PRD_002539
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.45Å | 1.45Å | |
C1 | C2 | sing | 1.51Å | 1.57Å | |
C2 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
C2 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
C4 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | O1 | sing | 1.35Å | 1.43Å | |
C5 | O2 | doub | 1.21Å | 1.22Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H6 | sing | 1.08Å | 1.08Å | |
C8 | H7 | sing | 1.08Å | 1.08Å | |
N1 | C9 | sing | 1.47Å | 1.54Å | |
N1 | H8 | sing | 0.97Å | 1.00Å | |
C9 | C10 | sing | 1.51Å | 1.61Å | |
C9 | C11 | sing | 1.53Å | 1.59Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C10 | O3 | doub | 1.21Å | 1.24Å | |
C11 | C12 | sing | 1.51Å | 1.55Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
C12 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | H12 | sing | 1.08Å | 1.08Å | |
C14 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | H14 | sing | 1.08Å | 1.08Å | |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C16 | H15 | sing | 1.08Å | 1.08Å | |
C17 | H16 | sing | 1.08Å | 1.08Å | |
N2 | C18 | sing | 1.47Å | 1.50Å | |
N2 | H17 | sing | 0.97Å | 1.00Å | |
C18 | C19 | sing | 1.51Å | 1.61Å | |
C18 | C20 | sing | 1.53Å | 1.64Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C19 | O4 | doub | 1.21Å | 1.24Å | |
C20 | C21 | sing | 1.51Å | 1.55Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
C21 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
C22 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
C22 | H21 | sing | 1.08Å | 1.08Å | |
C23 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
C23 | H22 | sing | 1.08Å | 1.08Å | |
C24 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | H23 | sing | 1.08Å | 1.08Å | |
C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | H24 | sing | 1.08Å | 1.08Å | |
C26 | H25 | sing | 1.08Å | 1.08Å | |
N3 | C27 | sing | 1.47Å | 1.49Å | |
N3 | H26 | sing | 0.97Å | 1.00Å | |
C27 | C28 | sing | 1.51Å | 1.58Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C28 | O5 | doub | 1.21Å | 1.24Å | |
C28 | O6 | sing | 1.34Å | 1.27Å | |
O6 | H29 | sing | 0.97Å | 0.95Å | |
C5 | N1 | sing | 1.35Å | 1.43Å | |
C10 | N2 | sing | 1.35Å | 1.43Å | |
C19 | N3 | sing | 1.35Å | 1.39Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 116.8° | 109.5° |
C1 | O1 | C5 | 122.3° | 117.0° |
O1 | C1 | H1 | 107.5° | 109.5° |
O1 | C1 | H2 | 107.6° | 109.5° |
C1 | C2 | C8 | 123.2° | 120.0° |
C1 | C2 | C6 | 122.3° | 120.0° |
C2 | C1 | H1 | 107.6° | 109.4° |
C2 | C1 | H2 | 107.6° | 109.5° |
C8 | C2 | C6 | 114.6° | 120.0° |
C2 | C8 | C4 | 122.9° | 120.0° |
C2 | C8 | H7 | 118.6° | 120.0° |
C2 | C6 | C3 | 123.3° | 120.0° |
C2 | C6 | H5 | 118.4° | 120.0° |
C7 | C3 | C6 | 120.7° | 120.0° |
C3 | C7 | C4 | 117.9° | 120.1° |
C7 | C3 | H3 | 119.6° | 120.0° |
C3 | C7 | H6 | 121.1° | 119.9° |
C6 | C3 | H3 | 119.7° | 120.0° |
C3 | C6 | H5 | 118.4° | 120.0° |
C8 | C4 | C7 | 120.7° | 120.0° |
C8 | C4 | H4 | 119.7° | 120.0° |
C4 | C8 | H7 | 118.5° | 120.0° |
C7 | C4 | H4 | 119.6° | 120.0° |
C4 | C7 | H6 | 121.0° | 120.0° |
O1 | C5 | O2 | 115.0° | 120.0° |
O1 | C5 | N1 | 120.7° | 120.0° |
O2 | C5 | N1 | 124.3° | 120.0° |
H1 | C1 | H2 | 109.5° | 109.4° |
C9 | N1 | H8 | 115.9° | 120.0° |
N1 | C9 | C10 | 112.5° | 109.5° |
N1 | C9 | C11 | 113.6° | 109.5° |
N1 | C9 | H9 | 107.0° | 109.4° |
C9 | N1 | C5 | 128.4° | 120.0° |
H8 | N1 | C5 | 115.8° | 120.0° |
C10 | C9 | C11 | 110.7° | 109.5° |
C10 | C9 | H9 | 106.2° | 109.5° |
C9 | C10 | O3 | 115.4° | 120.0° |
C9 | C10 | N2 | 129.5° | 120.0° |
C11 | C9 | H9 | 106.4° | 109.5° |
C9 | C11 | C12 | 121.7° | 109.5° |
C9 | C11 | H10 | 106.3° | 109.5° |
C9 | C11 | H11 | 106.3° | 109.5° |
O3 | C10 | N2 | 115.1° | 120.0° |
C12 | C11 | H10 | 106.4° | 109.5° |
C12 | C11 | H11 | 106.3° | 109.5° |
C11 | C12 | C13 | 123.0° | 120.0° |
C11 | C12 | C14 | 122.6° | 120.0° |
H10 | C11 | H11 | 109.4° | 109.5° |
C13 | C12 | C14 | 114.4° | 120.0° |
C12 | C13 | C15 | 122.8° | 120.0° |
C12 | C13 | H12 | 118.6° | 120.0° |
C12 | C14 | C16 | 123.4° | 120.0° |
C12 | C14 | H13 | 118.3° | 120.0° |
C15 | C13 | H12 | 118.6° | 120.0° |
C13 | C15 | C17 | 120.8° | 120.0° |
C13 | C15 | H14 | 119.6° | 120.1° |
C16 | C14 | H13 | 118.3° | 120.0° |
C14 | C16 | C17 | 120.7° | 120.0° |
C14 | C16 | H15 | 119.7° | 120.0° |
C17 | C15 | H14 | 119.6° | 120.0° |
C15 | C17 | C16 | 117.9° | 120.0° |
C15 | C17 | H16 | 121.1° | 120.0° |
C17 | C16 | H15 | 119.7° | 120.0° |
C16 | C17 | H16 | 121.0° | 120.0° |
C18 | N2 | H17 | 117.6° | 120.0° |
N2 | C18 | C19 | 109.7° | 109.5° |
N2 | C18 | C20 | 114.8° | 109.5° |
N2 | C18 | H18 | 107.4° | 109.5° |
C18 | N2 | C10 | 124.9° | 120.0° |
H17 | N2 | C10 | 117.5° | 120.0° |
C19 | C18 | C20 | 112.3° | 109.5° |
C19 | C18 | H18 | 106.2° | 109.5° |
C18 | C19 | O4 | 115.9° | 120.0° |
C18 | C19 | N3 | 124.8° | 120.0° |
C20 | C18 | H18 | 105.9° | 109.5° |
C18 | C20 | C21 | 119.1° | 109.5° |
C18 | C20 | H19 | 107.0° | 109.5° |
C18 | C20 | H20 | 107.0° | 109.5° |
O4 | C19 | N3 | 119.3° | 120.0° |
C21 | C20 | H19 | 107.1° | 109.5° |
C21 | C20 | H20 | 107.0° | 109.5° |
C20 | C21 | C22 | 123.7° | 119.9° |
C20 | C21 | C23 | 121.9° | 120.0° |
H19 | C20 | H20 | 109.5° | 109.5° |
C22 | C21 | C23 | 114.4° | 120.1° |
C21 | C22 | C24 | 122.9° | 119.9° |
C21 | C22 | H21 | 118.5° | 120.1° |
C21 | C23 | C25 | 123.3° | 120.0° |
C21 | C23 | H22 | 118.3° | 120.0° |
C24 | C22 | H21 | 118.6° | 120.0° |
C22 | C24 | C26 | 120.7° | 120.0° |
C22 | C24 | H23 | 119.6° | 120.0° |
C25 | C23 | H22 | 118.4° | 120.0° |
C23 | C25 | C26 | 120.7° | 120.0° |
C23 | C25 | H24 | 119.6° | 120.0° |
C26 | C24 | H23 | 119.7° | 120.0° |
C24 | C26 | C25 | 117.9° | 120.0° |
C24 | C26 | H25 | 121.0° | 120.0° |
C26 | C25 | H24 | 119.6° | 120.1° |
C25 | C26 | H25 | 121.0° | 120.0° |
C27 | N3 | H26 | 116.5° | 120.1° |
N3 | C27 | C28 | 113.8° | 109.4° |
N3 | C27 | H27 | 108.4° | 109.5° |
N3 | C27 | H28 | 108.4° | 109.4° |
C27 | N3 | C19 | 127.1° | 120.0° |
H26 | N3 | C19 | 116.4° | 120.0° |
C28 | C27 | H27 | 108.4° | 109.5° |
C28 | C27 | H28 | 108.4° | 109.5° |
C27 | C28 | O5 | 119.8° | 120.0° |
C27 | C28 | O6 | 116.0° | 120.0° |
H27 | C27 | H28 | 109.5° | 109.5° |
O5 | C28 | O6 | 124.3° | 120.0° |
C28 | O6 | H29 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H1 | 121.0° | 120.0° |
O1 | C1 | C2 | H2 | 121.1° | 120.1° |
O1 | C1 | C2 | C8 | 137.9° | 90.0° |
O1 | C1 | C2 | C6 | 42.5° | 89.7° |
C1 | O1 | C5 | O2 | 49.7° | 0.0° |
O1 | C1 | H1 | H2 | 116.6° | 120.0° |
C1 | O1 | C5 | N1 | 130.3° | 180.0° |
C1 | C2 | C8 | C6 | 179.6° | 179.7° |
C1 | C2 | C6 | C3 | 179.9° | 180.0° |
C1 | C2 | C8 | C4 | 179.9° | 180.0° |
C2 | C1 | O1 | C5 | 94.6° | 180.0° |
C2 | C1 | H1 | H2 | 116.7° | 120.0° |
C1 | C2 | C6 | H5 | 0.1° | 0.0° |
C1 | C2 | C8 | H7 | 0.2° | 0.1° |
C8 | C2 | C6 | C3 | 0.3° | 0.3° |
C2 | C8 | C4 | H7 | 179.9° | 179.9° |
C2 | C8 | C4 | C7 | 0.2° | 0.1° |
C8 | C2 | C1 | H1 | 101.1° | 150.0° |
C8 | C2 | C1 | H2 | 16.9° | 30.1° |
C2 | C8 | C4 | H4 | 179.9° | 180.0° |
C8 | C2 | C6 | H5 | 179.7° | 179.7° |
C2 | C6 | C3 | C7 | 0.2° | 0.0° |
C2 | C6 | C3 | H5 | 180.0° | 180.0° |
C6 | C2 | C8 | C4 | 0.3° | 0.3° |
C6 | C2 | C1 | H1 | 78.5° | 30.3° |
C6 | C2 | C1 | H2 | 163.6° | 150.2° |
C2 | C6 | C3 | H3 | 179.8° | 179.7° |
C6 | C2 | C8 | H7 | 179.8° | 179.7° |
C7 | C3 | C6 | H3 | 180.0° | 179.7° |
C3 | C7 | C4 | C8 | 0.1° | 0.1° |
C3 | C7 | C4 | H6 | 180.0° | 179.8° |
C3 | C7 | C4 | H4 | 180.0° | 179.7° |
C7 | C3 | C6 | H5 | 179.8° | 180.0° |
C6 | C3 | C7 | C4 | 0.1° | 0.2° |
C6 | C3 | C7 | H6 | 180.0° | 180.0° |
C8 | C4 | C7 | H4 | 179.9° | 179.9° |
C8 | C4 | C7 | H6 | 180.0° | 180.0° |
C4 | C7 | C3 | H3 | 179.9° | 179.9° |
C7 | C4 | C8 | H7 | 179.9° | 180.0° |
O1 | C5 | O2 | N1 | 179.9° | 180.0° |
C5 | O1 | C1 | H1 | 26.5° | 60.0° |
C5 | O1 | C1 | H2 | 144.3° | 60.0° |
O1 | C5 | N1 | C9 | 175.0° | 180.0° |
O1 | C5 | N1 | H8 | 4.9° | 0.0° |
O2 | C5 | N1 | C9 | 4.9° | 0.0° |
O2 | C5 | N1 | H8 | 175.2° | 180.0° |
H3 | C3 | C6 | H5 | 0.2° | 0.3° |
H3 | C3 | C7 | H6 | 0.1° | 0.2° |
H4 | C4 | C7 | H6 | 0.1° | 0.1° |
H4 | C4 | C8 | H7 | 0.0° | 0.1° |
C9 | N1 | H8 | C5 | 180.0° | 180.0° |
N1 | C9 | C10 | C11 | 128.2° | 120.0° |
N1 | C9 | C10 | H9 | 116.7° | 120.0° |
N1 | C9 | C11 | H9 | 117.4° | 120.0° |
N1 | C9 | C10 | O3 | 46.3° | 0.0° |
N1 | C9 | C11 | C12 | 71.1° | 65.0° |
N1 | C9 | C11 | H10 | 50.7° | 55.0° |
N1 | C9 | C11 | H11 | 167.2° | 175.0° |
N1 | C9 | C10 | N2 | 134.0° | 179.9° |
H8 | N1 | C9 | C10 | 97.9° | 25.0° |
H8 | N1 | C9 | C11 | 135.5° | 95.0° |
H8 | N1 | C9 | H9 | 18.4° | 145.0° |
C10 | C9 | C11 | H9 | 115.0° | 120.0° |
C9 | C10 | O3 | N2 | 179.7° | 179.9° |
C10 | C9 | C11 | C12 | 161.3° | 175.0° |
C10 | C9 | C11 | H10 | 77.0° | 65.0° |
C10 | C9 | C11 | H11 | 39.6° | 55.0° |
C9 | C10 | N2 | C18 | 179.8° | 180.0° |
C9 | C10 | N2 | H17 | 0.2° | 0.1° |
C10 | C9 | N1 | C5 | 82.1° | 155.0° |
C11 | C9 | C10 | O3 | 174.5° | 120.0° |
C9 | C11 | C12 | H10 | 121.7° | 120.0° |
C9 | C11 | C12 | H11 | 121.7° | 120.0° |
C9 | C11 | H10 | H11 | 114.5° | 120.0° |
C9 | C11 | C12 | C13 | 135.4° | 90.0° |
C9 | C11 | C12 | C14 | 44.5° | 90.3° |
C11 | C9 | N1 | C5 | 44.6° | 85.0° |
C11 | C9 | C10 | N2 | 5.8° | 60.0° |
H9 | C9 | C10 | O3 | 70.4° | 119.9° |
H9 | C9 | C11 | C12 | 46.3° | 55.0° |
H9 | C9 | C11 | H10 | 168.1° | 175.0° |
H9 | C9 | C11 | H11 | 75.4° | 65.0° |
H9 | C9 | N1 | C5 | 161.6° | 35.0° |
H9 | C9 | C10 | N2 | 109.3° | 60.0° |
O3 | C10 | N2 | C18 | 0.1° | 0.1° |
O3 | C10 | N2 | H17 | 179.9° | 180.0° |
C12 | C11 | H10 | H11 | 114.4° | 120.0° |
C11 | C12 | C13 | C14 | 179.9° | 179.8° |
C11 | C12 | C13 | C15 | 179.9° | 180.0° |
C11 | C12 | C13 | H12 | 0.1° | 0.0° |
C11 | C12 | C14 | C16 | 179.9° | 180.0° |
C11 | C12 | C14 | H13 | 0.1° | 0.0° |
H10 | C11 | C12 | C13 | 13.6° | 30.0° |
H10 | C11 | C12 | C14 | 166.2° | 149.7° |
H11 | C11 | C12 | C13 | 102.9° | 150.0° |
H11 | C11 | C12 | C14 | 77.2° | 29.7° |
C12 | C13 | C15 | H12 | 179.9° | 180.0° |
C13 | C12 | C14 | C16 | 0.0° | 0.3° |
C13 | C12 | C14 | H13 | 180.0° | 179.7° |
C12 | C13 | C15 | C17 | 0.1° | 0.0° |
C12 | C13 | C15 | H14 | 179.9° | 180.0° |
C14 | C12 | C13 | C15 | 0.1° | 0.2° |
C14 | C12 | C13 | H12 | 180.0° | 179.7° |
C12 | C14 | C16 | H13 | 180.0° | 180.0° |
C12 | C14 | C16 | C17 | 0.0° | 0.0° |
C12 | C14 | C16 | H15 | 180.0° | 179.9° |
C13 | C15 | C17 | H14 | 180.0° | 180.0° |
C13 | C15 | C17 | C16 | 0.0° | 0.2° |
C13 | C15 | C17 | H16 | 179.9° | 180.0° |
H12 | C13 | C15 | C17 | 180.0° | 180.0° |
H12 | C13 | C15 | H14 | 0.0° | 0.0° |
C14 | C16 | C17 | C15 | 0.0° | 0.2° |
C14 | C16 | C17 | H15 | 179.9° | 179.9° |
C14 | C16 | C17 | H16 | 179.9° | 180.0° |
H13 | C14 | C16 | C17 | 180.0° | 179.9° |
H13 | C14 | C16 | H15 | 0.0° | 0.1° |
C15 | C17 | C16 | H16 | 179.9° | 179.8° |
C15 | C17 | C16 | H15 | 180.0° | 179.7° |
H14 | C15 | C17 | C16 | 180.0° | 179.8° |
H14 | C15 | C17 | H16 | 0.1° | 0.0° |
H15 | C16 | C17 | H16 | 0.1° | 0.1° |
C18 | N2 | H17 | C10 | 180.0° | 179.9° |
N2 | C18 | C19 | C20 | 128.9° | 120.0° |
N2 | C18 | C19 | H18 | 115.8° | 120.0° |
N2 | C18 | C20 | H18 | 118.3° | 120.0° |
N2 | C18 | C19 | O4 | 53.1° | 0.0° |
N2 | C18 | C20 | C21 | 65.8° | 65.0° |
N2 | C18 | C20 | H19 | 55.6° | 55.0° |
N2 | C18 | C20 | H20 | 172.8° | 175.0° |
N2 | C18 | C19 | N3 | 127.1° | 180.0° |
H17 | N2 | C18 | C19 | 111.0° | 25.0° |
H17 | N2 | C18 | C20 | 16.5° | 95.1° |
H17 | N2 | C18 | H18 | 133.9° | 145.0° |
C19 | C18 | C20 | H18 | 115.5° | 120.0° |
C18 | C19 | O4 | N3 | 179.8° | 180.0° |
C19 | C18 | C20 | C21 | 168.0° | 175.0° |
C19 | C18 | C20 | H19 | 70.7° | 65.0° |
C19 | C18 | C20 | H20 | 46.6° | 55.0° |
C18 | C19 | N3 | C27 | 179.9° | 180.0° |
C18 | C19 | N3 | H26 | 0.2° | 0.0° |
C19 | C18 | N2 | C10 | 69.0° | 154.9° |
C20 | C18 | C19 | O4 | 75.9° | 120.0° |
C18 | C20 | C21 | H19 | 121.3° | 120.0° |
C18 | C20 | C21 | H20 | 121.3° | 120.0° |
C18 | C20 | H19 | H20 | 115.6° | 120.0° |
C18 | C20 | C21 | C22 | 87.4° | 90.0° |
C18 | C20 | C21 | C23 | 92.8° | 90.3° |
C20 | C18 | N2 | C10 | 163.5° | 85.1° |
C20 | C18 | C19 | N3 | 103.9° | 60.0° |
H18 | C18 | C19 | O4 | 168.9° | 120.0° |
H18 | C18 | C20 | C21 | 52.5° | 55.0° |
H18 | C18 | C20 | H19 | 173.9° | 175.0° |
H18 | C18 | C20 | H20 | 68.9° | 65.0° |
H18 | C18 | N2 | C10 | 46.0° | 34.9° |
H18 | C18 | C19 | N3 | 11.3° | 60.1° |
O4 | C19 | N3 | C27 | 0.1° | 0.0° |
O4 | C19 | N3 | H26 | 180.0° | 180.0° |
C21 | C20 | H19 | H20 | 115.7° | 120.0° |
C20 | C21 | C22 | C23 | 179.8° | 179.7° |
C20 | C21 | C22 | C24 | 179.9° | 180.0° |
C20 | C21 | C22 | H21 | 0.1° | 0.0° |
C20 | C21 | C23 | C25 | 179.9° | 180.0° |
C20 | C21 | C23 | H22 | 0.1° | 0.0° |
H19 | C20 | C21 | C22 | 151.3° | 30.0° |
H19 | C20 | C21 | C23 | 28.5° | 149.7° |
H20 | C20 | C21 | C22 | 33.9° | 150.0° |
H20 | C20 | C21 | C23 | 145.8° | 29.7° |
C21 | C22 | C24 | H21 | 180.0° | 180.0° |
C22 | C21 | C23 | C25 | 0.1° | 0.3° |
C22 | C21 | C23 | H22 | 179.9° | 179.8° |
C21 | C22 | C24 | C26 | 0.1° | 0.0° |
C21 | C22 | C24 | H23 | 179.9° | 179.9° |
C23 | C21 | C22 | C24 | 0.1° | 0.3° |
C23 | C21 | C22 | H21 | 179.9° | 179.7° |
C21 | C23 | C25 | H22 | 180.0° | 179.9° |
C21 | C23 | C25 | C26 | 0.0° | 0.1° |
C21 | C23 | C25 | H24 | 180.0° | 180.0° |
C22 | C24 | C26 | H23 | 180.0° | 180.0° |
C22 | C24 | C26 | C25 | 0.0° | 0.2° |
C22 | C24 | C26 | H25 | 180.0° | 180.0° |
H21 | C22 | C24 | C26 | 179.9° | 180.0° |
H21 | C22 | C24 | H23 | 0.1° | 0.1° |
C23 | C25 | C26 | C24 | 0.0° | 0.2° |
C23 | C25 | C26 | H24 | 180.0° | 180.0° |
C23 | C25 | C26 | H25 | 179.9° | 180.0° |
H22 | C23 | C25 | C26 | 180.0° | 180.0° |
H22 | C23 | C25 | H24 | 0.0° | 0.0° |
C24 | C26 | C25 | H25 | 180.0° | 179.8° |
C24 | C26 | C25 | H24 | 179.9° | 179.8° |
H23 | C24 | C26 | C25 | 180.0° | 179.8° |
H23 | C24 | C26 | H25 | 0.1° | 0.0° |
H24 | C25 | C26 | H25 | 0.1° | 0.0° |
C27 | N3 | H26 | C19 | 180.0° | 180.0° |
N3 | C27 | C28 | H27 | 120.6° | 120.0° |
N3 | C27 | C28 | H28 | 120.6° | 119.9° |
N3 | C27 | H27 | H28 | 118.0° | 120.0° |
N3 | C27 | C28 | O5 | 155.9° | 0.0° |
N3 | C27 | C28 | O6 | 24.0° | 180.0° |
H26 | N3 | C27 | C28 | 59.6° | 0.0° |
H26 | N3 | C27 | H27 | 61.0° | 120.0° |
H26 | N3 | C27 | H28 | 179.8° | 120.0° |
C28 | C27 | H27 | H28 | 118.1° | 120.0° |
C27 | C28 | O5 | O6 | 179.8° | 180.0° |
C27 | C28 | O6 | H29 | 179.9° | 180.0° |
C28 | C27 | N3 | C19 | 120.3° | 180.0° |
H27 | C27 | C28 | O5 | 83.5° | 120.0° |
H27 | C27 | C28 | O6 | 96.6° | 60.0° |
H27 | C27 | N3 | C19 | 119.1° | 60.0° |
H28 | C27 | C28 | O5 | 35.3° | 119.9° |
H28 | C27 | C28 | O6 | 144.6° | 60.0° |
H28 | C27 | N3 | C19 | 0.3° | 60.0° |
O5 | C28 | O6 | H29 | 0.0° | 0.1° |