H3U
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O32 | C26 | doub | 1.22Å | 1.18Å | |
O4 | C2 | doub | 1.22Å | 1.18Å | |
O30 | S21 | doub | 1.42Å | 1.65Å | |
C26 | C33 | sing | 1.48Å | 1.55Å | |
C26 | N19 | sing | 1.35Å | 1.47Å | |
C33 | C38 | doub | 1.40Å | 1.38Å | Aromatic |
C33 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
C38 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
C37 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
C40 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C12 | C15 | sing | 1.36Å | 1.40Å | Aromatic |
C7 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
C39 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
C39 | N41 | sing | 1.40Å | 1.46Å | |
C2 | C5 | sing | 1.48Å | 1.59Å | |
C2 | N1 | sing | 1.35Å | 1.47Å | |
C5 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
C5 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
C9 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
C8 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
C13 | N19 | sing | 1.40Å | 1.47Å | |
C14 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
C20 | C27 | sing | 1.51Å | 1.53Å | |
S21 | O29 | doub | 1.42Å | 1.66Å | |
S21 | C15 | sing | 1.76Å | 1.83Å | |
S21 | O28 | sing | 1.52Å | 1.64Å | |
C15 | C10 | doub | 1.41Å | 1.44Å | Aromatic |
N1 | C3 | sing | 1.39Å | 1.50Å | |
C3 | C6 | doub | 1.41Å | 1.45Å | Aromatic |
O25 | S17 | doub | 1.42Å | 1.65Å | |
C10 | C6 | sing | 1.42Å | 1.37Å | Aromatic |
C10 | C16 | sing | 1.41Å | 1.43Å | Aromatic |
C6 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
C16 | C22 | doub | 1.36Å | 1.40Å | Aromatic |
C11 | S17 | sing | 1.76Å | 1.82Å | |
C11 | C18 | doub | 1.36Å | 1.41Å | Aromatic |
S17 | O23 | doub | 1.42Å | 1.63Å | |
S17 | O24 | sing | 1.52Å | 1.67Å | |
C22 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
C22 | S31 | sing | 1.76Å | 1.84Å | |
O34 | S31 | doub | 1.42Å | 1.67Å | |
S31 | O35 | doub | 1.42Å | 1.65Å | |
S31 | O36 | sing | 1.52Å | 1.64Å | |
C18 | H1 | sing | 1.08Å | 1.08Å | |
C16 | H2 | sing | 1.08Å | 1.08Å | |
C12 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
N1 | H5 | sing | 0.97Å | 1.00Å | |
C8 | H6 | sing | 1.08Å | 1.08Å | |
C9 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.08Å | 1.08Å | |
C27 | H9 | sing | 1.09Å | 1.10Å | |
C27 | H10 | sing | 1.09Å | 1.10Å | |
C27 | H11 | sing | 1.09Å | 1.10Å | |
N19 | H12 | sing | 0.97Å | 1.00Å | |
C37 | H13 | sing | 1.08Å | 1.08Å | |
C38 | H14 | sing | 1.08Å | 1.08Å | |
C40 | H15 | sing | 1.08Å | 1.08Å | |
C42 | H16 | sing | 1.08Å | 1.08Å | |
N41 | H17 | sing | 0.97Å | 1.00Å | |
N41 | H18 | sing | 0.97Å | 1.00Å | |
O36 | H19 | sing | 0.97Å | 0.95Å | |
O24 | H20 | sing | 0.97Å | 0.95Å | |
O28 | H21 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O32 | C26 | C33 | 121.3° | 120.0° |
O32 | C26 | N19 | 121.6° | 120.0° |
O4 | C2 | C5 | 123.1° | 120.0° |
O4 | C2 | N1 | 122.3° | 120.0° |
O30 | S21 | O29 | 109.6° | 123.2° |
O30 | S21 | C15 | 109.3° | 106.4° |
O30 | S21 | O28 | 108.9° | 106.4° |
C33 | C26 | N19 | 117.2° | 120.0° |
C26 | C33 | C38 | 119.0° | 120.1° |
C26 | C33 | C37 | 120.8° | 120.2° |
C26 | N19 | C13 | 125.2° | 120.0° |
C26 | N19 | H12 | 117.4° | 120.0° |
C38 | C33 | C37 | 120.2° | 119.7° |
C33 | C38 | C40 | 120.1° | 120.0° |
C33 | C38 | H14 | 120.0° | 120.0° |
C33 | C37 | C39 | 119.7° | 119.8° |
C33 | C37 | H13 | 120.1° | 120.1° |
C38 | C40 | C42 | 119.7° | 120.3° |
C40 | C38 | H14 | 119.9° | 120.0° |
C38 | C40 | H15 | 120.1° | 119.9° |
C37 | C39 | C42 | 120.0° | 120.0° |
C37 | C39 | N41 | 120.0° | 120.0° |
C39 | C37 | H13 | 120.1° | 120.1° |
C40 | C42 | C39 | 120.4° | 120.2° |
C42 | C40 | H15 | 120.2° | 119.8° |
C40 | C42 | H16 | 119.8° | 119.9° |
C7 | C12 | C15 | 118.9° | 121.1° |
C12 | C7 | C3 | 119.5° | 120.7° |
C7 | C12 | H3 | 120.5° | 119.5° |
C12 | C7 | H4 | 120.2° | 119.6° |
C12 | C15 | S21 | 118.4° | 120.0° |
C12 | C15 | C10 | 122.1° | 119.9° |
C15 | C12 | H3 | 120.5° | 119.4° |
C7 | C3 | N1 | 116.5° | 120.3° |
C7 | C3 | C6 | 120.9° | 119.4° |
C3 | C7 | H4 | 120.3° | 119.7° |
C42 | C39 | N41 | 120.1° | 120.0° |
C39 | C42 | H16 | 119.8° | 119.9° |
C39 | N41 | H17 | 109.5° | 120.0° |
C39 | N41 | H18 | 109.5° | 120.0° |
C5 | C2 | N1 | 114.6° | 120.0° |
C2 | C5 | C9 | 126.9° | 120.1° |
C2 | C5 | C8 | 112.5° | 120.1° |
C2 | N1 | C3 | 123.5° | 120.0° |
C2 | N1 | H5 | 118.2° | 120.0° |
C9 | C5 | C8 | 120.6° | 119.8° |
C5 | C9 | C14 | 118.3° | 120.0° |
C5 | C9 | H7 | 120.9° | 120.0° |
C5 | C8 | C13 | 121.4° | 119.8° |
C5 | C8 | H6 | 119.3° | 120.1° |
C9 | C14 | C20 | 121.2° | 120.2° |
C14 | C9 | H7 | 120.9° | 120.0° |
C9 | C14 | H8 | 119.4° | 119.9° |
C8 | C13 | C20 | 119.2° | 120.0° |
C8 | C13 | N19 | 116.3° | 120.0° |
C13 | C8 | H6 | 119.3° | 120.1° |
C20 | C13 | N19 | 124.5° | 120.0° |
C13 | C20 | C14 | 119.4° | 120.2° |
C13 | C20 | C27 | 120.2° | 119.9° |
C13 | N19 | H12 | 117.4° | 120.0° |
C14 | C20 | C27 | 120.4° | 119.9° |
C20 | C14 | H8 | 119.4° | 119.9° |
C20 | C27 | H9 | 109.5° | 109.4° |
C20 | C27 | H10 | 109.4° | 109.5° |
C20 | C27 | H11 | 109.5° | 109.4° |
O29 | S21 | C15 | 110.2° | 106.4° |
O29 | S21 | O28 | 109.6° | 106.4° |
C15 | S21 | O28 | 109.1° | 107.2° |
S21 | C15 | C10 | 119.4° | 120.1° |
S21 | O28 | H21 | 109.5° | 114.0° |
C15 | C10 | C6 | 119.3° | 119.5° |
C15 | C10 | C16 | 119.1° | 121.2° |
N1 | C3 | C6 | 122.4° | 120.3° |
C3 | N1 | H5 | 118.3° | 120.0° |
C3 | C6 | C10 | 119.3° | 119.4° |
C3 | C6 | C11 | 122.0° | 121.3° |
O25 | S17 | C11 | 109.6° | 106.4° |
O25 | S17 | O23 | 110.6° | 123.1° |
O25 | S17 | O24 | 108.5° | 106.4° |
C6 | C10 | C16 | 121.7° | 119.4° |
C10 | C6 | C11 | 118.7° | 119.4° |
C10 | C16 | C22 | 119.1° | 119.6° |
C10 | C16 | H2 | 120.4° | 120.2° |
C6 | C11 | S17 | 119.7° | 120.2° |
C6 | C11 | C18 | 120.9° | 119.7° |
C16 | C22 | C18 | 120.5° | 120.9° |
C16 | C22 | S31 | 120.1° | 119.5° |
C22 | C16 | H2 | 120.5° | 120.2° |
S17 | C11 | C18 | 119.4° | 120.2° |
C11 | S17 | O23 | 109.2° | 106.4° |
C11 | S17 | O24 | 109.2° | 107.2° |
C11 | C18 | C22 | 119.1° | 121.0° |
C11 | C18 | H1 | 120.4° | 119.5° |
O23 | S17 | O24 | 109.7° | 106.4° |
S17 | O24 | H20 | 109.5° | 114.0° |
C18 | C22 | S31 | 119.4° | 119.5° |
C22 | C18 | H1 | 120.4° | 119.5° |
C22 | S31 | O34 | 108.9° | 106.4° |
C22 | S31 | O35 | 108.9° | 106.4° |
C22 | S31 | O36 | 108.0° | 107.2° |
O34 | S31 | O35 | 110.3° | 123.1° |
O34 | S31 | O36 | 110.1° | 106.4° |
O35 | S31 | O36 | 110.5° | 106.4° |
S31 | O36 | H19 | 109.5° | 114.0° |
H9 | C27 | H10 | 109.4° | 109.5° |
H9 | C27 | H11 | 109.5° | 109.5° |
H10 | C27 | H11 | 109.5° | 109.5° |
H17 | N41 | H18 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O32 | C26 | C33 | N19 | 180.0° | 179.9° |
O32 | C26 | C33 | C38 | 132.3° | 180.0° |
O32 | C26 | C33 | C37 | 48.5° | 0.4° |
O32 | C26 | N19 | C13 | 0.6° | 5.3° |
O32 | C26 | N19 | H12 | 179.4° | 174.6° |
O4 | C2 | C5 | N1 | 178.4° | 180.0° |
O4 | C2 | C5 | C9 | 45.7° | 175.8° |
O4 | C2 | C5 | C8 | 133.7° | 4.0° |
O4 | C2 | N1 | C3 | 3.0° | 5.3° |
O4 | C2 | N1 | H5 | 177.0° | 174.8° |
O30 | S21 | C15 | C12 | 4.5° | 143.5° |
O30 | S21 | O29 | C15 | 120.3° | 122.9° |
O30 | S21 | O29 | O28 | 119.5° | 123.0° |
O30 | S21 | C15 | O28 | 119.0° | 113.5° |
O30 | S21 | C15 | C10 | 175.4° | 36.5° |
O30 | S21 | O28 | H21 | 0.0° | 66.5° |
C26 | C33 | C38 | C37 | 179.2° | 179.7° |
C26 | C33 | C38 | C40 | 179.8° | 179.9° |
C26 | C33 | C37 | C39 | 179.7° | 179.9° |
C33 | C26 | N19 | C13 | 179.4° | 174.6° |
C33 | C26 | N19 | H12 | 0.6° | 5.5° |
C26 | C33 | C37 | H13 | 0.3° | 0.1° |
C26 | C33 | C38 | H14 | 0.2° | 0.1° |
N19 | C26 | C33 | C38 | 47.7° | 0.1° |
N19 | C26 | C33 | C37 | 131.5° | 179.8° |
C26 | N19 | C13 | C8 | 133.0° | 32.0° |
C26 | N19 | C13 | C20 | 48.0° | 148.1° |
C26 | N19 | C13 | H12 | 180.0° | 179.9° |
C33 | C38 | C40 | H14 | 180.0° | 180.0° |
C38 | C33 | C37 | C39 | 0.5° | 0.2° |
C33 | C38 | C40 | C42 | 0.3° | 0.0° |
C38 | C33 | C37 | H13 | 179.5° | 179.8° |
C33 | C38 | C40 | H15 | 179.7° | 180.0° |
C37 | C33 | C38 | C40 | 0.6° | 0.2° |
C33 | C37 | C39 | H13 | 180.0° | 180.0° |
C33 | C37 | C39 | C42 | 0.2° | 0.0° |
C33 | C37 | C39 | N41 | 179.8° | 179.9° |
C37 | C33 | C38 | H14 | 179.4° | 179.8° |
C38 | C40 | C42 | H15 | 180.0° | 180.0° |
C38 | C40 | C42 | C39 | 0.1° | 0.3° |
C38 | C40 | C42 | H16 | 179.9° | 180.0° |
C37 | C39 | C42 | C40 | 0.0° | 0.3° |
C37 | C39 | C42 | N41 | 180.0° | 179.9° |
C37 | C39 | C42 | H16 | 180.0° | 180.0° |
C37 | C39 | N41 | H17 | 180.0° | 0.1° |
C37 | C39 | N41 | H18 | 60.0° | 180.0° |
C40 | C42 | C39 | H16 | 180.0° | 179.7° |
C40 | C42 | C39 | N41 | 180.0° | 179.8° |
C42 | C40 | C38 | H14 | 179.6° | 180.0° |
C7 | C12 | C15 | H3 | 180.0° | 180.0° |
C12 | C7 | C3 | H4 | 180.0° | 180.0° |
C7 | C12 | C15 | S21 | 179.8° | 180.0° |
C7 | C12 | C15 | C10 | 0.1° | 0.1° |
C12 | C7 | C3 | N1 | 177.4° | 179.9° |
C12 | C7 | C3 | C6 | 2.5° | 0.0° |
C15 | C12 | C7 | C3 | 1.3° | 0.0° |
C12 | C15 | S21 | O29 | 116.0° | 83.5° |
C12 | C15 | S21 | C10 | 179.9° | 180.0° |
C12 | C15 | S21 | O28 | 123.5° | 30.0° |
C12 | C15 | C10 | C6 | 0.3° | 0.1° |
C12 | C15 | C10 | C16 | 180.0° | 179.2° |
C15 | C12 | C7 | H4 | 178.7° | 180.0° |
C7 | C3 | N1 | C2 | 23.0° | 53.4° |
C7 | C3 | N1 | C6 | 174.8° | 179.9° |
C7 | C3 | C6 | C10 | 2.3° | 0.0° |
C7 | C3 | C6 | C11 | 179.2° | 180.0° |
C3 | C7 | C12 | H3 | 178.7° | 180.0° |
C7 | C3 | N1 | H5 | 157.0° | 126.5° |
C42 | C39 | C37 | H13 | 179.8° | 180.0° |
C39 | C42 | C40 | H15 | 179.9° | 179.7° |
C42 | C39 | N41 | H17 | 0.0° | 180.0° |
C42 | C39 | N41 | H18 | 120.0° | 0.1° |
N41 | C39 | C37 | H13 | 0.3° | 0.1° |
N41 | C39 | C42 | H16 | 0.0° | 0.1° |
C39 | N41 | H17 | H18 | 120.0° | 179.9° |
C2 | C5 | C9 | C8 | 179.4° | 179.8° |
C2 | C5 | C9 | C14 | 179.9° | 180.0° |
C2 | C5 | C8 | C13 | 179.8° | 180.0° |
C5 | C2 | N1 | C3 | 175.4° | 174.8° |
C5 | C2 | N1 | H5 | 4.6° | 5.2° |
C2 | C5 | C8 | H6 | 0.2° | 0.0° |
C2 | C5 | C9 | H7 | 0.1° | 0.0° |
N1 | C2 | C5 | C9 | 135.9° | 4.2° |
N1 | C2 | C5 | C8 | 44.7° | 176.1° |
C2 | N1 | C3 | H5 | 180.0° | 179.9° |
C2 | N1 | C3 | C6 | 162.2° | 126.7° |
C5 | C9 | C14 | H7 | 180.0° | 180.0° |
C9 | C5 | C8 | C13 | 0.3° | 0.2° |
C5 | C9 | C14 | C20 | 0.4° | 0.0° |
C9 | C5 | C8 | H6 | 179.7° | 179.7° |
C5 | C9 | C14 | H8 | 179.7° | 180.0° |
C8 | C5 | C9 | C14 | 0.5° | 0.3° |
C5 | C8 | C13 | H6 | 180.0° | 180.0° |
C5 | C8 | C13 | C20 | 0.1° | 0.1° |
C5 | C8 | C13 | N19 | 179.3° | 180.0° |
C8 | C5 | C9 | H7 | 179.5° | 179.8° |
C9 | C14 | C20 | C13 | 0.1° | 0.3° |
C9 | C14 | C20 | H8 | 180.0° | 180.0° |
C9 | C14 | C20 | C27 | 179.8° | 180.0° |
C8 | C13 | C20 | N19 | 179.0° | 179.9° |
C8 | C13 | C20 | C14 | 0.3° | 0.3° |
C8 | C13 | C20 | C27 | 179.9° | 180.0° |
C8 | C13 | N19 | H12 | 47.0° | 148.1° |
C13 | C20 | C14 | C27 | 179.8° | 179.7° |
C20 | C13 | C8 | H6 | 179.9° | 180.0° |
C13 | C20 | C14 | H8 | 179.9° | 179.7° |
C13 | C20 | C27 | H9 | 90.1° | 90.3° |
C13 | C20 | C27 | H10 | 149.9° | 29.7° |
C13 | C20 | C27 | H11 | 29.9° | 149.7° |
C20 | C13 | N19 | H12 | 132.0° | 31.8° |
N19 | C13 | C20 | C14 | 179.4° | 179.8° |
N19 | C13 | C20 | C27 | 0.9° | 0.0° |
N19 | C13 | C8 | H6 | 0.7° | 0.1° |
C20 | C14 | C9 | H7 | 179.6° | 180.0° |
C14 | C20 | C27 | H9 | 90.1° | 90.0° |
C14 | C20 | C27 | H10 | 29.9° | 150.0° |
C14 | C20 | C27 | H11 | 149.9° | 30.0° |
C27 | C20 | C14 | H8 | 0.1° | 0.0° |
C20 | C27 | H9 | H10 | 120.0° | 120.0° |
C20 | C27 | H9 | H11 | 120.0° | 119.9° |
C20 | C27 | H10 | H11 | 120.0° | 120.0° |
O29 | S21 | C15 | O28 | 120.4° | 113.5° |
O29 | S21 | C15 | C10 | 64.1° | 96.4° |
O29 | S21 | O28 | H21 | 120.0° | 66.5° |
S21 | C15 | C10 | C6 | 179.6° | 180.0° |
S21 | C15 | C10 | C16 | 0.1° | 0.9° |
S21 | C15 | C12 | H3 | 0.2° | 0.0° |
C15 | S21 | O28 | H21 | 119.3° | 180.0° |
O28 | S21 | C15 | C10 | 56.4° | 150.0° |
C15 | C10 | C6 | C3 | 0.9° | 0.0° |
C15 | C10 | C6 | C16 | 179.6° | 179.1° |
C15 | C10 | C6 | C11 | 179.4° | 180.0° |
C15 | C10 | C16 | C22 | 179.8° | 179.7° |
C15 | C10 | C16 | H2 | 0.2° | 0.3° |
C10 | C15 | C12 | H3 | 179.9° | 180.0° |
N1 | C3 | C6 | C10 | 176.8° | 179.9° |
N1 | C3 | C6 | C11 | 4.7° | 0.1° |
N1 | C3 | C7 | H4 | 2.6° | 0.1° |
C3 | C6 | C10 | C11 | 178.5° | 180.0° |
C3 | C6 | C10 | C16 | 178.8° | 179.2° |
C3 | C6 | C11 | S17 | 2.3° | 0.6° |
C3 | C6 | C11 | C18 | 179.8° | 179.5° |
C6 | C3 | C7 | H4 | 177.5° | 180.0° |
C6 | C3 | N1 | H5 | 17.8° | 53.4° |
O25 | S17 | C11 | C6 | 44.3° | 74.3° |
O25 | S17 | C11 | O23 | 121.2° | 132.9° |
O25 | S17 | C11 | O24 | 118.7° | 113.5° |
O25 | S17 | C11 | C18 | 133.6° | 105.7° |
O25 | S17 | O23 | O24 | 119.6° | 122.9° |
O25 | S17 | O24 | H20 | 0.0° | 66.5° |
C6 | C10 | C16 | C22 | 0.6° | 0.6° |
C10 | C6 | C11 | S17 | 179.2° | 179.5° |
C10 | C6 | C11 | C18 | 1.3° | 0.5° |
C6 | C10 | C16 | H2 | 179.5° | 179.4° |
C16 | C10 | C6 | C11 | 0.2° | 0.8° |
C10 | C16 | C22 | H2 | 180.0° | 180.0° |
C10 | C16 | C22 | C18 | 0.3° | 0.0° |
C10 | C16 | C22 | S31 | 179.6° | 179.7° |
C6 | C11 | S17 | C18 | 177.9° | 180.0° |
C6 | C11 | S17 | O23 | 76.9° | 58.6° |
C6 | C11 | S17 | O24 | 163.1° | 172.2° |
C6 | C11 | C18 | C22 | 1.6° | 0.0° |
C6 | C11 | C18 | H1 | 178.4° | 180.0° |
C16 | C22 | C18 | C11 | 0.8° | 0.3° |
C16 | C22 | C18 | S31 | 179.9° | 179.7° |
C16 | C22 | S31 | O34 | 42.5° | 156.2° |
C16 | C22 | S31 | O35 | 77.9° | 23.3° |
C16 | C22 | S31 | O36 | 162.0° | 90.2° |
C16 | C22 | C18 | H1 | 179.2° | 179.7° |
C11 | S17 | O23 | O24 | 119.7° | 114.1° |
S17 | C11 | C18 | C22 | 179.5° | 180.0° |
S17 | C11 | C18 | H1 | 0.5° | 0.0° |
C11 | S17 | O24 | H20 | 119.4° | 180.0° |
C18 | C11 | S17 | O23 | 105.1° | 121.4° |
C18 | C11 | S17 | O24 | 14.9° | 7.8° |
C11 | C18 | C22 | H1 | 180.0° | 180.0° |
C11 | C18 | C22 | S31 | 179.4° | 180.0° |
O23 | S17 | O24 | H20 | 120.9° | 66.4° |
C18 | C22 | S31 | O34 | 137.4° | 23.6° |
C18 | C22 | S31 | O35 | 102.3° | 156.4° |
C18 | C22 | S31 | O36 | 17.8° | 90.0° |
C18 | C22 | C16 | H2 | 179.7° | 180.0° |
C22 | S31 | O34 | O35 | 119.5° | 122.9° |
C22 | S31 | O34 | O36 | 118.3° | 114.1° |
C22 | S31 | O35 | O36 | 118.5° | 114.1° |
S31 | C22 | C18 | H1 | 0.6° | 0.0° |
S31 | C22 | C16 | H2 | 0.4° | 0.3° |
C22 | S31 | O36 | H19 | 119.1° | 180.0° |
O34 | S31 | O35 | O36 | 122.0° | 123.0° |
O34 | S31 | O36 | H19 | 122.1° | 66.5° |
O35 | S31 | O36 | H19 | 0.0° | 66.4° |
H3 | C12 | C7 | H4 | 1.3° | 0.0° |
H7 | C9 | C14 | H8 | 0.3° | 0.0° |
H9 | C27 | H10 | H11 | 120.0° | 120.1° |
H14 | C38 | C40 | H15 | 0.4° | 0.0° |
H15 | C40 | C42 | H16 | 0.1° | 0.0° |