72M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N31 | C4 | sing | 1.38Å | 1.37Å | |
C4 | N2 | doub | 1.33Å | 1.38Å | Aromatic |
C4 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
N2 | C1 | sing | 1.32Å | 1.36Å | Aromatic |
N7 | C6 | sing | 1.35Å | 1.42Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
C6 | C5 | doub | 1.40Å | 1.46Å | Aromatic |
C1 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
C39 | C35 | sing | 1.51Å | 1.50Å | |
C8 | N9 | sing | 1.36Å | 1.43Å | Aromatic |
C5 | N3 | sing | 1.33Å | 1.37Å | Aromatic |
C5 | N9 | sing | 1.37Å | 1.41Å | Aromatic |
C36 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
C36 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
C35 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
N9 | C10 | sing | 1.47Å | 1.43Å | |
O20 | C18 | doub | 1.22Å | 1.25Å | |
C16 | N17 | sing | 1.46Å | 1.44Å | |
C16 | C15 | sing | 1.51Å | 1.49Å | |
C18 | N17 | sing | 1.35Å | 1.35Å | |
C18 | C19 | sing | 1.48Å | 1.49Å | |
C38 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
C37 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C32 | doub | 1.31Å | 1.33Å | |
O27 | C21 | sing | 1.36Å | 1.38Å | |
C19 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
C19 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
O13 | C10 | sing | 1.44Å | 1.44Å | |
O13 | C14 | sing | 1.44Å | 1.43Å | |
C10 | C12 | sing | 1.54Å | 1.56Å | |
C21 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
C32 | C14 | sing | 1.51Å | 1.48Å | |
C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
C33 | C26 | sing | 1.51Å | 1.50Å | |
C25 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
C24 | O28 | sing | 1.36Å | 1.38Å | |
C24 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | C11 | sing | 1.55Å | 1.53Å | |
C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
C23 | C26 | sing | 1.51Å | 1.50Å | |
C12 | O30 | sing | 1.43Å | 1.40Å | |
C12 | C11 | sing | 1.55Å | 1.55Å | |
C11 | O29 | sing | 1.43Å | 1.42Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C22 | H4 | sing | 1.08Å | 1.08Å | |
C26 | H5 | sing | 1.09Å | 1.10Å | |
C26 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H7 | sing | 1.08Å | 1.08Å | |
C11 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C14 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C16 | H12 | sing | 1.09Å | 1.10Å | |
N17 | H13 | sing | 0.97Å | 1.00Å | |
C25 | H14 | sing | 1.08Å | 1.08Å | |
O27 | H15 | sing | 0.97Å | 0.95Å | |
O28 | H16 | sing | 0.97Å | 0.95Å | |
O29 | H17 | sing | 0.97Å | 0.95Å | |
O30 | H18 | sing | 0.97Å | 0.95Å | |
N31 | H19 | sing | 0.97Å | 1.00Å | |
N31 | H20 | sing | 0.97Å | 1.00Å | |
C32 | H21 | sing | 1.08Å | 1.08Å | |
C34 | H22 | sing | 1.08Å | 1.08Å | |
C36 | H23 | sing | 1.08Å | 1.08Å | |
C37 | H24 | sing | 1.08Å | 1.08Å | |
C38 | H25 | sing | 1.08Å | 1.08Å | |
C39 | H26 | sing | 1.09Å | 1.10Å | |
C39 | H27 | sing | 1.09Å | 1.10Å | |
C39 | H28 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N31 | C4 | N2 | 120.7° | 120.8° |
N31 | C4 | C6 | 119.9° | 120.7° |
C4 | N31 | H19 | 109.5° | 120.0° |
C4 | N31 | H20 | 109.5° | 120.1° |
N2 | C4 | C6 | 119.3° | 118.5° |
C4 | N2 | C1 | 118.2° | 121.2° |
C4 | C6 | N7 | 133.5° | 134.7° |
C4 | C6 | C5 | 115.9° | 118.1° |
N2 | C1 | N3 | 129.2° | 122.5° |
N2 | C1 | H7 | 115.4° | 118.7° |
C6 | N7 | C8 | 104.9° | 109.4° |
N7 | C6 | C5 | 110.5° | 107.2° |
N7 | C8 | N9 | 113.4° | 110.0° |
N7 | C8 | H1 | 123.3° | 125.0° |
C6 | C5 | N3 | 124.5° | 119.1° |
C6 | C5 | N9 | 104.3° | 106.0° |
C1 | N3 | C5 | 112.9° | 120.7° |
N3 | C1 | H7 | 115.4° | 118.8° |
C39 | C35 | C36 | 121.0° | 120.0° |
C39 | C35 | C37 | 121.3° | 120.0° |
C35 | C39 | H26 | 109.5° | 109.5° |
C35 | C39 | H27 | 109.4° | 109.5° |
C35 | C39 | H28 | 109.5° | 109.5° |
C8 | N9 | C5 | 106.8° | 107.5° |
C8 | N9 | C10 | 128.6° | 126.3° |
N9 | C8 | H1 | 123.3° | 125.1° |
N3 | C5 | N9 | 131.2° | 134.9° |
C5 | N9 | C10 | 124.4° | 126.3° |
C35 | C36 | C38 | 121.5° | 120.0° |
C36 | C35 | C37 | 117.6° | 120.0° |
C35 | C36 | H23 | 119.2° | 120.0° |
C36 | C38 | C33 | 120.6° | 120.0° |
C38 | C36 | H23 | 119.2° | 120.0° |
C36 | C38 | H25 | 119.7° | 120.0° |
C35 | C37 | C34 | 120.8° | 120.0° |
C35 | C37 | H24 | 119.6° | 120.0° |
N9 | C10 | O13 | 108.0° | 110.0° |
N9 | C10 | C12 | 116.2° | 109.9° |
N9 | C10 | H2 | 109.4° | 109.9° |
O20 | C18 | N17 | 116.3° | 120.0° |
O20 | C18 | C19 | 122.1° | 120.0° |
N17 | C16 | C15 | 109.6° | 109.5° |
C16 | N17 | C18 | 118.1° | 120.0° |
N17 | C16 | H11 | 109.4° | 109.5° |
N17 | C16 | H12 | 109.4° | 109.5° |
C16 | N17 | H13 | 121.0° | 120.0° |
C16 | C15 | C32 | 124.0° | 120.0° |
C16 | C15 | H3 | 118.0° | 120.0° |
C15 | C16 | H11 | 109.4° | 109.4° |
C15 | C16 | H12 | 109.5° | 109.5° |
N17 | C18 | C19 | 121.7° | 120.0° |
C18 | N17 | H13 | 121.0° | 120.0° |
C18 | C19 | C21 | 120.3° | 120.1° |
C18 | C19 | C25 | 120.0° | 120.2° |
C38 | C33 | C34 | 118.1° | 120.0° |
C38 | C33 | C26 | 121.5° | 120.0° |
C33 | C38 | H25 | 119.7° | 120.0° |
C37 | C34 | C33 | 121.3° | 120.0° |
C37 | C34 | H22 | 119.3° | 120.0° |
C34 | C37 | H24 | 119.6° | 120.0° |
C15 | C32 | C14 | 118.8° | 120.0° |
C32 | C15 | H3 | 118.0° | 120.0° |
C15 | C32 | H21 | 120.6° | 120.1° |
O27 | C21 | C19 | 127.9° | 120.2° |
O27 | C21 | C24 | 112.8° | 120.2° |
C21 | O27 | H15 | 109.5° | 114.0° |
C21 | C19 | C25 | 119.7° | 119.7° |
C19 | C21 | C24 | 119.2° | 119.6° |
C19 | C25 | C23 | 120.2° | 120.0° |
C19 | C25 | H14 | 119.9° | 120.0° |
C10 | O13 | C14 | 109.3° | 107.0° |
O13 | C10 | C12 | 105.9° | 107.3° |
O13 | C10 | H2 | 109.3° | 109.9° |
O13 | C14 | C32 | 113.1° | 110.6° |
O13 | C14 | C11 | 105.2° | 103.5° |
O13 | C14 | H10 | 110.0° | 110.5° |
C10 | C12 | O30 | 106.3° | 110.5° |
C10 | C12 | C11 | 99.5° | 104.2° |
C12 | C10 | H2 | 107.8° | 109.9° |
C10 | C12 | H9 | 110.1° | 110.5° |
C21 | C24 | O28 | 121.8° | 120.0° |
C21 | C24 | C22 | 120.2° | 120.0° |
C32 | C14 | C11 | 110.6° | 110.6° |
C32 | C14 | H10 | 109.2° | 110.7° |
C14 | C32 | H21 | 120.6° | 119.9° |
C34 | C33 | C26 | 120.5° | 120.0° |
C33 | C34 | H22 | 119.4° | 120.0° |
C33 | C26 | C23 | 118.1° | 109.5° |
C33 | C26 | H5 | 107.3° | 109.5° |
C33 | C26 | H6 | 107.3° | 109.5° |
C25 | C23 | C22 | 119.8° | 120.3° |
C25 | C23 | C26 | 122.6° | 119.8° |
C23 | C25 | H14 | 119.9° | 120.0° |
O28 | C24 | C22 | 118.0° | 120.0° |
C24 | O28 | H16 | 109.5° | 114.0° |
C24 | C22 | C23 | 120.9° | 120.4° |
C24 | C22 | H4 | 119.5° | 119.9° |
C14 | C11 | C12 | 99.9° | 102.1° |
C14 | C11 | O29 | 108.7° | 110.9° |
C14 | C11 | H8 | 111.5° | 110.9° |
C11 | C14 | H10 | 108.6° | 110.6° |
C22 | C23 | C26 | 117.6° | 119.9° |
C23 | C22 | H4 | 119.6° | 119.8° |
C23 | C26 | H5 | 107.3° | 109.5° |
C23 | C26 | H6 | 107.3° | 109.5° |
O30 | C12 | C11 | 116.9° | 110.5° |
O30 | C12 | H9 | 112.6° | 110.4° |
C12 | O30 | H18 | 109.5° | 114.0° |
C12 | C11 | O29 | 111.3° | 110.9° |
C12 | C11 | H8 | 111.3° | 110.9° |
C11 | C12 | H9 | 110.4° | 110.6° |
O29 | C11 | H8 | 113.4° | 110.8° |
C11 | O29 | H17 | 109.5° | 114.0° |
H5 | C26 | H6 | 109.5° | 109.5° |
H11 | C16 | H12 | 109.5° | 109.4° |
H19 | N31 | H20 | 109.5° | 120.0° |
H26 | C39 | H27 | 109.5° | 109.5° |
H26 | C39 | H28 | 109.4° | 109.4° |
H27 | C39 | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N31 | C4 | N2 | C6 | 179.3° | 180.0° |
N31 | C4 | N2 | C1 | 179.4° | 180.0° |
N31 | C4 | C6 | N7 | 0.8° | 0.0° |
N31 | C4 | C6 | C5 | 179.8° | 180.0° |
C4 | N31 | H19 | H20 | 120.0° | 179.9° |
N2 | C4 | C6 | N7 | 179.9° | 179.9° |
N2 | C4 | C6 | C5 | 0.9° | 0.0° |
C4 | N2 | C1 | N3 | 0.8° | 0.1° |
C4 | N2 | C1 | H7 | 179.2° | 180.0° |
N2 | C4 | N31 | H19 | 0.0° | 0.1° |
N2 | C4 | N31 | H20 | 120.0° | 180.0° |
C6 | C4 | N2 | C1 | 0.1° | 0.1° |
C4 | C6 | N7 | C5 | 179.0° | 179.9° |
C4 | C6 | N7 | C8 | 179.1° | 180.0° |
C4 | C6 | C5 | N3 | 1.2° | 0.1° |
C4 | C6 | C5 | N9 | 179.6° | 180.0° |
C6 | C4 | N31 | H19 | 179.2° | 180.0° |
C6 | C4 | N31 | H20 | 59.2° | 0.0° |
N2 | C1 | N3 | H7 | 180.0° | 179.9° |
N2 | C1 | N3 | C5 | 0.6° | 0.0° |
C6 | N7 | C8 | N9 | 1.1° | 0.0° |
N7 | C6 | C5 | N3 | 179.6° | 180.0° |
N7 | C6 | C5 | N9 | 1.2° | 0.0° |
C6 | N7 | C8 | H1 | 178.9° | 180.0° |
C8 | N7 | C6 | C5 | 0.1° | 0.1° |
N7 | C8 | N9 | H1 | 180.0° | 179.9° |
N7 | C8 | N9 | C5 | 1.9° | 0.0° |
N7 | C8 | N9 | C10 | 173.4° | 180.0° |
C6 | C5 | N3 | C1 | 0.4° | 0.1° |
C6 | C5 | N9 | C8 | 1.8° | 0.0° |
C6 | C5 | N3 | N9 | 178.0° | 179.9° |
C6 | C5 | N9 | C10 | 173.8° | 180.0° |
C1 | N3 | C5 | N9 | 178.4° | 180.0° |
C39 | C35 | C36 | C37 | 178.9° | 179.5° |
C39 | C35 | C36 | C38 | 179.8° | 179.7° |
C39 | C35 | C37 | C34 | 179.2° | 180.0° |
C39 | C35 | C36 | H23 | 0.2° | 0.5° |
C39 | C35 | C37 | H24 | 0.8° | 0.0° |
C35 | C39 | H26 | H27 | 120.0° | 120.0° |
C35 | C39 | H26 | H28 | 120.0° | 120.0° |
C35 | C39 | H27 | H28 | 120.0° | 120.1° |
C8 | N9 | C5 | N3 | 179.9° | 179.9° |
C8 | N9 | C5 | C10 | 175.6° | 180.0° |
C8 | N9 | C10 | O13 | 72.0° | 22.9° |
C8 | N9 | C10 | C12 | 46.9° | 95.0° |
C8 | N9 | C10 | H2 | 169.1° | 144.0° |
N3 | C5 | N9 | C10 | 4.5° | 0.0° |
C5 | N3 | C1 | H7 | 179.4° | 180.0° |
C5 | N9 | C10 | O13 | 102.6° | 157.1° |
C5 | N9 | C10 | C12 | 138.6° | 85.0° |
C5 | N9 | C8 | H1 | 178.0° | 179.9° |
C5 | N9 | C10 | H2 | 16.3° | 36.0° |
C35 | C36 | C38 | H23 | 180.0° | 179.2° |
C35 | C36 | C38 | C33 | 0.8° | 0.5° |
C36 | C35 | C37 | C34 | 0.4° | 0.5° |
C36 | C35 | C37 | H24 | 179.6° | 179.5° |
C35 | C36 | C38 | H25 | 179.3° | 180.0° |
C36 | C35 | C39 | H26 | 89.4° | 89.5° |
C36 | C35 | C39 | H27 | 150.6° | 30.5° |
C36 | C35 | C39 | H28 | 30.6° | 150.5° |
C38 | C36 | C35 | C37 | 0.9° | 0.8° |
C36 | C38 | C33 | H25 | 180.0° | 179.4° |
C36 | C38 | C33 | C34 | 0.0° | 0.0° |
C36 | C38 | C33 | C26 | 179.5° | 179.7° |
C35 | C37 | C34 | H24 | 180.0° | 180.0° |
C35 | C37 | C34 | C33 | 0.4° | 0.1° |
C35 | C37 | C34 | H22 | 179.6° | 180.0° |
C37 | C35 | C36 | H23 | 179.0° | 180.0° |
C37 | C35 | C39 | H26 | 89.4° | 90.0° |
C37 | C35 | C39 | H27 | 30.6° | 150.0° |
C37 | C35 | C39 | H28 | 150.6° | 29.9° |
N9 | C10 | O13 | C12 | 125.2° | 119.5° |
N9 | C10 | O13 | H2 | 119.0° | 121.1° |
N9 | C10 | O13 | C14 | 131.9° | 146.0° |
N9 | C10 | C12 | H2 | 123.1° | 121.0° |
N9 | C10 | C12 | O30 | 86.7° | 119.8° |
N9 | C10 | C12 | C11 | 151.4° | 121.6° |
C10 | N9 | C8 | H1 | 6.6° | 0.1° |
N9 | C10 | C12 | H9 | 35.5° | 2.8° |
O20 | C18 | N17 | C16 | 7.9° | 0.0° |
O20 | C18 | N17 | C19 | 179.8° | 180.0° |
O20 | C18 | C19 | C21 | 150.0° | 0.1° |
O20 | C18 | C19 | C25 | 27.8° | 180.0° |
O20 | C18 | N17 | H13 | 172.1° | 180.0° |
N17 | C16 | C15 | H11 | 120.0° | 120.0° |
N17 | C16 | C15 | H12 | 120.0° | 120.1° |
C16 | N17 | C18 | H13 | 180.0° | 180.0° |
C16 | N17 | C18 | C19 | 172.2° | 180.0° |
N17 | C16 | C15 | C32 | 143.7° | 125.0° |
N17 | C16 | C15 | H3 | 36.3° | 55.0° |
N17 | C16 | H11 | H12 | 119.9° | 120.0° |
C15 | C16 | N17 | C18 | 157.0° | 180.0° |
C16 | C15 | C32 | H3 | 180.0° | 179.9° |
C16 | C15 | C32 | C14 | 178.8° | 180.0° |
C15 | C16 | H11 | H12 | 120.0° | 120.0° |
C15 | C16 | N17 | H13 | 22.9° | 0.1° |
C16 | C15 | C32 | H21 | 1.2° | 0.0° |
N17 | C18 | C19 | C21 | 29.8° | 180.0° |
N17 | C18 | C19 | C25 | 152.4° | 0.0° |
C18 | N17 | C16 | H11 | 83.0° | 60.0° |
C18 | N17 | C16 | H12 | 37.0° | 59.9° |
C18 | C19 | C21 | O27 | 1.2° | 0.3° |
C18 | C19 | C21 | C25 | 177.9° | 179.9° |
C18 | C19 | C21 | C24 | 178.5° | 179.9° |
C18 | C19 | C25 | C23 | 178.6° | 179.9° |
C19 | C18 | N17 | H13 | 7.8° | 0.0° |
C18 | C19 | C25 | H14 | 1.4° | 0.0° |
C38 | C33 | C34 | C37 | 0.6° | 0.4° |
C38 | C33 | C34 | C26 | 179.5° | 179.7° |
C38 | C33 | C26 | C23 | 82.5° | 90.3° |
C38 | C33 | C26 | H5 | 38.7° | 149.7° |
C38 | C33 | C26 | H6 | 156.2° | 29.7° |
C38 | C33 | C34 | H22 | 179.4° | 179.8° |
C33 | C38 | C36 | H23 | 179.2° | 179.7° |
C37 | C34 | C33 | H22 | 180.0° | 179.9° |
C37 | C34 | C33 | C26 | 178.9° | 180.0° |
C15 | C32 | C14 | O13 | 93.9° | 6.5° |
C15 | C32 | C14 | H21 | 180.0° | 180.0° |
C15 | C32 | C14 | C11 | 148.4° | 120.5° |
C15 | C32 | C14 | H10 | 28.9° | 116.4° |
C32 | C15 | C16 | H11 | 96.3° | 115.0° |
C32 | C15 | C16 | H12 | 23.7° | 4.9° |
O27 | C21 | C19 | C24 | 179.7° | 179.7° |
O27 | C21 | C19 | C25 | 179.1° | 179.7° |
O27 | C21 | C24 | O28 | 0.9° | 0.2° |
O27 | C21 | C24 | C22 | 179.7° | 179.7° |
C21 | C19 | C25 | C23 | 0.7° | 0.0° |
C19 | C21 | C24 | O28 | 179.4° | 180.0° |
C19 | C21 | C24 | C22 | 0.0° | 0.0° |
C21 | C19 | C25 | H14 | 179.2° | 180.0° |
C19 | C21 | O27 | H15 | 180.0° | 90.3° |
C25 | C19 | C21 | C24 | 0.6° | 0.0° |
C19 | C25 | C23 | H14 | 180.0° | 179.9° |
C19 | C25 | C23 | C22 | 0.3° | 0.1° |
C19 | C25 | C23 | C26 | 178.3° | 180.0° |
O13 | C10 | C12 | H2 | 116.9° | 119.4° |
C10 | O13 | C14 | C32 | 99.2° | 158.6° |
C10 | O13 | C14 | C11 | 21.6° | 40.0° |
O13 | C10 | C12 | O30 | 153.3° | 120.7° |
O13 | C10 | C12 | C11 | 31.5° | 2.0° |
O13 | C10 | C12 | H9 | 84.4° | 116.8° |
C10 | O13 | C14 | H10 | 138.4° | 78.4° |
C14 | O13 | C10 | C12 | 6.7° | 26.5° |
O13 | C14 | C32 | C11 | 117.7° | 114.1° |
O13 | C14 | C32 | H10 | 122.8° | 122.9° |
O13 | C14 | C11 | H10 | 117.7° | 118.4° |
O13 | C14 | C11 | C12 | 40.8° | 37.0° |
O13 | C14 | C11 | O29 | 75.8° | 155.2° |
C14 | O13 | C10 | H2 | 109.1° | 92.9° |
O13 | C14 | C11 | H8 | 158.5° | 81.2° |
O13 | C14 | C32 | H21 | 86.1° | 173.6° |
C10 | C12 | C11 | C14 | 42.5° | 20.9° |
C10 | C12 | O30 | C11 | 110.0° | 114.8° |
C10 | C12 | O30 | H9 | 120.6° | 122.6° |
C10 | C12 | C11 | H9 | 115.7° | 118.8° |
C10 | C12 | C11 | O29 | 72.2° | 139.1° |
C10 | C12 | C11 | H8 | 160.3° | 97.4° |
C10 | C12 | O30 | H18 | 180.0° | 180.0° |
C21 | C24 | O28 | C22 | 179.5° | 179.9° |
C21 | C24 | C22 | C23 | 0.4° | 0.1° |
C21 | C24 | C22 | H4 | 179.7° | 180.0° |
C24 | C21 | O27 | H15 | 0.3° | 89.9° |
C21 | C24 | O28 | H16 | 180.0° | 90.0° |
C32 | C14 | C11 | H10 | 119.9° | 123.1° |
C32 | C14 | C11 | C12 | 81.6° | 155.5° |
C32 | C14 | C11 | O29 | 161.8° | 86.3° |
C14 | C32 | C15 | H3 | 1.2° | 0.0° |
C32 | C14 | C11 | H8 | 36.1° | 37.2° |
C34 | C33 | C26 | C23 | 98.0° | 90.0° |
C34 | C33 | C26 | H5 | 140.8° | 29.9° |
C34 | C33 | C26 | H6 | 23.3° | 150.0° |
C33 | C34 | C37 | H24 | 179.6° | 179.9° |
C34 | C33 | C38 | H25 | 180.0° | 179.4° |
C33 | C26 | C23 | C25 | 93.7° | 89.9° |
C33 | C26 | C23 | C22 | 87.7° | 90.0° |
C33 | C26 | C23 | H5 | 121.2° | 120.0° |
C33 | C26 | C23 | H6 | 121.2° | 120.0° |
C33 | C26 | H5 | H6 | 116.1° | 120.0° |
C26 | C33 | C34 | H22 | 1.1° | 0.1° |
C26 | C33 | C38 | H25 | 0.5° | 0.3° |
C25 | C23 | C22 | C24 | 0.2° | 0.1° |
C25 | C23 | C22 | C26 | 178.7° | 179.9° |
C25 | C23 | C22 | H4 | 179.8° | 180.0° |
C25 | C23 | C26 | H5 | 27.6° | 30.1° |
C25 | C23 | C26 | H6 | 145.1° | 150.1° |
O28 | C24 | C22 | C23 | 179.8° | 180.0° |
O28 | C24 | C22 | H4 | 0.2° | 0.1° |
C24 | C22 | C23 | H4 | 180.0° | 179.9° |
C24 | C22 | C23 | C26 | 178.9° | 180.0° |
C22 | C24 | O28 | H16 | 0.6° | 90.0° |
C14 | C11 | C12 | O30 | 156.4° | 97.8° |
C14 | C11 | C12 | O29 | 114.7° | 118.2° |
C14 | C11 | C12 | H8 | 117.8° | 118.3° |
C14 | C11 | O29 | H8 | 124.6° | 123.6° |
C14 | C11 | C12 | H9 | 73.2° | 139.6° |
C14 | C11 | O29 | H17 | 180.0° | 64.4° |
C11 | C14 | C32 | H21 | 31.6° | 59.5° |
C22 | C23 | C26 | H5 | 151.1° | 150.0° |
C22 | C23 | C26 | H6 | 33.5° | 30.0° |
C22 | C23 | C25 | H14 | 179.6° | 180.0° |
C26 | C23 | C22 | H4 | 1.1° | 0.1° |
C23 | C26 | H5 | H6 | 116.1° | 120.0° |
C26 | C23 | C25 | H14 | 1.8° | 0.1° |
O30 | C12 | C11 | H9 | 130.4° | 122.6° |
O30 | C12 | C11 | O29 | 41.7° | 20.4° |
O30 | C12 | C10 | H2 | 36.4° | 1.2° |
O30 | C12 | C11 | H8 | 85.8° | 143.9° |
C12 | C11 | O29 | H8 | 126.4° | 123.6° |
C11 | C12 | C10 | H2 | 85.4° | 117.4° |
C12 | C11 | C14 | H10 | 158.5° | 81.4° |
C12 | C11 | O29 | H17 | 71.0° | 177.1° |
C11 | C12 | O30 | H18 | 69.9° | 65.3° |
O29 | C11 | C12 | H9 | 172.1° | 102.2° |
O29 | C11 | C14 | H10 | 41.9° | 36.8° |
H2 | C10 | C12 | H9 | 158.7° | 123.8° |
H3 | C15 | C16 | H11 | 83.7° | 65.1° |
H3 | C15 | C16 | H12 | 156.3° | 175.0° |
H3 | C15 | C32 | H21 | 178.8° | 180.0° |
H8 | C11 | C12 | H9 | 44.6° | 21.4° |
H8 | C11 | C14 | H10 | 83.8° | 160.3° |
H8 | C11 | O29 | H17 | 55.4° | 59.2° |
H9 | C12 | O30 | H18 | 59.4° | 57.4° |
H10 | C14 | C32 | H21 | 151.0° | 63.5° |
H11 | C16 | N17 | H13 | 97.1° | 120.0° |
H12 | C16 | N17 | H13 | 143.0° | 120.0° |
H22 | C34 | C37 | H24 | 0.4° | 0.0° |
H23 | C36 | C38 | H25 | 0.8° | 0.9° |
H26 | C39 | H27 | H28 | 120.0° | 119.9° |