
C31 | N3 | C10 | 122.1° | 127.6° |
C27 | N3 | C10 | 111.7° | 108.6° |
N3 | C27 | H20 | 108.4° | 110.8° |
N3 | C10 | C9 | 104.0° | 107.0° |
N3 | C10 | C20 | 110.4° | 109.9° |
N3 | C10 | H25 | 110.9° | 110.0° |
C9 | C10 | C20 | 111.1° | 109.9° |
C10 | C9 | H23 | 110.0° | 110.7° |
C10 | C9 | H24 | 110.0° | 110.7° |
C9 | C10 | H25 | 109.9° | 109.9° |
C10 | C20 | N2 | 118.4° | 120.0° |
C10 | C20 | O6 | 120.9° | 120.0° |
C20 | C10 | H25 | 110.3° | 110.1° |
C34 | C29 | H14 | 110.8° | 111.0° |
C34 | C29 | H15 | 110.8° | 111.0° |
C29 | C34 | H16 | 110.5° | 110.7° |
C29 | C34 | H17 | 110.6° | 110.8° |
C23 | C22 | N2 | 105.3° | 107.2° |
C22 | C23 | C8 | 99.9° | 102.0° |
C23 | C22 | H26 | 110.5° | 109.9° |
C23 | C22 | H27 | 110.5° | 110.0° |
C22 | C23 | H28 | 111.8° | 111.0° |
C22 | C23 | H29 | 111.8° | 110.9° |
C22 | N2 | C20 | 124.6° | 126.3° |
C22 | N2 | C21 | 110.2° | 107.4° |
N2 | C22 | H26 | 110.5° | 109.9° |
N2 | C22 | H27 | 110.5° | 109.9° |
C23 | C8 | C21 | 105.5° | 102.1° |
C23 | C8 | C7 | 115.5° | 116.6° |
C8 | C23 | H28 | 111.8° | 110.9° |
C8 | C23 | H29 | 111.8° | 110.9° |
C23 | C8 | H30 | 108.6° | 107.3° |
N2 | C20 | O6 | 120.7° | 120.0° |
C20 | N2 | C21 | 124.6° | 126.3° |
N2 | C21 | C8 | 102.9° | 105.5° |
N2 | C21 | C25 | 113.3° | 116.5° |
N2 | C21 | H31 | 110.6° | 107.4° |
C21 | C8 | C7 | 109.4° | 116.0° |
C8 | C21 | C25 | 110.5° | 112.7° |
C21 | C8 | H30 | 108.5° | 107.0° |
C8 | C21 | H31 | 109.4° | 107.1° |
C8 | C7 | C6 | 127.5° | 130.9° |
C7 | C8 | H30 | 109.2° | 107.2° |
C8 | C7 | H32 | 116.2° | 114.6° |
C21 | C25 | O7 | 124.5° | 121.0° |
C21 | C25 | N1 | 115.3° | 118.1° |
C25 | C21 | H31 | 109.9° | 107.2° |
C7 | C6 | C5 | 129.1° | 126.7° |
C6 | C7 | H32 | 116.2° | 114.6° |
C7 | C6 | H33 | 115.4° | 116.7° |
O7 | C25 | N1 | 120.2° | 120.9° |
C25 | N1 | C5 | 123.0° | 123.7° |
C25 | N1 | C2 | 125.2° | 130.2° |
C6 | C5 | N1 | 116.0° | 110.7° |
C6 | C5 | C4 | 109.7° | 109.1° |
C5 | C6 | H33 | 115.4° | 116.6° |
C6 | C5 | H34 | 108.3° | 109.9° |
C5 | N1 | C2 | 110.6° | 106.1° |
N1 | C5 | C4 | 106.7° | 106.0° |
N1 | C5 | H34 | 108.2° | 111.0° |
N1 | C2 | C1 | 111.1° | 109.3° |
N1 | C2 | C3 | 106.6° | 107.2° |
N1 | C2 | H37 | 110.9° | 110.3° |
C5 | C4 | C3 | 107.0° | 110.3° |
C4 | C5 | H34 | 107.7° | 110.0° |
C5 | C4 | H35 | 126.5° | 124.8° |
O1 | C1 | C2 | 117.3° | 120.0° |
O1 | C1 | O2 | 124.6° | 120.0° |
C1 | C2 | C3 | 107.4° | 110.0° |
C2 | C1 | O2 | 118.1° | 120.0° |
C1 | C2 | H37 | 110.7° | 110.0° |
C2 | C3 | C4 | 108.4° | 110.2° |
C2 | C3 | H36 | 125.8° | 124.9° |
C3 | C2 | H37 | 110.1° | 110.0° |
C1 | O2 | H38 | 109.5° | 117.0° |
C3 | C4 | H35 | 126.5° | 124.9° |
C4 | C3 | H36 | 125.8° | 124.9° |
H5 | C13 | H6 | 109.5° | 109.5° |
H9 | C33 | H10 | 109.4° | 109.5° |
H9 | C33 | H11 | 109.5° | 109.5° |
H10 | C33 | H11 | 109.5° | 109.5° |
H12 | C30 | H13 | 109.5° | 110.4° |
H14 | C29 | H15 | 109.5° | 110.9° |
H16 | C34 | H17 | 109.5° | 110.6° |
H21 | C24 | H22 | 109.5° | 111.0° |
H23 | C9 | H24 | 109.5° | 110.8° |
H26 | C22 | H27 | 109.5° | 110.0° |
H28 | C23 | H29 | 109.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C33 | C32 | O5 | N4 | 179.5° | 179.7° |
C33 | C32 | N4 | C12 | 171.6° | 179.7° |
C33 | C32 | N4 | H8 | 8.4° | 0.3° |
C32 | C33 | H9 | H10 | 120.0° | 120.0° |
C32 | C33 | H9 | H11 | 120.0° | 120.0° |
C32 | C33 | H10 | H11 | 120.0° | 119.9° |
C18 | C17 | C16 | H3 | 180.0° | 180.0° |
C17 | C18 | C19 | H2 | 180.0° | 180.0° |
C18 | C17 | C16 | C14 | 1.3° | 0.3° |
C17 | C18 | C19 | C15 | 0.6° | 0.0° |
C17 | C18 | C19 | H1 | 179.4° | 180.0° |
C18 | C17 | C16 | H4 | 178.7° | 179.9° |
C16 | C17 | C18 | C19 | 0.1° | 0.0° |
C17 | C16 | C14 | H4 | 180.0° | 179.8° |
C17 | C16 | C14 | C15 | 3.3° | 0.5° |
C17 | C16 | C14 | C13 | 178.8° | 180.0° |
C16 | C17 | C18 | H2 | 179.9° | 180.0° |
C18 | C19 | C15 | H1 | 180.0° | 180.0° |
C18 | C19 | C15 | C14 | 2.7° | 0.3° |
C18 | C19 | C15 | CL | 179.3° | 180.0° |
C19 | C18 | C17 | H3 | 179.9° | 180.0° |
O5 | C32 | N4 | C12 | 8.0° | 0.0° |
O5 | C32 | N4 | H8 | 172.0° | 180.0° |
O5 | C32 | C33 | H9 | 0.0° | 0.0° |
O5 | C32 | C33 | H10 | 120.0° | 120.0° |
O5 | C32 | C33 | H11 | 120.0° | 120.0° |
C32 | N4 | C12 | H8 | 180.0° | 180.0° |
C32 | N4 | C12 | C13 | 104.2° | 60.0° |
C32 | N4 | C12 | C11 | 137.3° | 60.0° |
C32 | N4 | C12 | H7 | 17.4° | 180.0° |
N4 | C32 | C33 | H9 | 179.6° | 179.7° |
N4 | C32 | C33 | H10 | 60.5° | 59.7° |
N4 | C32 | C33 | H11 | 59.5° | 60.3° |
C16 | C14 | C15 | C19 | 4.1° | 0.5° |
C16 | C14 | C15 | C13 | 175.5° | 179.5° |
C16 | C14 | C15 | CL | 179.4° | 179.7° |
C16 | C14 | C13 | C12 | 93.7° | 100.0° |
C14 | C16 | C17 | H3 | 178.7° | 179.7° |
C16 | C14 | C13 | H5 | 145.8° | 140.0° |
C16 | C14 | C13 | H6 | 26.9° | 20.0° |
N4 | C12 | C13 | C14 | 55.7° | 65.0° |
N4 | C12 | C13 | C11 | 117.9° | 120.0° |
N4 | C12 | C13 | H7 | 122.0° | 120.0° |
N4 | C12 | C11 | H7 | 119.8° | 120.0° |
N4 | C12 | C11 | O4 | 40.0° | 20.0° |
N4 | C12 | C11 | N5 | 143.2° | 160.0° |
N4 | C12 | C13 | H5 | 176.3° | 175.0° |
N4 | C12 | C13 | H6 | 64.8° | 55.0° |
C19 | C15 | C14 | CL | 176.5° | 179.7° |
C19 | C15 | C14 | C13 | 179.6° | 180.0° |
C15 | C19 | C18 | H2 | 179.4° | 180.0° |
C15 | C14 | C13 | C12 | 81.7° | 80.5° |
C14 | C15 | C19 | H1 | 177.3° | 179.8° |
C15 | C14 | C16 | H4 | 176.6° | 179.7° |
C15 | C14 | C13 | H5 | 38.8° | 39.5° |
C15 | C14 | C13 | H6 | 157.7° | 159.5° |
C13 | C14 | C15 | CL | 3.9° | 0.2° |
C14 | C13 | C12 | H5 | 120.5° | 120.0° |
C14 | C13 | C12 | H6 | 120.6° | 120.0° |
C14 | C13 | C12 | C11 | 173.6° | 175.0° |
C13 | C14 | C16 | H4 | 1.2° | 0.2° |
C14 | C13 | H5 | H6 | 118.3° | 120.0° |
C14 | C13 | C12 | H7 | 66.2° | 55.0° |
CL | C15 | C19 | H1 | 0.8° | 0.0° |
C13 | C12 | C11 | H7 | 119.6° | 120.0° |
C13 | C12 | C11 | O4 | 80.6° | 100.0° |
C13 | C12 | C11 | N5 | 96.2° | 80.0° |
C12 | C13 | H5 | H6 | 118.4° | 120.0° |
C13 | C12 | N4 | H8 | 75.8° | 120.0° |
C12 | C11 | O4 | N5 | 176.8° | 180.0° |
C12 | C11 | N5 | C30 | 4.5° | 0.1° |
C12 | C11 | N5 | C35 | 174.3° | 179.7° |
C11 | C12 | C13 | H5 | 65.9° | 55.0° |
C11 | C12 | C13 | H6 | 53.1° | 65.0° |
C11 | C12 | N4 | H8 | 42.7° | 120.0° |
O4 | C11 | N5 | C30 | 178.7° | 179.9° |
O4 | C11 | N5 | C35 | 2.6° | 0.3° |
O4 | C11 | C12 | H7 | 159.8° | 140.0° |
C11 | N5 | C30 | C35 | 178.9° | 179.7° |
C11 | N5 | C35 | C26 | 53.6° | 59.9° |
C11 | N5 | C30 | C29 | 165.8° | 155.9° |
C11 | N5 | C35 | C31 | 70.2° | 62.5° |
C11 | N5 | C35 | C34 | 172.3° | 178.9° |
N5 | C11 | C12 | H7 | 23.4° | 40.0° |
C11 | N5 | C30 | H12 | 75.2° | 37.1° |
C11 | N5 | C30 | H13 | 46.9° | 85.2° |
C30 | N5 | C35 | C26 | 127.5° | 120.4° |
N5 | C30 | C29 | H12 | 118.9° | 118.8° |
N5 | C30 | C29 | H13 | 118.9° | 118.9° |
C30 | N5 | C35 | C31 | 108.7° | 117.1° |
C30 | N5 | C35 | C34 | 8.8° | 1.5° |
N5 | C30 | C29 | C34 | 30.0° | 37.0° |
N5 | C30 | H12 | H13 | 123.1° | 122.3° |
N5 | C30 | C29 | H14 | 149.1° | 81.0° |
N5 | C30 | C29 | H15 | 89.2° | 155.0° |
N5 | C35 | C26 | C28 | 153.5° | 146.1° |
N5 | C35 | C26 | C31 | 121.7° | 121.5° |
N5 | C35 | C26 | C34 | 112.8° | 117.6° |
C35 | N5 | C30 | C29 | 13.1° | 24.4° |
N5 | C35 | C31 | C34 | 111.8° | 117.4° |
N5 | C35 | C31 | O3 | 24.0° | 39.7° |
N5 | C35 | C31 | N3 | 155.3° | 140.3° |
N5 | C35 | C34 | C29 | 27.6° | 21.8° |
C35 | N5 | C30 | H12 | 105.9° | 143.2° |
C35 | N5 | C30 | H13 | 132.0° | 94.5° |
N5 | C35 | C34 | H16 | 146.9° | 140.3° |
N5 | C35 | C34 | H17 | 91.7° | 96.6° |
N5 | C35 | C26 | H18 | 26.5° | 33.9° |
C28 | C26 | C35 | H18 | 180.0° | 180.0° |
C26 | C28 | C27 | H19 | 180.0° | 179.9° |
C28 | C26 | C35 | C31 | 31.8° | 24.6° |
C28 | C26 | C35 | C34 | 93.7° | 96.2° |
C26 | C28 | C27 | C24 | 144.5° | 142.4° |
C26 | C28 | C27 | N3 | 24.3° | 28.3° |
C26 | C28 | C27 | H20 | 95.2° | 93.8° |
C35 | C26 | C28 | C27 | 2.4° | 0.1° |
C26 | C35 | C31 | C34 | 125.8° | 120.9° |
C26 | C35 | C31 | O3 | 146.5° | 161.4° |
C26 | C35 | C31 | N3 | 32.9° | 18.6° |
C26 | C35 | C34 | C29 | 145.3° | 97.4° |
C26 | C35 | C34 | H16 | 95.4° | 21.0° |
C26 | C35 | C34 | H17 | 26.0° | 144.1° |
C35 | C26 | C28 | H19 | 177.6° | 180.0° |
C28 | C27 | C24 | N3 | 124.2° | 117.0° |
C28 | C27 | C24 | H20 | 120.4° | 123.5° |
C28 | C27 | C24 | C9 | 154.4° | 156.2° |
C28 | C27 | N3 | C31 | 22.9° | 34.4° |
C28 | C27 | N3 | H20 | 119.3° | 122.0° |
C28 | C27 | N3 | C10 | 147.9° | 144.6° |
C27 | C28 | C26 | H18 | 177.6° | 179.9° |
C28 | C27 | C24 | H21 | 35.5° | 38.3° |
C28 | C27 | C24 | H22 | 86.8° | 85.8° |
C30 | C29 | C34 | C35 | 36.4° | 35.3° |
C30 | C29 | C34 | H14 | 119.1° | 118.1° |
C30 | C29 | C34 | H15 | 119.2° | 118.0° |
C29 | C30 | H12 | H13 | 123.1° | 122.3° |
C30 | C29 | H14 | H15 | 122.5° | 123.9° |
C30 | C29 | C34 | H16 | 155.7° | 153.8° |
C30 | C29 | C34 | H17 | 82.9° | 83.1° |
C35 | C31 | O3 | N3 | 179.3° | 180.0° |
C35 | C31 | N3 | C27 | 6.5° | 11.2° |
C35 | C31 | N3 | C10 | 176.5° | 167.7° |
C31 | C35 | C34 | C29 | 88.4° | 140.6° |
C31 | C35 | C34 | H16 | 30.8° | 100.9° |
C31 | C35 | C34 | H17 | 152.3° | 22.2° |
C31 | C35 | C26 | H18 | 148.2° | 155.4° |
C34 | C35 | C31 | O3 | 87.8° | 77.7° |
C34 | C35 | C31 | N3 | 92.9° | 102.3° |
C35 | C34 | C29 | H16 | 119.3° | 118.5° |
C35 | C34 | C29 | H17 | 119.3° | 118.3° |
C35 | C34 | C29 | H14 | 155.5° | 82.8° |
C35 | C34 | C29 | H15 | 82.8° | 153.3° |
C35 | C34 | H16 | H17 | 122.0° | 123.1° |
C34 | C35 | C26 | H18 | 86.3° | 83.7° |
C27 | C24 | C9 | H21 | 118.8° | 118.0° |
C27 | C24 | C9 | H22 | 118.8° | 118.0° |
C24 | C27 | N3 | C31 | 148.7° | 152.6° |
C24 | C27 | N3 | H20 | 114.9° | 119.8° |
C24 | C27 | N3 | C10 | 22.2° | 26.5° |
C27 | C24 | C9 | C10 | 28.5° | 37.0° |
C24 | C27 | C28 | H19 | 35.5° | 37.5° |
C27 | C24 | H21 | H22 | 123.3° | 124.3° |
C27 | C24 | C9 | H23 | 148.2° | 155.3° |
C27 | C24 | C9 | H24 | 91.1° | 81.4° |
C9 | C24 | C27 | N3 | 30.2° | 39.2° |
C24 | C9 | C10 | N3 | 15.8° | 22.3° |
C24 | C9 | C10 | H23 | 119.7° | 118.4° |
C24 | C9 | C10 | H24 | 119.7° | 118.3° |
C24 | C9 | C10 | C20 | 134.6° | 141.6° |
C9 | C24 | C27 | H20 | 85.2° | 80.3° |
C9 | C24 | H21 | H22 | 123.3° | 124.2° |
C24 | C9 | H23 | H24 | 121.0° | 123.4° |
C24 | C9 | C10 | H25 | 103.0° | 97.1° |
O3 | C31 | N3 | C27 | 172.9° | 168.8° |
O3 | C31 | N3 | C10 | 2.9° | 12.3° |
C31 | N3 | C27 | C10 | 170.9° | 179.1° |
C31 | N3 | C10 | C9 | 167.3° | 176.6° |
C31 | N3 | C10 | C20 | 73.5° | 64.1° |
C31 | N3 | C27 | H20 | 96.3° | 87.6° |
C31 | N3 | C10 | H25 | 49.1° | 57.3° |
C27 | N3 | C10 | C9 | 4.0° | 2.4° |
C27 | N3 | C10 | C20 | 115.3° | 116.9° |
N3 | C27 | C28 | H19 | 155.7° | 151.7° |
N3 | C27 | C24 | H21 | 88.7° | 78.7° |
N3 | C27 | C24 | H22 | 149.0° | 157.2° |
C27 | N3 | C10 | H25 | 122.1° | 121.7° |
N3 | C10 | C9 | C20 | 118.8° | 119.3° |
N3 | C10 | C9 | H25 | 118.8° | 119.4° |
N3 | C10 | C20 | H25 | 123.0° | 121.3° |
N3 | C10 | C20 | N2 | 162.7° | 180.0° |
N3 | C10 | C20 | O6 | 16.4° | 0.0° |
C10 | N3 | C27 | H20 | 92.8° | 93.4° |
N3 | C10 | C9 | H23 | 135.5° | 140.7° |
N3 | C10 | C9 | H24 | 103.8° | 96.0° |
C9 | C10 | C20 | H25 | 122.2° | 121.2° |
C9 | C10 | C20 | N2 | 82.5° | 62.5° |
C9 | C10 | C20 | O6 | 98.5° | 117.5° |
C10 | C9 | C24 | H21 | 90.3° | 81.0° |
C10 | C9 | C24 | H22 | 147.4° | 154.9° |
C10 | C9 | H23 | H24 | 121.0° | 123.3° |
C10 | C20 | N2 | C22 | 6.7° | 0.3° |
C10 | C20 | N2 | O6 | 179.0° | 180.0° |
C10 | C20 | N2 | C21 | 176.6° | 180.0° |
C20 | C10 | C9 | H23 | 105.8° | 100.0° |
C20 | C10 | C9 | H24 | 14.9° | 23.3° |
C34 | C29 | C30 | H12 | 88.9° | 155.8° |
C34 | C29 | C30 | H13 | 148.9° | 81.9° |
C34 | C29 | H14 | H15 | 122.4° | 123.9° |
C29 | C34 | H16 | H17 | 122.1° | 123.2° |
C23 | C22 | N2 | H26 | 119.3° | 119.4° |
C23 | C22 | N2 | H27 | 119.4° | 119.5° |
C22 | C23 | C8 | H28 | 118.4° | 118.3° |
C22 | C23 | C8 | H29 | 118.4° | 118.1° |
C23 | C22 | N2 | C20 | 154.5° | 177.1° |
C23 | C22 | N2 | C21 | 16.6° | 2.6° |
C22 | C23 | C8 | C21 | 40.3° | 36.1° |
C22 | C23 | C8 | C7 | 161.2° | 163.7° |
C23 | C22 | H26 | H27 | 121.9° | 121.2° |
C22 | C23 | H28 | H29 | 124.5° | 123.7° |
C22 | C23 | C8 | H30 | 75.9° | 76.2° |
N2 | C22 | C23 | C8 | 34.2° | 21.4° |
C22 | N2 | C20 | C21 | 169.9° | 179.7° |
C22 | N2 | C20 | O6 | 172.3° | 179.7° |
C22 | N2 | C21 | C8 | 8.7° | 26.2° |
C22 | N2 | C21 | C25 | 128.1° | 152.1° |
N2 | C22 | H26 | H27 | 121.9° | 121.1° |
N2 | C22 | C23 | H28 | 84.2° | 96.9° |
N2 | C22 | C23 | H29 | 152.6° | 139.5° |
C22 | N2 | C21 | H31 | 108.0° | 87.8° |
C23 | C8 | C21 | N2 | 30.9° | 39.3° |
C23 | C8 | C21 | C7 | 124.9° | 127.9° |
C23 | C8 | C21 | H30 | 116.2° | 112.6° |
C23 | C8 | C7 | H30 | 122.6° | 120.2° |
C23 | C8 | C21 | C25 | 152.2° | 167.5° |
C23 | C8 | C7 | C6 | 145.7° | 133.3° |
C8 | C23 | C22 | H26 | 85.2° | 140.7° |
C8 | C23 | C22 | H27 | 153.5° | 98.1° |
C8 | C23 | H28 | H29 | 124.5° | 123.7° |
C23 | C8 | C21 | H31 | 86.7° | 74.9° |
C23 | C8 | C7 | H32 | 34.3° | 46.7° |
C20 | N2 | C21 | C8 | 179.8° | 153.5° |
C20 | N2 | C21 | C25 | 60.8° | 27.6° |
N2 | C20 | C10 | H25 | 39.7° | 58.7° |
C20 | N2 | C22 | H26 | 86.2° | 63.5° |
C20 | N2 | C22 | H27 | 35.1° | 57.7° |
C20 | N2 | C21 | H31 | 63.1° | 92.5° |
O6 | C20 | N2 | C21 | 2.4° | 0.0° |
O6 | C20 | C10 | H25 | 139.3° | 121.2° |
N2 | C21 | C8 | C25 | 121.3° | 128.2° |
N2 | C21 | C8 | H31 | 117.5° | 114.2° |
N2 | C21 | C8 | C7 | 155.7° | 167.2° |
N2 | C21 | C25 | H31 | 124.3° | 120.2° |
N2 | C21 | C25 | O7 | 6.3° | 6.1° |
N2 | C21 | C25 | N1 | 173.5° | 173.8° |
C21 | N2 | C22 | H26 | 102.7° | 116.8° |
C21 | N2 | C22 | H27 | 136.0° | 122.0° |
N2 | C21 | C8 | H30 | 85.3° | 73.2° |
C21 | C8 | C7 | H30 | 118.5° | 119.5° |
C8 | C21 | C25 | H31 | 120.9° | 117.6° |
C21 | C8 | C7 | C6 | 26.9° | 12.9° |
C8 | C21 | C25 | O7 | 108.5° | 116.1° |
C8 | C21 | C25 | N1 | 71.6° | 64.0° |
C21 | C8 | C23 | H28 | 78.2° | 82.1° |
C21 | C8 | C23 | H29 | 158.7° | 154.2° |
C21 | C8 | C7 | H32 | 153.1° | 167.1° |
C7 | C8 | C21 | C25 | 83.0° | 64.6° |
C8 | C7 | C6 | H32 | 180.0° | 180.0° |
C8 | C7 | C6 | C5 | 0.6° | 2.5° |
C7 | C8 | C23 | H28 | 42.8° | 45.4° |
C7 | C8 | C23 | H29 | 80.4° | 78.2° |
C7 | C8 | C21 | H31 | 38.2° | 53.0° |
C8 | C7 | C6 | H33 | 179.4° | 177.5° |
C21 | C25 | O7 | N1 | 179.8° | 179.9° |
C21 | C25 | N1 | C5 | 10.6° | 11.6° |
C21 | C25 | N1 | C2 | 177.3° | 171.9° |
C25 | C21 | C8 | H30 | 36.0° | 55.0° |
C7 | C6 | C5 | H33 | 180.0° | 180.0° |
C7 | C6 | C5 | N1 | 32.5° | 45.3° |
C7 | C6 | C5 | C4 | 153.4° | 161.6° |
C6 | C7 | C8 | H30 | 91.6° | 106.5° |
C7 | C6 | C5 | H34 | 89.2° | 77.7° |
O7 | C25 | N1 | C5 | 169.2° | 168.3° |
O7 | C25 | N1 | C2 | 2.6° | 8.2° |
O7 | C25 | C21 | H31 | 130.6° | 126.3° |
C25 | N1 | C5 | C6 | 60.7° | 68.7° |
C25 | N1 | C5 | C2 | 168.4° | 177.3° |
C25 | N1 | C5 | C4 | 176.8° | 173.1° |
C25 | N1 | C2 | C1 | 68.7° | 67.8° |
C25 | N1 | C2 | C3 | 174.6° | 173.0° |
N1 | C25 | C21 | H31 | 49.2° | 53.6° |
C25 | N1 | C5 | H34 | 61.1° | 53.7° |
C25 | N1 | C2 | H37 | 54.8° | 53.3° |
C6 | C5 | N1 | C4 | 122.5° | 118.3° |
C6 | C5 | N1 | H34 | 121.8° | 122.4° |
C6 | C5 | N1 | C2 | 130.9° | 114.1° |
C6 | C5 | C4 | H34 | 117.7° | 120.7° |
C6 | C5 | C4 | C3 | 133.2° | 116.4° |
C5 | C6 | C7 | H32 | 179.4° | 177.5° |
C6 | C5 | C4 | H35 | 46.8° | 63.7° |
N1 | C5 | C4 | H34 | 116.0° | 120.0° |
C5 | N1 | C2 | C1 | 123.2° | 115.2° |
C5 | N1 | C2 | C3 | 6.5° | 4.0° |
N1 | C5 | C4 | C3 | 6.9° | 2.9° |
N1 | C5 | C6 | H33 | 147.5° | 134.7° |
N1 | C5 | C4 | H35 | 173.2° | 177.1° |
C5 | N1 | C2 | H37 | 113.3° | 123.7° |
C2 | N1 | C5 | C4 | 8.4° | 4.2° |
N1 | C2 | C1 | O1 | 30.0° | 1.1° |
N1 | C2 | C1 | C3 | 116.2° | 117.5° |
N1 | C2 | C1 | H37 | 123.6° | 121.2° |
N1 | C2 | C3 | H37 | 120.3° | 119.9° |
N1 | C2 | C1 | O2 | 150.5° | 179.0° |
N1 | C2 | C3 | C4 | 2.0° | 2.4° |
C2 | N1 | C5 | H34 | 107.3° | 123.5° |
N1 | C2 | C3 | H36 | 178.0° | 177.7° |
C5 | C4 | C3 | C2 | 3.0° | 0.4° |
C5 | C4 | C3 | H35 | 180.0° | 179.9° |
C4 | C5 | C6 | H33 | 26.6° | 18.4° |
C5 | C4 | C3 | H36 | 176.9° | 179.6° |
O1 | C1 | C2 | O2 | 179.5° | 180.0° |
O1 | C1 | C2 | C3 | 86.2° | 118.6° |
O1 | C1 | C2 | H37 | 153.6° | 120.2° |
O1 | C1 | O2 | H38 | 0.0° | 0.0° |
C1 | C2 | C3 | H37 | 120.6° | 121.3° |
C1 | C2 | C3 | C4 | 121.1° | 116.4° |
C1 | C2 | C3 | H36 | 58.9° | 63.6° |
C2 | C1 | O2 | H38 | 179.5° | 180.0° |
C3 | C2 | C1 | O2 | 93.3° | 61.5° |
C2 | C3 | C4 | H36 | 180.0° | 180.0° |
C2 | C3 | C4 | H35 | 177.0° | 179.6° |
O2 | C1 | C2 | H37 | 26.9° | 59.8° |
C3 | C4 | C5 | H34 | 109.1° | 122.9° |
C4 | C3 | C2 | H37 | 118.3° | 122.3° |
H1 | C19 | C18 | H2 | 0.5° | 0.1° |
H2 | C18 | C17 | H3 | 0.1° | 0.0° |
H3 | C17 | C16 | H4 | 1.3° | 0.1° |
H5 | C13 | C12 | H7 | 54.3° | 65.0° |
H6 | C13 | C12 | H7 | 173.2° | 175.0° |
H7 | C12 | N4 | H8 | 162.6° | 0.0° |
H9 | C33 | H10 | H11 | 120.0° | 120.0° |
H12 | C30 | C29 | H14 | 30.2° | 37.7° |
H12 | C30 | C29 | H15 | 151.9° | 86.2° |
H13 | C30 | C29 | H14 | 92.0° | 160.1° |
H13 | C30 | C29 | H15 | 29.7° | 36.2° |
H14 | C29 | C34 | H16 | 85.2° | 35.7° |
H14 | C29 | C34 | H17 | 36.2° | 158.8° |
H15 | C29 | C34 | H16 | 36.5° | 88.1° |
H15 | C29 | C34 | H17 | 157.9° | 35.0° |
H18 | C26 | C28 | H19 | 2.4° | 0.0° |
H19 | C28 | C27 | H20 | 84.8° | 86.3° |
H20 | C27 | C24 | H21 | 155.9° | 161.8° |
H20 | C27 | C24 | H22 | 33.6° | 37.6° |
H21 | C24 | C9 | H23 | 29.3° | 37.3° |
H21 | C24 | C9 | H24 | 150.0° | 160.7° |
H22 | C24 | C9 | H23 | 93.0° | 86.8° |
H22 | C24 | C9 | H24 | 27.7° | 36.6° |
H23 | C9 | C10 | H25 | 16.6° | 21.3° |
H24 | C9 | C10 | H25 | 137.3° | 144.6° |
H26 | C22 | C23 | H28 | 156.4° | 22.5° |
H26 | C22 | C23 | H29 | 33.3° | 101.1° |
H27 | C22 | C23 | H28 | 35.1° | 143.7° |
H27 | C22 | C23 | H29 | 88.0° | 20.1° |
H28 | C23 | C8 | H30 | 165.7° | 165.5° |
H29 | C23 | C8 | H30 | 42.6° | 41.9° |
H30 | C8 | C21 | H31 | 157.1° | 172.6° |
H30 | C8 | C7 | H32 | 88.4° | 73.5° |
H32 | C7 | C6 | H33 | 0.6° | 2.5° |
H33 | C6 | C5 | H34 | 90.7° | 102.3° |
H34 | C5 | C4 | H35 | 70.9° | 57.0° |
H35 | C4 | C3 | H36 | 3.1° | 0.5° |
H36 | C3 | C2 | H37 | 61.7° | 57.7° |