9P0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C43 | C41 | sing | 1.51Å | 1.51Å | |
C1 | N2 | sing | 1.47Å | 1.43Å | |
C39 | C38 | sing | 1.54Å | 1.52Å | |
C39 | N40 | sing | 1.47Å | 1.47Å | |
C41 | N40 | sing | 1.35Å | 1.39Å | |
C41 | O42 | doub | 1.21Å | 1.23Å | |
O5 | C4 | doub | 1.21Å | 1.22Å | |
O25 | C23 | doub | 1.21Å | 1.36Å | |
C38 | C37 | sing | 1.55Å | 1.53Å | |
N40 | C35 | sing | 1.47Å | 1.47Å | |
N2 | C4 | sing | 1.35Å | 1.39Å | |
N2 | C3 | sing | 1.47Å | 1.45Å | |
C4 | C6 | sing | 1.50Å | 1.51Å | |
O24 | C23 | sing | 1.35Å | 1.22Å | |
C23 | C20 | sing | 1.48Å | 1.48Å | |
C37 | C35 | sing | 1.55Å | 1.53Å | |
C35 | C33 | sing | 1.51Å | 1.49Å | |
O34 | C33 | doub | 1.21Å | 1.22Å | |
C6 | C8 | sing | 1.53Å | 1.54Å | |
C6 | N46 | sing | 1.48Å | 1.45Å | |
C33 | N32 | sing | 1.35Å | 1.38Å | |
C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
C8 | S9 | sing | 1.81Å | 1.84Å | |
C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
N46 | C44 | sing | 1.37Å | 1.39Å | |
C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
N32 | C30 | sing | 1.47Å | 1.45Å | |
C22 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
C44 | C30 | sing | 1.51Å | 1.54Å | |
C44 | O45 | doub | 1.21Å | 1.22Å | |
S9 | C10 | sing | 1.82Å | 1.82Å | |
C10 | C11 | sing | 1.51Å | 1.51Å | |
C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
C30 | C29 | sing | 1.52Å | 1.53Å | |
C17 | C16 | sing | 1.48Å | 1.46Å | |
C11 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
C29 | O28 | sing | 1.44Å | 1.44Å | |
O28 | C26 | sing | 1.34Å | 1.35Å | |
C12 | C26 | sing | 1.48Å | 1.49Å | |
C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | O27 | doub | 1.22Å | 1.22Å | |
C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.08Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
C15 | H13 | sing | 1.08Å | 1.08Å | |
C19 | H14 | sing | 1.08Å | 1.08Å | |
C21 | H15 | sing | 1.08Å | 1.08Å | |
C22 | H16 | sing | 1.08Å | 1.08Å | |
C30 | H17 | sing | 1.09Å | 1.10Å | |
C35 | H18 | sing | 1.09Å | 1.10Å | |
C6 | H19 | sing | 1.11Å | 1.10Å | |
C18 | H20 | sing | 1.08Å | 1.08Å | |
O24 | H21 | sing | 0.97Å | 0.95Å | |
C29 | H22 | sing | 1.10Å | 1.10Å | |
C29 | H23 | sing | 1.10Å | 1.10Å | |
N32 | H24 | sing | 0.97Å | 1.00Å | |
C37 | H25 | sing | 1.09Å | 1.10Å | |
C37 | H26 | sing | 1.09Å | 1.10Å | |
C38 | H27 | sing | 1.09Å | 1.10Å | |
C38 | H28 | sing | 1.09Å | 1.10Å | |
C39 | H29 | sing | 1.09Å | 1.10Å | |
C39 | H30 | sing | 1.09Å | 1.10Å | |
C43 | H31 | sing | 1.09Å | 1.10Å | |
C43 | H32 | sing | 1.09Å | 1.10Å | |
C43 | H33 | sing | 1.09Å | 1.10Å | |
N46 | H34 | sing | 0.99Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C43 | C41 | N40 | 114.6° | 120.0° |
C43 | C41 | O42 | 121.1° | 120.0° |
C41 | C43 | H31 | 109.5° | 109.4° |
C41 | C43 | H32 | 109.5° | 109.4° |
C41 | C43 | H33 | 109.4° | 109.5° |
C1 | N2 | C4 | 117.5° | 120.0° |
C1 | N2 | C3 | 116.6° | 120.0° |
N2 | C1 | H1 | 109.5° | 109.5° |
N2 | C1 | H2 | 109.5° | 109.5° |
N2 | C1 | H3 | 109.5° | 109.4° |
C38 | C39 | N40 | 104.5° | 107.3° |
C39 | C38 | C37 | 101.8° | 103.0° |
C39 | C38 | H27 | 111.4° | 110.7° |
C39 | C38 | H28 | 111.4° | 110.8° |
C38 | C39 | H29 | 110.7° | 109.8° |
C38 | C39 | H30 | 110.7° | 109.9° |
C39 | N40 | C41 | 121.7° | 125.7° |
C39 | N40 | C35 | 109.0° | 108.6° |
N40 | C39 | H29 | 110.7° | 109.9° |
N40 | C39 | H30 | 110.7° | 109.8° |
N40 | C41 | O42 | 124.3° | 120.0° |
C41 | N40 | C35 | 118.2° | 125.7° |
O5 | C4 | N2 | 120.5° | 120.0° |
O5 | C4 | C6 | 120.9° | 120.0° |
O25 | C23 | O24 | 125.7° | 120.0° |
O25 | C23 | C20 | 108.5° | 120.0° |
C38 | C37 | C35 | 101.9° | 101.6° |
C38 | C37 | H25 | 111.3° | 111.0° |
C38 | C37 | H26 | 111.4° | 111.1° |
C37 | C38 | H27 | 111.4° | 110.8° |
C37 | C38 | H28 | 111.4° | 110.7° |
N40 | C35 | C37 | 105.3° | 104.9° |
N40 | C35 | C33 | 105.5° | 110.3° |
N40 | C35 | H18 | 113.3° | 110.4° |
C4 | N2 | C3 | 125.9° | 120.0° |
N2 | C4 | C6 | 118.5° | 120.0° |
N2 | C3 | H4 | 109.5° | 109.4° |
N2 | C3 | H5 | 109.5° | 109.4° |
N2 | C3 | H6 | 109.5° | 109.4° |
C4 | C6 | C8 | 111.4° | 111.3° |
C4 | C6 | N46 | 100.5° | 113.1° |
C4 | C6 | H19 | 111.0° | 107.5° |
O24 | C23 | C20 | 125.8° | 119.9° |
C23 | O24 | H21 | 109.5° | 117.0° |
C23 | C20 | C21 | 117.1° | 120.0° |
C23 | C20 | C19 | 123.1° | 120.1° |
C37 | C35 | C33 | 106.8° | 110.4° |
C37 | C35 | H18 | 112.4° | 110.4° |
C35 | C37 | H25 | 111.4° | 111.0° |
C35 | C37 | H26 | 111.3° | 111.0° |
C35 | C33 | O34 | 122.2° | 120.0° |
C35 | C33 | N32 | 111.4° | 120.0° |
C33 | C35 | H18 | 112.9° | 110.3° |
O34 | C33 | N32 | 126.4° | 119.9° |
C8 | C6 | N46 | 111.0° | 109.8° |
C6 | C8 | S9 | 114.7° | 110.4° |
C6 | C8 | H7 | 108.1° | 109.5° |
C6 | C8 | H8 | 108.2° | 109.5° |
C8 | C6 | H19 | 110.6° | 107.3° |
C6 | N46 | C44 | 124.4° | 119.0° |
N46 | C6 | H19 | 112.0° | 107.7° |
C6 | N46 | H34 | 117.8° | 120.9° |
C33 | N32 | C30 | 119.4° | 120.0° |
C33 | N32 | H24 | 120.3° | 119.9° |
C21 | C20 | C19 | 119.8° | 119.9° |
C20 | C21 | C22 | 119.0° | 120.0° |
C20 | C21 | H15 | 120.5° | 120.0° |
C20 | C19 | C18 | 120.7° | 120.0° |
C20 | C19 | H14 | 119.6° | 120.0° |
C8 | S9 | C10 | 105.4° | 102.9° |
S9 | C8 | H7 | 108.1° | 109.3° |
S9 | C8 | H8 | 108.2° | 109.3° |
C21 | C22 | C17 | 122.0° | 120.0° |
C22 | C21 | H15 | 120.5° | 120.0° |
C21 | C22 | H16 | 119.0° | 120.0° |
N46 | C44 | C30 | 116.8° | 116.3° |
N46 | C44 | O45 | 122.2° | 124.1° |
C44 | N46 | H34 | 117.8° | 120.1° |
C19 | C18 | C17 | 119.5° | 120.0° |
C18 | C19 | H14 | 119.7° | 119.9° |
C19 | C18 | H20 | 120.2° | 120.0° |
N32 | C30 | C44 | 113.0° | 108.6° |
N32 | C30 | C29 | 112.0° | 109.3° |
N32 | C30 | H17 | 108.6° | 108.6° |
C30 | N32 | H24 | 120.3° | 120.0° |
C22 | C17 | C18 | 118.9° | 120.1° |
C22 | C17 | C16 | 117.1° | 119.9° |
C17 | C22 | H16 | 119.0° | 120.0° |
C30 | C44 | O45 | 121.0° | 119.5° |
C44 | C30 | C29 | 107.7° | 111.2° |
C44 | C30 | H17 | 107.6° | 109.0° |
S9 | C10 | C11 | 111.2° | 109.3° |
S9 | C10 | H9 | 109.1° | 109.7° |
S9 | C10 | H10 | 109.0° | 108.9° |
C10 | C11 | C16 | 117.4° | 121.4° |
C10 | C11 | C12 | 124.3° | 119.2° |
C11 | C10 | H9 | 109.0° | 111.8° |
C11 | C10 | H10 | 109.0° | 109.3° |
C18 | C17 | C16 | 124.0° | 119.9° |
C17 | C18 | H20 | 120.2° | 120.0° |
C30 | C29 | O28 | 111.5° | 113.0° |
C29 | C30 | H17 | 107.7° | 110.1° |
C30 | C29 | H22 | 108.9° | 108.8° |
C30 | C29 | H23 | 108.9° | 109.0° |
C17 | C16 | C11 | 124.2° | 121.4° |
C17 | C16 | C15 | 114.6° | 118.5° |
C16 | C11 | C12 | 118.3° | 119.4° |
C11 | C16 | C15 | 121.1° | 120.1° |
C11 | C12 | C26 | 128.6° | 121.6° |
C11 | C12 | C13 | 119.6° | 119.9° |
C16 | C15 | C14 | 119.4° | 120.2° |
C16 | C15 | H13 | 120.3° | 119.6° |
C29 | O28 | C26 | 115.7° | 122.1° |
O28 | C29 | H22 | 109.0° | 109.2° |
O28 | C29 | H23 | 108.9° | 109.2° |
O28 | C26 | C12 | 117.6° | 120.0° |
O28 | C26 | O27 | 122.7° | 120.8° |
C26 | C12 | C13 | 111.7° | 118.4° |
C12 | C26 | O27 | 119.8° | 119.2° |
C12 | C13 | C14 | 120.7° | 120.4° |
C12 | C13 | H11 | 119.6° | 119.8° |
C15 | C14 | C13 | 120.8° | 120.0° |
C15 | C14 | H12 | 119.6° | 119.8° |
C14 | C15 | H13 | 120.3° | 120.2° |
C14 | C13 | H11 | 119.6° | 119.8° |
C13 | C14 | H12 | 119.6° | 120.1° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.5° |
H4 | C3 | H5 | 109.4° | 109.5° |
H4 | C3 | H6 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.5° |
H7 | C8 | H8 | 109.5° | 108.8° |
H9 | C10 | H10 | 109.5° | 107.9° |
H22 | C29 | H23 | 109.5° | 107.4° |
H25 | C37 | H26 | 109.5° | 110.8° |
H27 | C38 | H28 | 109.5° | 110.6° |
H29 | C39 | H30 | 109.5° | 110.0° |
H31 | C43 | H32 | 109.5° | 109.5° |
H31 | C43 | H33 | 109.5° | 109.5° |
H32 | C43 | H33 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C43 | C41 | N40 | C39 | 36.6° | 0.1° |
C43 | C41 | N40 | O42 | 179.8° | 180.0° |
C43 | C41 | N40 | C35 | 176.4° | 179.8° |
C41 | C43 | H31 | H32 | 120.0° | 119.9° |
C41 | C43 | H31 | H33 | 120.0° | 120.0° |
C41 | C43 | H32 | H33 | 120.0° | 120.0° |
C1 | N2 | C4 | O5 | 2.0° | 0.0° |
C1 | N2 | C4 | C3 | 177.7° | 180.0° |
C1 | N2 | C4 | C6 | 175.8° | 180.0° |
N2 | C1 | H1 | H2 | 120.0° | 120.0° |
N2 | C1 | H1 | H3 | 120.0° | 120.0° |
N2 | C1 | H2 | H3 | 120.0° | 119.9° |
C1 | N2 | C3 | H4 | 180.0° | 90.0° |
C1 | N2 | C3 | H5 | 60.0° | 150.0° |
C1 | N2 | C3 | H6 | 60.0° | 30.0° |
C38 | C39 | N40 | H29 | 119.2° | 119.4° |
C38 | C39 | N40 | H30 | 119.2° | 119.4° |
C38 | C39 | N40 | C41 | 126.1° | 179.0° |
C39 | C38 | C37 | H27 | 118.7° | 118.4° |
C39 | C38 | C37 | H28 | 118.8° | 118.5° |
C38 | C39 | N40 | C35 | 16.9° | 0.9° |
C39 | C38 | C37 | C35 | 41.2° | 35.5° |
C39 | C38 | C37 | H25 | 160.0° | 82.6° |
C39 | C38 | C37 | H26 | 77.5° | 153.6° |
C39 | C38 | H27 | H28 | 123.6° | 123.2° |
C38 | C39 | H29 | H30 | 122.3° | 121.1° |
C39 | N40 | C41 | C35 | 139.8° | 179.9° |
C39 | N40 | C41 | O42 | 143.6° | 180.0° |
N40 | C39 | C38 | C37 | 36.2° | 22.2° |
C39 | N40 | C35 | C37 | 9.4° | 24.0° |
C39 | N40 | C35 | C33 | 122.1° | 142.9° |
C39 | N40 | C35 | H18 | 113.9° | 94.9° |
N40 | C39 | C38 | H27 | 82.5° | 140.7° |
N40 | C39 | C38 | H28 | 155.0° | 96.2° |
N40 | C39 | H29 | H30 | 122.3° | 121.1° |
C41 | N40 | C35 | C37 | 153.8° | 155.9° |
C41 | N40 | C35 | C33 | 93.4° | 37.0° |
C41 | N40 | C35 | H18 | 30.6° | 85.2° |
C41 | N40 | C39 | H29 | 114.7° | 59.6° |
C41 | N40 | C39 | H30 | 6.9° | 61.6° |
N40 | C41 | C43 | H31 | 179.8° | 90.0° |
N40 | C41 | C43 | H32 | 59.8° | 150.0° |
N40 | C41 | C43 | H33 | 60.2° | 30.0° |
O42 | C41 | N40 | C35 | 3.8° | 0.1° |
O42 | C41 | C43 | H31 | 0.0° | 90.0° |
O42 | C41 | C43 | H32 | 120.0° | 30.0° |
O42 | C41 | C43 | H33 | 120.0° | 150.0° |
O5 | C4 | N2 | C6 | 177.8° | 180.0° |
O5 | C4 | N2 | C3 | 179.7° | 180.0° |
O5 | C4 | C6 | C8 | 17.2° | 100.0° |
O5 | C4 | C6 | N46 | 100.5° | 24.2° |
O5 | C4 | C6 | H19 | 140.9° | 142.8° |
O25 | C23 | O24 | C20 | 179.6° | 180.0° |
O25 | C23 | C20 | C21 | 50.6° | 0.1° |
O25 | C23 | C20 | C19 | 128.3° | 180.0° |
O25 | C23 | O24 | H21 | 0.0° | 0.0° |
C38 | C37 | C35 | N40 | 31.6° | 36.9° |
C38 | C37 | C35 | H25 | 118.8° | 118.1° |
C38 | C37 | C35 | H26 | 118.8° | 118.1° |
C38 | C37 | C35 | C33 | 143.5° | 155.8° |
C38 | C37 | C35 | H18 | 92.2° | 81.9° |
C38 | C37 | H25 | H26 | 123.5° | 123.9° |
C37 | C38 | H27 | H28 | 123.6° | 123.2° |
C37 | C38 | C39 | H29 | 83.0° | 97.2° |
C37 | C38 | C39 | H30 | 155.4° | 141.6° |
N40 | C35 | C37 | C33 | 111.8° | 118.9° |
N40 | C35 | C37 | H18 | 123.8° | 118.9° |
N40 | C35 | C33 | H18 | 124.2° | 122.2° |
N40 | C35 | C33 | O34 | 50.7° | 17.1° |
N40 | C35 | C33 | N32 | 130.1° | 162.9° |
N40 | C35 | C37 | H25 | 150.4° | 81.2° |
N40 | C35 | C37 | H26 | 87.2° | 155.1° |
C35 | N40 | C39 | H29 | 102.3° | 120.3° |
C35 | N40 | C39 | H30 | 136.1° | 118.5° |
N2 | C4 | C6 | C8 | 165.1° | 80.0° |
N2 | C4 | C6 | N46 | 77.3° | 155.8° |
C4 | N2 | C1 | H1 | 180.0° | 0.0° |
C4 | N2 | C1 | H2 | 60.0° | 120.0° |
C4 | N2 | C1 | H3 | 60.0° | 120.0° |
C4 | N2 | C3 | H4 | 2.3° | 90.0° |
C4 | N2 | C3 | H5 | 117.7° | 30.0° |
C4 | N2 | C3 | H6 | 122.3° | 150.0° |
N2 | C4 | C6 | H19 | 41.3° | 37.2° |
C3 | N2 | C4 | C6 | 1.9° | 0.0° |
C3 | N2 | C1 | H1 | 2.1° | 180.0° |
C3 | N2 | C1 | H2 | 117.9° | 60.0° |
C3 | N2 | C1 | H3 | 122.1° | 60.0° |
N2 | C3 | H4 | H5 | 120.0° | 120.0° |
N2 | C3 | H4 | H6 | 120.0° | 119.9° |
N2 | C3 | H5 | H6 | 120.0° | 120.0° |
C4 | C6 | C8 | N46 | 111.1° | 126.0° |
C4 | C6 | C8 | H19 | 123.9° | 117.3° |
C4 | C6 | N46 | H19 | 117.9° | 118.6° |
C4 | C6 | C8 | S9 | 161.5° | 47.0° |
C4 | C6 | N46 | C44 | 132.4° | 50.1° |
C4 | C6 | C8 | H7 | 77.8° | 167.3° |
C4 | C6 | C8 | H8 | 40.7° | 73.4° |
C4 | C6 | N46 | H34 | 47.6° | 130.4° |
O24 | C23 | C20 | C21 | 129.1° | 180.0° |
O24 | C23 | C20 | C19 | 52.1° | 0.1° |
C23 | C20 | C21 | C19 | 178.9° | 179.9° |
C23 | C20 | C21 | C22 | 179.3° | 180.0° |
C23 | C20 | C19 | C18 | 178.6° | 179.9° |
C23 | C20 | C19 | H14 | 1.4° | 0.3° |
C23 | C20 | C21 | H15 | 0.7° | 0.1° |
C20 | C23 | O24 | H21 | 179.6° | 180.0° |
C37 | C35 | C33 | H18 | 124.0° | 122.3° |
C37 | C35 | C33 | O34 | 61.0° | 98.4° |
C37 | C35 | C33 | N32 | 118.1° | 81.5° |
C35 | C37 | H25 | H26 | 123.5° | 123.8° |
C35 | C37 | C38 | H27 | 77.5° | 153.9° |
C35 | C37 | C38 | H28 | 160.0° | 83.0° |
C35 | C33 | O34 | N32 | 179.1° | 179.9° |
C35 | C33 | N32 | C30 | 174.7° | 179.9° |
C35 | C33 | N32 | H24 | 5.3° | 0.0° |
C33 | C35 | C37 | H25 | 97.8° | 37.7° |
C33 | C35 | C37 | H26 | 24.7° | 86.0° |
O34 | C33 | N32 | C30 | 4.4° | 0.0° |
O34 | C33 | C35 | H18 | 174.9° | 139.3° |
O34 | C33 | N32 | H24 | 175.6° | 180.0° |
C8 | C6 | N46 | H19 | 124.2° | 116.5° |
C6 | C8 | S9 | H7 | 120.7° | 120.5° |
C6 | C8 | S9 | H8 | 120.8° | 120.5° |
C8 | C6 | N46 | C44 | 109.7° | 74.9° |
C6 | C8 | S9 | C10 | 90.3° | 136.6° |
C6 | C8 | H7 | H8 | 117.6° | 119.7° |
C8 | C6 | N46 | H34 | 70.4° | 104.7° |
N46 | C6 | C8 | S9 | 50.4° | 79.0° |
C6 | N46 | C44 | H34 | 180.0° | 179.5° |
C6 | N46 | C44 | C30 | 177.3° | 173.1° |
C6 | N46 | C44 | O45 | 5.0° | 7.3° |
N46 | C6 | C8 | H7 | 171.1° | 41.3° |
N46 | C6 | C8 | H8 | 70.4° | 160.6° |
C33 | N32 | C30 | H24 | 180.0° | 180.0° |
C33 | N32 | C30 | C44 | 77.5° | 83.5° |
C33 | N32 | C30 | C29 | 160.6° | 155.0° |
C33 | N32 | C30 | H17 | 41.8° | 34.9° |
N32 | C33 | C35 | H18 | 5.9° | 40.7° |
C20 | C21 | C22 | H15 | 180.0° | 179.9° |
C21 | C20 | C19 | C18 | 0.2° | 0.0° |
C20 | C21 | C22 | C17 | 1.0° | 0.1° |
C21 | C20 | C19 | H14 | 179.8° | 179.8° |
C20 | C21 | C22 | H16 | 179.0° | 180.0° |
C19 | C20 | C21 | C22 | 0.4° | 0.1° |
C20 | C19 | C18 | H14 | 180.0° | 179.7° |
C20 | C19 | C18 | C17 | 0.3° | 0.0° |
C19 | C20 | C21 | H15 | 179.6° | 180.0° |
C20 | C19 | C18 | H20 | 179.7° | 179.6° |
C8 | S9 | C10 | C11 | 174.0° | 160.9° |
S9 | C8 | H7 | H8 | 117.6° | 119.3° |
C8 | S9 | C10 | H9 | 53.7° | 76.3° |
C8 | S9 | C10 | H10 | 65.8° | 41.6° |
S9 | C8 | C6 | H19 | 74.6° | 164.2° |
C21 | C22 | C17 | H16 | 180.0° | 179.9° |
C21 | C22 | C17 | C18 | 0.9° | 0.1° |
C21 | C22 | C17 | C16 | 179.9° | 180.0° |
N46 | C44 | C30 | N32 | 5.3° | 63.8° |
N46 | C44 | C30 | O45 | 177.7° | 179.6° |
N46 | C44 | C30 | C29 | 118.9° | 175.8° |
N46 | C44 | C30 | H17 | 125.2° | 54.3° |
C44 | N46 | C6 | H19 | 14.5° | 168.6° |
C19 | C18 | C17 | C22 | 0.2° | 0.0° |
C19 | C18 | C17 | H20 | 180.0° | 179.6° |
C19 | C18 | C17 | C16 | 179.2° | 180.0° |
N32 | C30 | C44 | C29 | 124.2° | 120.4° |
N32 | C30 | C44 | H17 | 119.9° | 118.1° |
N32 | C30 | C44 | O45 | 177.0° | 115.8° |
N32 | C30 | C29 | H17 | 119.4° | 119.2° |
N32 | C30 | C29 | O28 | 94.2° | 159.8° |
N32 | C30 | C29 | H22 | 26.1° | 78.7° |
N32 | C30 | C29 | H23 | 145.4° | 38.2° |
C22 | C17 | C18 | C16 | 179.0° | 180.0° |
C22 | C17 | C16 | C11 | 72.5° | 130.0° |
C22 | C17 | C16 | C15 | 103.9° | 49.7° |
C17 | C22 | C21 | H15 | 179.0° | 180.0° |
C22 | C17 | C18 | H20 | 179.8° | 179.6° |
C44 | C30 | C29 | H17 | 115.8° | 120.9° |
C44 | C30 | C29 | O28 | 30.6° | 39.9° |
C44 | C30 | C29 | H22 | 150.9° | 161.4° |
C44 | C30 | C29 | H23 | 89.8° | 81.8° |
C44 | C30 | N32 | H24 | 102.5° | 96.5° |
C30 | C44 | N46 | H34 | 2.7° | 6.4° |
O45 | C44 | C30 | C29 | 58.8° | 4.5° |
O45 | C44 | C30 | H17 | 57.1° | 126.1° |
O45 | C44 | N46 | H34 | 175.0° | 173.2° |
S9 | C10 | C11 | H9 | 120.3° | 121.6° |
S9 | C10 | C11 | H10 | 120.2° | 119.1° |
S9 | C10 | C11 | C16 | 86.4° | 106.1° |
S9 | C10 | C11 | C12 | 91.3° | 73.4° |
C10 | S9 | C8 | H7 | 149.0° | 16.1° |
C10 | S9 | C8 | H8 | 30.5° | 102.9° |
S9 | C10 | H9 | H10 | 119.2° | 118.5° |
C10 | C11 | C16 | C17 | 4.5° | 0.1° |
C10 | C11 | C16 | C12 | 177.9° | 179.5° |
C10 | C11 | C16 | C15 | 179.3° | 179.6° |
C10 | C11 | C12 | C26 | 3.5° | 1.6° |
C10 | C11 | C12 | C13 | 179.2° | 179.1° |
C11 | C10 | H9 | H10 | 119.2° | 120.2° |
C18 | C17 | C16 | C11 | 108.5° | 50.0° |
C18 | C17 | C16 | C15 | 75.1° | 130.3° |
C17 | C18 | C19 | H14 | 179.7° | 179.7° |
C18 | C17 | C22 | H16 | 179.1° | 180.0° |
C30 | C29 | O28 | H22 | 120.3° | 121.3° |
C30 | C29 | O28 | H23 | 120.3° | 121.6° |
C30 | C29 | O28 | C26 | 156.0° | 34.6° |
C30 | C29 | H22 | H23 | 119.0° | 117.9° |
C29 | C30 | N32 | H24 | 19.3° | 25.0° |
C17 | C16 | C11 | C15 | 176.2° | 179.7° |
C17 | C16 | C11 | C12 | 177.6° | 179.6° |
C17 | C16 | C15 | C14 | 177.5° | 179.1° |
C17 | C16 | C15 | H13 | 2.5° | 0.6° |
C16 | C17 | C22 | H16 | 0.1° | 0.1° |
C16 | C17 | C18 | H20 | 0.8° | 0.4° |
C16 | C11 | C12 | C26 | 178.8° | 178.8° |
C16 | C11 | C12 | C13 | 1.4° | 0.4° |
C11 | C16 | C15 | C14 | 1.0° | 0.6° |
C16 | C11 | C10 | H9 | 33.8° | 15.5° |
C16 | C11 | C10 | H10 | 153.3° | 134.8° |
C11 | C16 | C15 | H13 | 179.0° | 179.7° |
C12 | C11 | C16 | C15 | 1.4° | 0.0° |
C11 | C12 | C26 | O28 | 19.2° | 145.5° |
C11 | C12 | C26 | C13 | 177.5° | 179.3° |
C11 | C12 | C26 | O27 | 160.3° | 36.5° |
C11 | C12 | C13 | C14 | 1.1° | 0.3° |
C12 | C11 | C10 | H9 | 148.4° | 165.0° |
C12 | C11 | C10 | H10 | 28.9° | 45.6° |
C11 | C12 | C13 | H11 | 178.9° | 179.7° |
C16 | C15 | C14 | H13 | 180.0° | 179.6° |
C16 | C15 | C14 | C13 | 0.7° | 0.7° |
C16 | C15 | C14 | H12 | 179.3° | 179.2° |
C29 | O28 | C26 | C12 | 153.7° | 177.4° |
C29 | O28 | C26 | O27 | 25.7° | 0.6° |
O28 | C29 | C30 | H17 | 146.4° | 81.0° |
O28 | C29 | H22 | H23 | 119.1° | 118.3° |
O28 | C26 | C12 | O27 | 179.5° | 178.1° |
O28 | C26 | C12 | C13 | 163.3° | 35.2° |
C26 | O28 | C29 | H22 | 35.7° | 86.7° |
C26 | O28 | C29 | H23 | 83.7° | 156.2° |
C26 | C12 | C13 | C14 | 178.9° | 178.9° |
C26 | C12 | C13 | H11 | 1.1° | 0.4° |
C12 | C13 | C14 | C15 | 0.7° | 0.2° |
C13 | C12 | C26 | O27 | 17.2° | 142.8° |
C12 | C13 | C14 | H11 | 180.0° | 179.4° |
C12 | C13 | C14 | H12 | 179.3° | 179.7° |
C15 | C14 | C13 | H12 | 180.0° | 179.9° |
C15 | C14 | C13 | H11 | 179.3° | 179.2° |
C13 | C14 | C15 | H13 | 179.4° | 179.7° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H4 | C3 | H5 | H6 | 120.0° | 120.1° |
H7 | C8 | C6 | H19 | 46.2° | 75.4° |
H8 | C8 | C6 | H19 | 164.6° | 43.9° |
H11 | C13 | C14 | H12 | 0.7° | 1.0° |
H12 | C14 | C15 | H13 | 0.6° | 0.5° |
H14 | C19 | C18 | H20 | 0.3° | 0.1° |
H15 | C21 | C22 | H16 | 1.0° | 0.1° |
H17 | C30 | C29 | H22 | 93.3° | 40.5° |
H17 | C30 | C29 | H23 | 26.1° | 157.4° |
H17 | C30 | N32 | H24 | 138.1° | 145.1° |
H18 | C35 | C37 | H25 | 26.6° | 160.0° |
H18 | C35 | C37 | H26 | 149.0° | 36.2° |
H19 | C6 | N46 | H34 | 165.5° | 11.8° |
H25 | C37 | C38 | H27 | 41.3° | 35.8° |
H25 | C37 | C38 | H28 | 81.2° | 158.9° |
H26 | C37 | C38 | H27 | 163.8° | 88.0° |
H26 | C37 | C38 | H28 | 41.3° | 35.1° |
H27 | C38 | C39 | H29 | 158.2° | 21.2° |
H27 | C38 | C39 | H30 | 36.7° | 99.9° |
H28 | C38 | C39 | H29 | 35.7° | 144.3° |
H28 | C38 | C39 | H30 | 85.8° | 23.2° |
H31 | C43 | H32 | H33 | 120.0° | 120.1° |