POF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | S1 | doub | 1.42Å | 1.42Å | |
O3 | C1 | sing | 1.36Å | 1.42Å | |
O3 | S1 | sing | 1.52Å | 1.62Å | |
O4 | C17 | doub | 1.21Å | 1.23Å | |
O2 | S1 | doub | 1.42Å | 1.43Å | |
C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
N1 | S1 | sing | 1.66Å | 1.57Å | |
C3 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
C3 | C7 | sing | 1.51Å | 1.52Å | |
C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
C4 | C10 | sing | 1.50Å | 1.55Å | |
C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
C7 | C8 | sing | 1.53Å | 1.55Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C9 | C10 | sing | 1.53Å | 1.57Å | |
C9 | C11 | sing | 1.53Å | 1.57Å | |
C10 | C14 | sing | 1.53Å | 1.55Å | |
C11 | C12 | sing | 1.54Å | 1.59Å | |
C11 | C16 | sing | 1.53Å | 1.56Å | |
C12 | C13 | sing | 1.53Å | 1.56Å | |
C12 | C15 | sing | 1.53Å | 1.57Å | |
C12 | C18 | sing | 1.50Å | 1.54Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C16 | C17 | sing | 1.51Å | 1.51Å | |
C17 | N2 | sing | 1.34Å | 1.47Å | |
N2 | C18 | sing | 1.34Å | 1.49Å | |
N2 | C19 | sing | 1.47Å | 1.53Å | |
C18 | O5 | doub | 1.21Å | 1.25Å | |
C19 | C20 | sing | 1.51Å | 1.47Å | |
C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
C20 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
C21 | C22 | sing | 1.39Å | 1.48Å | Aromatic |
C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
N3 | C24 | doub | 1.32Å | 1.42Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N1 | HN1A | sing | 0.97Å | 1.00Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C15 | H15B | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | S1 | O3 | 105.9° | 106.4° |
O1 | S1 | O2 | 120.2° | 123.2° |
O1 | S1 | N1 | 108.3° | 106.4° |
C1 | O3 | S1 | 119.6° | 114.0° |
O3 | C1 | C2 | 122.1° | 120.2° |
O3 | C1 | C6 | 116.2° | 120.2° |
O3 | S1 | O2 | 105.2° | 106.4° |
O3 | S1 | N1 | 107.1° | 107.2° |
O4 | C17 | C16 | 117.5° | 119.3° |
O4 | C17 | N2 | 124.4° | 119.3° |
O2 | S1 | N1 | 109.4° | 106.4° |
C2 | C1 | C6 | 121.7° | 119.7° |
C1 | C2 | C3 | 119.4° | 120.6° |
C1 | C2 | H2 | 120.3° | 119.7° |
C1 | C6 | C5 | 119.2° | 119.7° |
C1 | C6 | H6 | 120.4° | 120.1° |
C2 | C3 | C4 | 120.2° | 119.5° |
C2 | C3 | C7 | 118.8° | 117.7° |
C3 | C2 | H2 | 120.3° | 119.7° |
S1 | N1 | HN1 | 109.5° | 120.0° |
S1 | N1 | HN1A | 109.4° | 120.0° |
C4 | C3 | C7 | 121.0° | 122.8° |
C3 | C4 | C5 | 117.7° | 119.9° |
C3 | C4 | C10 | 121.3° | 121.9° |
C3 | C7 | C8 | 112.9° | 111.2° |
C3 | C7 | H7 | 108.3° | 109.1° |
C3 | C7 | H7A | 107.6° | 109.1° |
C5 | C4 | C10 | 121.0° | 118.3° |
C4 | C5 | C6 | 121.8° | 120.7° |
C4 | C5 | H5 | 119.1° | 119.7° |
C4 | C10 | C9 | 112.8° | 110.3° |
C4 | C10 | C14 | 113.7° | 111.5° |
C4 | C10 | H10 | 103.7° | 108.7° |
C6 | C5 | H5 | 119.1° | 119.7° |
C5 | C6 | H6 | 120.4° | 120.2° |
C7 | C8 | C9 | 110.2° | 108.2° |
C8 | C7 | H7 | 108.4° | 109.2° |
C8 | C7 | H7A | 107.6° | 109.1° |
C7 | C8 | H8 | 109.2° | 109.7° |
C7 | C8 | H8A | 109.0° | 109.7° |
C8 | C9 | C10 | 108.6° | 108.2° |
C8 | C9 | C11 | 113.7° | 111.1° |
C9 | C8 | H8 | 109.2° | 109.7° |
C9 | C8 | H8A | 109.1° | 109.8° |
C8 | C9 | H9 | 106.8° | 109.5° |
C10 | C9 | C11 | 108.1° | 108.7° |
C9 | C10 | C14 | 108.4° | 109.5° |
C10 | C9 | H9 | 112.5° | 109.6° |
C9 | C10 | H10 | 109.5° | 108.7° |
C9 | C11 | C12 | 111.7° | 108.4° |
C9 | C11 | C16 | 113.5° | 110.6° |
C11 | C9 | H9 | 107.3° | 109.7° |
C9 | C11 | H11 | 104.8° | 109.7° |
C10 | C14 | C13 | 111.7° | 109.2° |
C14 | C10 | H10 | 108.5° | 108.0° |
C10 | C14 | H14 | 108.7° | 109.5° |
C10 | C14 | H14A | 108.2° | 109.5° |
C12 | C11 | C16 | 108.9° | 108.3° |
C11 | C12 | C13 | 109.3° | 109.7° |
C11 | C12 | C15 | 111.9° | 109.3° |
C11 | C12 | C18 | 109.8° | 108.9° |
C12 | C11 | H11 | 109.8° | 109.6° |
C11 | C16 | C17 | 113.3° | 108.8° |
C16 | C11 | H11 | 107.9° | 110.1° |
C11 | C16 | H16 | 108.2° | 109.6° |
C11 | C16 | H16A | 107.3° | 109.6° |
C13 | C12 | C15 | 109.2° | 109.3° |
C13 | C12 | C18 | 111.7° | 110.7° |
C12 | C13 | C14 | 113.7° | 109.6° |
C12 | C13 | H13 | 108.1° | 109.4° |
C12 | C13 | H13A | 107.1° | 109.4° |
C15 | C12 | C18 | 105.0° | 108.9° |
C12 | C15 | H15 | 109.5° | 109.5° |
C12 | C15 | H15A | 109.5° | 109.4° |
C12 | C15 | H15B | 109.5° | 109.5° |
C12 | C18 | N2 | 119.2° | 120.7° |
C12 | C18 | O5 | 119.0° | 119.7° |
C14 | C13 | H13 | 108.1° | 109.4° |
C14 | C13 | H13A | 107.1° | 109.5° |
C13 | C14 | H14 | 108.7° | 109.5° |
C13 | C14 | H14A | 108.2° | 109.6° |
C16 | C17 | N2 | 118.1° | 121.5° |
C17 | C16 | H16 | 108.2° | 109.6° |
C17 | C16 | H16A | 107.4° | 109.6° |
C17 | N2 | C18 | 121.8° | 122.7° |
C17 | N2 | C19 | 119.2° | 118.6° |
C18 | N2 | C19 | 119.0° | 118.7° |
N2 | C18 | O5 | 121.8° | 119.7° |
N2 | C19 | C20 | 116.7° | 109.5° |
N2 | C19 | H19 | 107.1° | 109.5° |
N2 | C19 | H19A | 105.5° | 109.5° |
C19 | C20 | C21 | 123.3° | 120.4° |
C19 | C20 | C24 | 120.5° | 120.4° |
C20 | C19 | H19 | 107.1° | 109.5° |
C20 | C19 | H19A | 105.4° | 109.5° |
C21 | C20 | C24 | 116.3° | 119.2° |
C20 | C21 | C22 | 121.7° | 118.4° |
C20 | C21 | H21 | 119.2° | 120.7° |
C20 | C24 | N3 | 120.3° | 120.7° |
C20 | C24 | H24 | 119.9° | 119.7° |
C21 | C22 | C23 | 118.2° | 119.1° |
C22 | C21 | H21 | 119.1° | 120.8° |
C21 | C22 | H22 | 120.9° | 120.4° |
C22 | C23 | N3 | 119.7° | 120.8° |
C23 | C22 | H22 | 120.9° | 120.4° |
C22 | C23 | H23 | 120.2° | 119.6° |
C23 | N3 | C24 | 123.9° | 121.8° |
N3 | C23 | H23 | 120.1° | 119.6° |
N3 | C24 | H24 | 119.9° | 119.6° |
HN1 | N1 | HN1A | 109.5° | 120.0° |
H7 | C7 | H7A | 112.2° | 109.1° |
H8 | C8 | H8A | 110.0° | 109.8° |
H13 | C13 | H13A | 112.9° | 109.4° |
H14 | C14 | H14A | 111.2° | 109.6° |
H15 | C15 | H15A | 109.4° | 109.5° |
H15 | C15 | H15B | 109.5° | 109.4° |
H15A | C15 | H15B | 109.5° | 109.5° |
H16 | C16 | H16A | 112.5° | 109.6° |
H19 | C19 | H19A | 115.3° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | S1 | O3 | C1 | 42.7° | 38.5° |
O1 | S1 | O3 | O2 | 128.2° | 132.9° |
O1 | S1 | O3 | N1 | 115.4° | 113.5° |
O1 | S1 | O2 | N1 | 126.1° | 123.0° |
O1 | S1 | N1 | HN1 | 138.5° | 6.5° |
O1 | S1 | N1 | HN1A | 18.4° | 173.5° |
C1 | O3 | S1 | O2 | 85.5° | 171.4° |
O3 | C1 | C2 | C6 | 179.7° | 179.7° |
O3 | C1 | C2 | C3 | 179.7° | 180.0° |
C1 | O3 | S1 | N1 | 158.1° | 75.0° |
O3 | C1 | C6 | C5 | 179.7° | 180.0° |
O3 | C1 | C2 | H2 | 0.3° | 0.0° |
O3 | C1 | C6 | H6 | 0.3° | 0.3° |
O3 | S1 | O2 | N1 | 114.8° | 114.0° |
S1 | O3 | C1 | C2 | 68.1° | 89.9° |
S1 | O3 | C1 | C6 | 111.7° | 90.3° |
O3 | S1 | N1 | HN1 | 24.7° | 120.0° |
O3 | S1 | N1 | HN1A | 95.4° | 60.0° |
O4 | C17 | C16 | C11 | 150.8° | 152.1° |
O4 | C17 | C16 | N2 | 179.6° | 180.0° |
O4 | C17 | N2 | C18 | 179.9° | 179.4° |
O4 | C17 | N2 | C19 | 0.1° | 0.6° |
O4 | C17 | C16 | H16 | 89.3° | 88.1° |
O4 | C17 | C16 | H16A | 32.4° | 32.3° |
O2 | S1 | N1 | HN1 | 88.9° | 126.5° |
O2 | S1 | N1 | HN1A | 151.1° | 53.5° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.0° | 0.4° |
C1 | C2 | C3 | C7 | 179.7° | 178.9° |
C2 | C1 | C6 | C5 | 0.0° | 0.3° |
C2 | C1 | C6 | H6 | 180.0° | 180.0° |
C6 | C1 | C2 | C3 | 0.0° | 0.2° |
C1 | C6 | C5 | C4 | 0.0° | 0.6° |
C1 | C6 | C5 | H6 | 180.0° | 179.7° |
C6 | C1 | C2 | H2 | 180.0° | 179.7° |
C1 | C6 | C5 | H5 | 179.9° | 179.7° |
C2 | C3 | C4 | C7 | 179.7° | 179.3° |
C2 | C3 | C4 | C5 | 0.0° | 0.7° |
C2 | C3 | C4 | C10 | 179.5° | 178.6° |
C2 | C3 | C7 | C8 | 161.3° | 164.3° |
C2 | C3 | C7 | H7 | 78.7° | 75.2° |
C2 | C3 | C7 | H7A | 42.8° | 43.9° |
S1 | N1 | HN1 | HN1A | 120.0° | 180.0° |
C3 | C4 | C5 | C10 | 179.6° | 179.3° |
C3 | C4 | C5 | C6 | 0.1° | 0.8° |
C4 | C3 | C7 | C8 | 18.3° | 16.4° |
C3 | C4 | C10 | C9 | 14.7° | 21.1° |
C3 | C4 | C10 | C14 | 138.8° | 143.0° |
C4 | C3 | C2 | H2 | 180.0° | 179.5° |
C3 | C4 | C5 | H5 | 179.9° | 179.5° |
C4 | C3 | C7 | H7 | 101.7° | 104.1° |
C4 | C3 | C7 | H7A | 136.8° | 136.8° |
C3 | C4 | C10 | H10 | 103.6° | 98.1° |
C7 | C3 | C4 | C5 | 179.7° | 178.7° |
C7 | C3 | C4 | C10 | 0.1° | 2.0° |
C3 | C7 | C8 | H7 | 120.0° | 120.5° |
C3 | C7 | C8 | H7A | 118.5° | 120.4° |
C3 | C7 | C8 | C9 | 51.8° | 49.1° |
C7 | C3 | C2 | H2 | 0.3° | 1.1° |
C3 | C7 | H7 | H7A | 118.6° | 119.1° |
C3 | C7 | C8 | H8 | 171.8° | 168.7° |
C3 | C7 | C8 | H8A | 67.9° | 70.6° |
C4 | C5 | C6 | H5 | 180.0° | 179.8° |
C5 | C4 | C10 | C9 | 165.7° | 159.6° |
C5 | C4 | C10 | C14 | 41.7° | 37.7° |
C4 | C5 | C6 | H6 | 180.0° | 179.7° |
C5 | C4 | C10 | H10 | 75.9° | 81.3° |
C10 | C4 | C5 | C6 | 179.5° | 178.6° |
C4 | C10 | C9 | C8 | 46.7° | 54.0° |
C4 | C10 | C9 | C14 | 126.9° | 123.1° |
C4 | C10 | C9 | H10 | 114.9° | 119.1° |
C4 | C10 | C9 | C11 | 170.5° | 174.8° |
C4 | C10 | C14 | H10 | 114.8° | 119.4° |
C4 | C10 | C14 | C13 | 173.8° | 177.3° |
C10 | C4 | C5 | H5 | 0.5° | 1.2° |
C4 | C10 | C9 | H9 | 71.2° | 65.3° |
C4 | C10 | C14 | H14 | 53.8° | 57.5° |
C4 | C10 | C14 | H14A | 67.1° | 62.7° |
C7 | C8 | C9 | H8 | 120.0° | 119.6° |
C7 | C8 | C9 | H8A | 119.7° | 119.7° |
C7 | C8 | C9 | C10 | 66.3° | 69.8° |
C7 | C8 | C9 | C11 | 173.4° | 170.9° |
C8 | C7 | H7 | H7A | 118.6° | 119.2° |
C7 | C8 | H8 | H8A | 119.7° | 120.6° |
C7 | C8 | C9 | H9 | 55.3° | 49.6° |
C8 | C9 | C10 | C11 | 123.7° | 120.8° |
C8 | C9 | C10 | H9 | 118.0° | 119.3° |
C8 | C9 | C11 | H9 | 117.8° | 121.2° |
C8 | C9 | C10 | C14 | 173.6° | 177.1° |
C8 | C9 | C11 | C12 | 178.2° | 179.1° |
C8 | C9 | C11 | C16 | 54.6° | 60.5° |
C9 | C8 | C7 | H7 | 68.2° | 71.4° |
C9 | C8 | C7 | H7A | 170.3° | 169.4° |
C9 | C8 | H8 | H8A | 119.7° | 120.7° |
C8 | C9 | C10 | H10 | 68.2° | 65.1° |
C8 | C9 | C11 | H11 | 62.9° | 61.2° |
C10 | C9 | C11 | H9 | 121.6° | 119.8° |
C9 | C10 | C14 | H10 | 118.9° | 118.2° |
C10 | C9 | C11 | C12 | 61.2° | 61.9° |
C10 | C9 | C11 | C16 | 175.2° | 179.4° |
C9 | C10 | C14 | C13 | 59.8° | 60.3° |
C10 | C9 | C8 | H8 | 173.7° | 170.6° |
C10 | C9 | C8 | H8A | 53.4° | 49.9° |
C10 | C9 | C11 | H11 | 57.7° | 57.7° |
C9 | C10 | C14 | H14 | 179.8° | 179.8° |
C9 | C10 | C14 | H14A | 59.2° | 59.7° |
C11 | C9 | C10 | C14 | 62.7° | 62.2° |
C9 | C11 | C12 | C16 | 126.2° | 120.1° |
C9 | C11 | C12 | H11 | 115.9° | 119.7° |
C9 | C11 | C16 | H11 | 115.7° | 121.4° |
C9 | C11 | C12 | C13 | 54.0° | 61.1° |
C9 | C11 | C12 | C15 | 67.0° | 58.7° |
C9 | C11 | C12 | C18 | 176.8° | 177.6° |
C9 | C11 | C16 | C17 | 177.1° | 174.5° |
C11 | C9 | C8 | H8 | 53.4° | 51.3° |
C11 | C9 | C8 | H8A | 66.9° | 69.4° |
C11 | C9 | C10 | H10 | 55.5° | 55.6° |
C9 | C11 | C16 | H16 | 62.9° | 54.7° |
C9 | C11 | C16 | H16A | 58.8° | 65.7° |
C10 | C14 | C13 | C12 | 54.7° | 58.9° |
C10 | C14 | C13 | H14 | 120.0° | 119.9° |
C10 | C14 | C13 | H14A | 119.1° | 119.9° |
C14 | C10 | C9 | H9 | 55.6° | 57.7° |
C10 | C14 | C13 | H13 | 174.7° | 178.9° |
C10 | C14 | C13 | H13A | 63.4° | 61.1° |
C10 | C14 | H14 | H14A | 119.1° | 120.1° |
C12 | C11 | C16 | H11 | 119.2° | 119.9° |
C11 | C12 | C13 | C15 | 122.7° | 119.9° |
C11 | C12 | C13 | C18 | 121.7° | 120.1° |
C11 | C12 | C15 | C18 | 119.1° | 118.8° |
C11 | C12 | C13 | C14 | 50.1° | 59.7° |
C12 | C11 | C16 | C17 | 57.8° | 55.8° |
C11 | C12 | C18 | N2 | 29.9° | 31.0° |
C11 | C12 | C18 | O5 | 150.4° | 149.0° |
C12 | C11 | C9 | H9 | 60.4° | 57.9° |
C11 | C12 | C13 | H13 | 170.1° | 179.7° |
C11 | C12 | C13 | H13A | 68.0° | 60.4° |
C11 | C12 | C15 | H15 | 0.9° | 60.0° |
C11 | C12 | C15 | H15A | 120.9° | 180.0° |
C11 | C12 | C15 | H15B | 119.1° | 60.0° |
C12 | C11 | C16 | H16 | 62.2° | 64.0° |
C12 | C11 | C16 | H16A | 176.1° | 175.6° |
C16 | C11 | C12 | C13 | 179.8° | 178.8° |
C16 | C11 | C12 | C15 | 59.2° | 61.3° |
C16 | C11 | C12 | C18 | 57.0° | 57.5° |
C11 | C16 | C17 | H16 | 120.0° | 119.8° |
C11 | C16 | C17 | H16A | 118.3° | 119.8° |
C11 | C16 | C17 | N2 | 28.8° | 27.8° |
C16 | C11 | C9 | H9 | 63.2° | 60.7° |
C11 | C16 | H16 | H16A | 118.4° | 120.3° |
C13 | C12 | C15 | C18 | 119.9° | 121.1° |
C12 | C13 | C14 | H13 | 120.0° | 120.0° |
C12 | C13 | C14 | H13A | 118.1° | 120.0° |
C13 | C12 | C18 | N2 | 151.3° | 151.6° |
C13 | C12 | C18 | O5 | 29.0° | 28.4° |
C13 | C12 | C11 | H11 | 61.9° | 58.6° |
C12 | C13 | H13 | H13A | 118.3° | 119.9° |
C12 | C13 | C14 | H14 | 174.7° | 178.8° |
C12 | C13 | C14 | H14A | 64.3° | 61.0° |
C13 | C12 | C15 | H15 | 122.0° | 180.0° |
C13 | C12 | C15 | H15A | 118.0° | 59.9° |
C13 | C12 | C15 | H15B | 2.0° | 60.1° |
C15 | C12 | C13 | C14 | 72.6° | 60.2° |
C15 | C12 | C18 | N2 | 90.6° | 88.1° |
C15 | C12 | C18 | O5 | 89.2° | 91.9° |
C15 | C12 | C11 | H11 | 177.1° | 178.4° |
C15 | C12 | C13 | H13 | 47.4° | 59.8° |
C15 | C12 | C13 | H13A | 169.3° | 179.8° |
C12 | C15 | H15 | H15A | 120.0° | 120.0° |
C12 | C15 | H15 | H15B | 120.0° | 120.0° |
C12 | C15 | H15A | H15B | 120.0° | 120.0° |
C18 | C12 | C13 | C14 | 171.8° | 179.8° |
C12 | C18 | N2 | C17 | 0.7° | 1.1° |
C12 | C18 | N2 | O5 | 179.7° | 180.0° |
C12 | C18 | N2 | C19 | 179.3° | 178.9° |
C18 | C12 | C11 | H11 | 60.9° | 62.7° |
C18 | C12 | C13 | H13 | 68.2° | 60.2° |
C18 | C12 | C13 | H13A | 53.7° | 59.8° |
C18 | C12 | C15 | H15 | 118.1° | 58.9° |
C18 | C12 | C15 | H15A | 1.8° | 61.2° |
C18 | C12 | C15 | H15B | 121.8° | 178.8° |
C13 | C14 | C10 | H10 | 59.0° | 58.0° |
C14 | C13 | H13 | H13A | 118.2° | 120.0° |
C13 | C14 | H14 | H14A | 119.1° | 120.2° |
C16 | C17 | N2 | C18 | 0.6° | 0.7° |
C16 | C17 | N2 | C19 | 179.4° | 179.4° |
C17 | C16 | C11 | H11 | 61.4° | 64.1° |
C17 | C16 | H16 | H16A | 118.4° | 120.3° |
C17 | N2 | C18 | C19 | 180.0° | 179.9° |
C17 | N2 | C18 | O5 | 179.6° | 178.9° |
C17 | N2 | C19 | C20 | 81.9° | 90.0° |
N2 | C17 | C16 | H16 | 91.2° | 92.0° |
N2 | C17 | C16 | H16A | 147.2° | 147.7° |
C17 | N2 | C19 | H19 | 158.1° | 149.9° |
C17 | N2 | C19 | H19A | 34.8° | 30.0° |
C18 | N2 | C19 | C20 | 98.1° | 90.0° |
C18 | N2 | C19 | H19 | 21.9° | 30.0° |
C18 | N2 | C19 | H19A | 145.2° | 149.9° |
C19 | N2 | C18 | O5 | 0.4° | 1.2° |
N2 | C19 | C20 | H19 | 120.0° | 120.0° |
N2 | C19 | C20 | H19A | 116.7° | 120.0° |
N2 | C19 | C20 | C21 | 59.7° | 90.0° |
N2 | C19 | C20 | C24 | 120.4° | 90.3° |
N2 | C19 | H19 | H19A | 117.0° | 120.0° |
C19 | C20 | C21 | C24 | 179.9° | 179.7° |
C19 | C20 | C21 | C22 | 179.9° | 180.0° |
C19 | C20 | C24 | N3 | 179.9° | 179.8° |
C20 | C19 | H19 | H19A | 117.0° | 120.1° |
C19 | C20 | C21 | H21 | 0.1° | 0.0° |
C19 | C20 | C24 | H24 | 0.1° | 0.0° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C20 | C21 | C22 | C23 | 0.0° | 0.0° |
C21 | C20 | C24 | N3 | 0.0° | 0.5° |
C21 | C20 | C19 | H19 | 60.3° | 30.0° |
C21 | C20 | C19 | H19A | 176.4° | 150.0° |
C20 | C21 | C22 | H22 | 180.0° | 180.0° |
C21 | C20 | C24 | H24 | 180.0° | 179.7° |
C24 | C20 | C21 | C22 | 0.0° | 0.3° |
C20 | C24 | N3 | C23 | 0.0° | 0.5° |
C20 | C24 | N3 | H24 | 180.0° | 179.7° |
C24 | C20 | C19 | H19 | 119.6° | 149.7° |
C24 | C20 | C19 | H19A | 3.7° | 29.7° |
C24 | C20 | C21 | H21 | 180.0° | 179.8° |
C21 | C22 | C23 | H22 | 180.0° | 180.0° |
C21 | C22 | C23 | N3 | 0.0° | 0.0° |
C21 | C22 | C23 | H23 | 180.0° | 180.0° |
C22 | C23 | N3 | H23 | 180.0° | 179.9° |
C22 | C23 | N3 | C24 | 0.0° | 0.3° |
C23 | C22 | C21 | H21 | 180.0° | 180.0° |
N3 | C23 | C22 | H22 | 180.0° | 180.0° |
C23 | N3 | C24 | H24 | 180.0° | 179.7° |
C24 | N3 | C23 | H23 | 180.0° | 179.7° |
H5 | C5 | C6 | H6 | 0.1° | 0.0° |
H7 | C7 | C8 | H8 | 51.8° | 48.3° |
H7 | C7 | C8 | H8A | 172.1° | 168.9° |
H7A | C7 | C8 | H8 | 69.7° | 70.9° |
H7A | C7 | C8 | H8A | 50.6° | 49.7° |
H8 | C8 | C9 | H9 | 64.8° | 70.0° |
H8A | C8 | C9 | H9 | 175.0° | 169.3° |
H9 | C9 | C10 | H10 | 173.8° | 175.5° |
H9 | C9 | C11 | H11 | 179.3° | 177.6° |
H10 | C10 | C14 | H14 | 61.0° | 61.9° |
H10 | C10 | C14 | H14A | 178.1° | 177.9° |
H11 | C11 | C16 | H16 | 178.6° | 176.1° |
H11 | C11 | C16 | H16A | 57.0° | 55.7° |
H13 | C13 | C14 | H14 | 65.3° | 61.2° |
H13 | C13 | C14 | H14A | 55.7° | 59.0° |
H13A | C13 | C14 | H14 | 56.6° | 58.8° |
H13A | C13 | C14 | H14A | 177.6° | 179.0° |
H15 | C15 | H15A | H15B | 120.0° | 120.0° |
H21 | C21 | C22 | H22 | 0.0° | 0.0° |
H22 | C22 | C23 | H23 | 0.0° | 0.1° |