A1EVP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C28 | doub | 1.21Å | 1.26Å | |
| C28 | O5 | sing | 1.34Å | 1.26Å | |
| C28 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | N3 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| N3 | C27 | sing | 1.47Å | 1.47Å | |
| N3 | C22 | sing | 1.38Å | 1.48Å | |
| N2 | C22 | doub | 1.29Å | 1.12Å | |
| N2 | O3 | sing | 1.42Å | 1.40Å | |
| C22 | C21 | sing | 1.52Å | 1.43Å | |
| O3 | C19 | sing | 1.43Å | 1.54Å | |
| C21 | C19 | sing | 1.53Å | 1.62Å | |
| C18 | C19 | sing | 1.53Å | 1.64Å | |
| C18 | N1 | sing | 1.48Å | 1.35Å | |
| C19 | C20 | sing | 1.53Å | 1.64Å | |
| N1 | C20 | sing | 1.48Å | 1.35Å | |
| N1 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | C5 | sing | 1.51Å | 1.56Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.42Å | |
| C3 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.42Å | |
| C8 | C9 | sing | 1.48Å | 1.55Å | |
| C15 | O2 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.37Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| O5 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C28 | O5 | 120.1° | 120.0° |
| O4 | C28 | C25 | 119.8° | 120.0° |
| O5 | C28 | C25 | 120.1° | 120.0° |
| C28 | O5 | H35 | 109.5° | 117.0° |
| C28 | C25 | C24 | 109.2° | 109.5° |
| C28 | C25 | C26 | 109.3° | 109.5° |
| C28 | C25 | H27 | 109.7° | 109.5° |
| C25 | C24 | C23 | 109.3° | 109.3° |
| C24 | C25 | C26 | 109.5° | 109.5° |
| C25 | C24 | H25 | 109.5° | 109.5° |
| C25 | C24 | H26 | 109.5° | 109.5° |
| C24 | C25 | H27 | 109.6° | 109.5° |
| C24 | C23 | N3 | 108.9° | 108.8° |
| C24 | C23 | H23 | 109.6° | 109.6° |
| C24 | C23 | H24 | 109.6° | 109.7° |
| C23 | C24 | H25 | 109.5° | 109.5° |
| C23 | C24 | H26 | 109.5° | 109.5° |
| C25 | C26 | C27 | 109.2° | 109.3° |
| C26 | C25 | H27 | 109.6° | 109.5° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| C25 | C26 | H29 | 109.6° | 109.5° |
| C23 | N3 | C27 | 120.2° | 118.8° |
| C23 | N3 | C22 | 120.0° | 120.6° |
| N3 | C23 | H23 | 109.6° | 109.6° |
| N3 | C23 | H24 | 109.6° | 109.6° |
| C26 | C27 | N3 | 108.9° | 108.8° |
| C27 | C26 | H28 | 109.5° | 109.5° |
| C27 | C26 | H29 | 109.5° | 109.5° |
| C26 | C27 | H30 | 109.6° | 109.6° |
| C26 | C27 | H31 | 109.6° | 109.5° |
| C27 | N3 | C22 | 119.8° | 120.6° |
| N3 | C27 | H30 | 109.6° | 109.6° |
| N3 | C27 | H31 | 109.6° | 109.7° |
| N3 | C22 | N2 | 121.1° | 125.8° |
| N3 | C22 | C21 | 120.9° | 125.9° |
| C22 | N2 | O3 | 117.2° | 113.0° |
| N2 | C22 | C21 | 118.0° | 108.3° |
| N2 | O3 | C19 | 103.5° | 107.2° |
| C22 | C21 | C19 | 99.7° | 102.2° |
| C22 | C21 | H21 | 111.9° | 110.9° |
| C22 | C21 | H22 | 111.8° | 111.0° |
| O3 | C19 | C21 | 100.7° | 103.4° |
| O3 | C19 | C18 | 99.0° | 116.9° |
| O3 | C19 | C20 | 102.3° | 116.8° |
| C21 | C19 | C18 | 137.5° | 116.2° |
| C21 | C19 | C20 | 130.0° | 116.1° |
| C19 | C21 | H21 | 111.9° | 110.9° |
| C19 | C21 | H22 | 111.9° | 110.8° |
| C19 | C18 | N1 | 85.9° | 85.7° |
| C18 | C19 | C20 | 80.9° | 87.8° |
| C19 | C18 | H15 | 115.0° | 113.8° |
| C19 | C18 | H16 | 115.0° | 113.8° |
| C18 | N1 | C20 | 104.5° | 91.0° |
| C18 | N1 | C17 | 110.5° | 111.0° |
| N1 | C18 | H15 | 115.0° | 113.8° |
| N1 | C18 | H16 | 115.0° | 113.9° |
| C19 | C20 | N1 | 85.9° | 85.7° |
| C19 | C20 | H19 | 115.0° | 113.8° |
| C19 | C20 | H20 | 115.0° | 113.9° |
| C20 | N1 | C17 | 110.7° | 111.1° |
| N1 | C20 | H19 | 115.0° | 113.8° |
| N1 | C20 | H20 | 115.0° | 113.9° |
| N1 | C17 | C5 | 107.7° | 109.5° |
| N1 | C17 | H13 | 109.9° | 109.5° |
| N1 | C17 | H14 | 109.9° | 109.4° |
| C17 | C5 | C4 | 120.1° | 119.9° |
| C17 | C5 | C6 | 119.3° | 119.8° |
| C5 | C17 | H13 | 109.9° | 109.5° |
| C5 | C17 | H14 | 109.9° | 109.4° |
| C4 | C5 | C6 | 120.6° | 120.3° |
| C5 | C4 | C3 | 120.1° | 120.2° |
| C5 | C4 | H32 | 119.9° | 119.9° |
| C5 | C6 | C7 | 119.9° | 120.2° |
| C5 | C6 | H33 | 120.0° | 119.9° |
| C4 | C3 | O1 | 120.1° | 120.1° |
| C4 | C3 | C8 | 119.7° | 119.8° |
| C3 | C4 | H32 | 119.9° | 119.9° |
| C1 | C2 | O1 | 109.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H17 | 109.4° | 109.5° |
| C1 | C2 | H18 | 109.5° | 109.5° |
| C2 | O1 | C3 | 114.0° | 117.0° |
| O1 | C2 | H17 | 109.5° | 109.4° |
| O1 | C2 | H18 | 109.5° | 109.5° |
| C6 | C7 | C8 | 119.9° | 119.8° |
| C6 | C7 | O2 | 120.1° | 120.1° |
| C7 | C6 | H33 | 120.1° | 119.9° |
| O1 | C3 | C8 | 120.2° | 120.1° |
| C3 | C8 | C7 | 119.8° | 119.7° |
| C3 | C8 | C9 | 120.2° | 120.2° |
| C8 | C7 | O2 | 120.0° | 120.1° |
| C7 | C8 | C9 | 120.0° | 120.2° |
| C7 | O2 | C15 | 114.0° | 117.0° |
| C8 | C9 | C10 | 118.4° | 120.1° |
| C8 | C9 | C14 | 121.4° | 120.1° |
| O2 | C15 | C16 | 108.8° | 109.4° |
| O2 | C15 | H8 | 109.7° | 109.5° |
| O2 | C15 | H9 | 109.7° | 109.4° |
| C16 | C15 | H8 | 109.7° | 109.5° |
| C16 | C15 | H9 | 109.6° | 109.5° |
| C15 | C16 | H10 | 109.5° | 109.5° |
| C15 | C16 | H11 | 109.5° | 109.5° |
| C15 | C16 | H12 | 109.5° | 109.5° |
| C10 | C9 | C14 | 120.2° | 119.8° |
| C9 | C10 | C11 | 120.2° | 119.9° |
| C9 | C10 | H4 | 119.9° | 120.1° |
| C9 | C14 | C13 | 119.6° | 119.9° |
| C9 | C14 | H7 | 120.2° | 120.1° |
| C10 | C11 | C12 | 119.7° | 120.1° |
| C11 | C10 | H4 | 119.9° | 120.0° |
| C10 | C11 | H5 | 120.1° | 120.0° |
| C14 | C13 | C12 | 120.0° | 120.1° |
| C14 | C13 | H6 | 120.0° | 120.0° |
| C13 | C14 | H7 | 120.2° | 120.0° |
| C11 | C12 | C13 | 120.3° | 120.2° |
| C11 | C12 | F1 | 119.4° | 119.9° |
| C12 | C11 | H5 | 120.2° | 119.9° |
| C13 | C12 | F1 | 120.3° | 119.9° |
| C12 | C13 | H6 | 120.0° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.4° | 109.4° |
| H10 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.4° |
| H15 | C18 | H16 | 109.5° | 113.1° |
| H17 | C2 | H18 | 109.4° | 109.5° |
| H19 | C20 | H20 | 109.5° | 113.0° |
| H21 | C21 | H22 | 109.5° | 110.8° |
| H23 | C23 | H24 | 109.5° | 109.6° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.4° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C28 | O5 | C25 | 179.9° | 179.9° |
| O4 | C28 | C25 | C24 | 31.1° | 0.1° |
| O4 | C28 | C25 | C26 | 88.7° | 120.1° |
| O4 | C28 | C25 | H27 | 151.2° | 119.9° |
| O4 | C28 | O5 | H35 | 0.0° | 0.0° |
| O5 | C28 | C25 | C24 | 148.8° | 180.0° |
| O5 | C28 | C25 | C26 | 91.5° | 60.0° |
| O5 | C28 | C25 | H27 | 28.7° | 60.0° |
| C28 | C25 | C24 | C26 | 119.6° | 120.0° |
| C28 | C25 | C24 | H27 | 120.1° | 120.0° |
| C28 | C25 | C24 | C23 | 178.0° | 178.6° |
| C28 | C25 | C26 | H27 | 120.2° | 120.0° |
| C28 | C25 | C26 | C27 | 178.1° | 178.7° |
| C28 | C25 | C24 | H25 | 58.0° | 61.4° |
| C28 | C25 | C24 | H26 | 62.1° | 58.7° |
| C28 | C25 | C26 | H28 | 61.9° | 61.4° |
| C28 | C25 | C26 | H29 | 58.1° | 58.7° |
| C25 | C28 | O5 | H35 | 179.9° | 180.0° |
| C25 | C24 | C23 | H25 | 120.0° | 119.9° |
| C25 | C24 | C23 | H26 | 120.0° | 119.9° |
| C24 | C25 | C26 | H27 | 120.3° | 120.0° |
| C25 | C24 | C23 | N3 | 53.5° | 54.7° |
| C24 | C25 | C26 | C27 | 62.4° | 61.3° |
| C25 | C24 | C23 | H23 | 66.4° | 65.2° |
| C25 | C24 | C23 | H24 | 173.4° | 174.5° |
| C25 | C24 | H25 | H26 | 120.1° | 120.0° |
| C24 | C25 | C26 | H28 | 57.6° | 58.6° |
| C24 | C25 | C26 | H29 | 177.7° | 178.7° |
| C23 | C24 | C25 | C26 | 62.4° | 61.4° |
| C24 | C23 | N3 | H23 | 119.9° | 119.8° |
| C24 | C23 | N3 | H24 | 119.9° | 119.9° |
| C24 | C23 | N3 | C27 | 50.9° | 53.6° |
| C24 | C23 | N3 | C22 | 129.2° | 126.4° |
| C24 | C23 | H23 | H24 | 120.3° | 120.4° |
| C23 | C24 | H25 | H26 | 120.1° | 120.1° |
| C23 | C24 | C25 | H27 | 57.8° | 58.6° |
| C25 | C26 | C27 | H28 | 120.0° | 119.9° |
| C25 | C26 | C27 | H29 | 120.0° | 120.0° |
| C25 | C26 | C27 | N3 | 53.5° | 54.6° |
| C26 | C25 | C24 | H25 | 177.6° | 58.6° |
| C26 | C25 | C24 | H26 | 57.6° | 178.7° |
| C25 | C26 | H28 | H29 | 120.1° | 120.1° |
| C25 | C26 | C27 | H30 | 173.4° | 174.4° |
| C25 | C26 | C27 | H31 | 66.4° | 65.3° |
| C23 | N3 | C27 | C26 | 50.9° | 53.6° |
| C23 | N3 | C27 | C22 | 179.9° | 180.0° |
| C23 | N3 | C22 | N2 | 0.1° | 0.1° |
| C23 | N3 | C22 | C21 | 179.9° | 180.0° |
| N3 | C23 | H23 | H24 | 120.3° | 120.3° |
| N3 | C23 | C24 | H25 | 173.5° | 65.3° |
| N3 | C23 | C24 | H26 | 66.4° | 174.6° |
| C23 | N3 | C27 | H30 | 170.8° | 173.4° |
| C23 | N3 | C27 | H31 | 69.0° | 66.2° |
| C26 | C27 | N3 | H30 | 119.9° | 119.8° |
| C26 | C27 | N3 | H31 | 119.9° | 119.8° |
| C26 | C27 | N3 | C22 | 129.2° | 126.4° |
| C27 | C26 | C25 | H27 | 57.9° | 58.7° |
| C27 | C26 | H28 | H29 | 120.1° | 120.1° |
| C26 | C27 | H30 | H31 | 120.3° | 120.2° |
| C27 | N3 | C22 | N2 | 179.9° | 179.9° |
| C27 | N3 | C22 | C21 | 0.1° | 0.0° |
| C27 | N3 | C23 | H23 | 69.0° | 66.2° |
| C27 | N3 | C23 | H24 | 170.8° | 173.5° |
| N3 | C27 | C26 | H28 | 66.5° | 65.3° |
| N3 | C27 | C26 | H29 | 173.5° | 174.6° |
| N3 | C27 | H30 | H31 | 120.2° | 120.5° |
| N3 | C22 | N2 | C21 | 179.8° | 180.0° |
| N3 | C22 | N2 | O3 | 180.0° | 179.7° |
| N3 | C22 | C21 | C19 | 174.1° | 165.9° |
| N3 | C22 | C21 | H21 | 67.5° | 47.7° |
| N3 | C22 | C21 | H22 | 55.7° | 75.9° |
| C22 | N3 | C23 | H23 | 110.9° | 113.8° |
| C22 | N3 | C23 | H24 | 9.3° | 6.5° |
| C22 | N3 | C27 | H30 | 9.3° | 6.6° |
| C22 | N3 | C27 | H31 | 110.9° | 113.8° |
| C22 | N2 | O3 | C19 | 6.2° | 16.0° |
| N2 | C22 | C21 | C19 | 6.1° | 14.2° |
| N2 | C22 | C21 | H21 | 112.3° | 132.4° |
| N2 | C22 | C21 | H22 | 124.5° | 104.1° |
| O3 | N2 | C22 | C21 | 0.2° | 0.2° |
| N2 | O3 | C19 | C21 | 8.7° | 23.6° |
| N2 | O3 | C19 | C18 | 150.8° | 152.7° |
| N2 | O3 | C19 | C20 | 126.6° | 105.3° |
| C22 | C21 | C19 | O3 | 8.5° | 22.6° |
| C22 | C21 | C19 | H21 | 118.4° | 118.2° |
| C22 | C21 | C19 | H22 | 118.4° | 118.3° |
| C22 | C21 | C19 | C18 | 124.6° | 152.1° |
| C22 | C21 | C19 | C20 | 107.7° | 106.8° |
| C22 | C21 | H21 | H22 | 124.5° | 123.7° |
| O3 | C19 | C21 | C18 | 116.1° | 129.5° |
| O3 | C19 | C21 | C20 | 116.2° | 129.4° |
| O3 | C19 | C18 | C20 | 101.2° | 119.1° |
| O3 | C19 | C18 | N1 | 112.4° | 96.1° |
| O3 | C19 | C20 | N1 | 108.5° | 96.2° |
| O3 | C19 | C18 | H15 | 3.3° | 18.1° |
| O3 | C19 | C18 | H16 | 131.8° | 149.6° |
| O3 | C19 | C20 | H19 | 135.8° | 149.6° |
| O3 | C19 | C20 | H20 | 7.2° | 18.1° |
| O3 | C19 | C21 | H21 | 109.9° | 140.8° |
| O3 | C19 | C21 | H22 | 126.9° | 95.8° |
| C21 | C19 | C18 | C20 | 142.1° | 118.2° |
| C21 | C19 | C18 | N1 | 130.8° | 141.2° |
| C21 | C19 | C20 | N1 | 136.0° | 141.2° |
| C21 | C19 | C18 | H15 | 113.4° | 104.6° |
| C21 | C19 | C18 | H16 | 15.1° | 26.9° |
| C21 | C19 | C20 | H19 | 20.2° | 27.0° |
| C21 | C19 | C20 | H20 | 108.3° | 104.4° |
| C19 | C21 | H21 | H22 | 124.6° | 123.5° |
| C19 | C18 | N1 | H15 | 115.7° | 114.2° |
| C19 | C18 | N1 | H16 | 115.7° | 114.1° |
| C19 | C18 | N1 | C20 | 14.0° | 23.7° |
| C19 | C18 | N1 | C17 | 133.1° | 89.4° |
| C19 | C18 | H15 | H16 | 131.2° | 131.9° |
| C18 | C19 | C20 | H19 | 126.9° | 91.2° |
| C18 | C19 | C20 | H20 | 104.5° | 137.3° |
| C18 | C19 | C21 | H21 | 6.2° | 89.7° |
| C18 | C19 | C21 | H22 | 117.0° | 33.7° |
| C18 | N1 | C20 | C17 | 118.9° | 113.0° |
| C18 | N1 | C17 | C5 | 179.9° | 170.0° |
| C18 | N1 | C17 | H13 | 60.3° | 49.9° |
| C18 | N1 | C17 | H14 | 60.2° | 70.1° |
| N1 | C18 | H15 | H16 | 131.2° | 132.1° |
| C18 | N1 | C20 | H19 | 129.7° | 90.5° |
| C18 | N1 | C20 | H20 | 101.7° | 137.9° |
| C19 | C20 | N1 | H19 | 115.7° | 114.2° |
| C19 | C20 | N1 | H20 | 115.7° | 114.3° |
| C19 | C20 | N1 | C17 | 132.9° | 89.3° |
| C20 | C19 | C18 | H15 | 104.5° | 137.2° |
| C20 | C19 | C18 | H16 | 127.0° | 91.3° |
| C19 | C20 | H19 | H20 | 131.3° | 131.9° |
| C20 | C19 | C21 | H21 | 133.9° | 11.4° |
| C20 | C19 | C21 | H22 | 10.6° | 134.9° |
| C20 | N1 | C17 | C5 | 64.8° | 90.3° |
| C20 | N1 | C17 | H13 | 54.9° | 149.6° |
| C20 | N1 | C17 | H14 | 175.4° | 29.7° |
| C20 | N1 | C18 | H15 | 101.7° | 137.9° |
| C20 | N1 | C18 | H16 | 129.7° | 90.5° |
| N1 | C20 | H19 | H20 | 131.3° | 132.0° |
| N1 | C17 | C5 | H13 | 119.7° | 120.1° |
| N1 | C17 | C5 | H14 | 119.7° | 120.0° |
| N1 | C17 | C5 | C4 | 113.2° | 90.0° |
| N1 | C17 | C5 | C6 | 66.0° | 90.1° |
| N1 | C17 | H13 | H14 | 120.8° | 120.0° |
| C17 | N1 | C18 | H15 | 17.3° | 24.8° |
| C17 | N1 | C18 | H16 | 111.2° | 156.5° |
| C17 | N1 | C20 | H19 | 111.3° | 156.5° |
| C17 | N1 | C20 | H20 | 17.2° | 24.9° |
| C17 | C5 | C4 | C6 | 179.2° | 180.0° |
| C17 | C5 | C4 | C3 | 179.5° | 179.9° |
| C17 | C5 | C6 | C7 | 179.6° | 180.0° |
| C5 | C17 | H13 | H14 | 120.8° | 120.0° |
| C17 | C5 | C4 | H32 | 0.5° | 0.0° |
| C17 | C5 | C6 | H33 | 0.4° | 0.1° |
| C5 | C4 | C3 | H32 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C4 | C3 | O1 | 179.7° | 180.0° |
| C5 | C4 | C3 | C8 | 0.2° | 0.4° |
| C4 | C5 | C17 | H13 | 6.5° | 150.0° |
| C4 | C5 | C17 | H14 | 127.1° | 30.0° |
| C4 | C5 | C6 | H33 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C7 | H33 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.2° |
| C5 | C6 | C7 | O2 | 179.8° | 180.0° |
| C6 | C5 | C17 | H13 | 174.3° | 30.0° |
| C6 | C5 | C17 | H14 | 53.7° | 150.0° |
| C6 | C5 | C4 | H32 | 179.7° | 179.9° |
| C4 | C3 | O1 | C2 | 34.8° | 0.3° |
| C4 | C3 | O1 | C8 | 179.5° | 179.6° |
| C4 | C3 | C8 | C7 | 0.6° | 0.6° |
| C4 | C3 | C8 | C9 | 179.6° | 179.7° |
| C1 | C2 | O1 | H17 | 120.0° | 120.0° |
| C1 | C2 | O1 | H18 | 120.0° | 120.0° |
| C1 | C2 | O1 | C3 | 81.6° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H17 | H18 | 119.9° | 120.0° |
| C2 | O1 | C3 | C8 | 144.7° | 180.0° |
| O1 | C2 | C1 | H1 | 180.0° | 60.0° |
| O1 | C2 | C1 | H2 | 60.0° | 60.0° |
| O1 | C2 | C1 | H3 | 60.0° | 179.9° |
| O1 | C2 | H17 | H18 | 120.0° | 120.0° |
| C6 | C7 | C8 | C3 | 0.4° | 0.6° |
| C6 | C7 | C8 | O2 | 179.8° | 179.8° |
| C6 | C7 | C8 | C9 | 179.5° | 179.7° |
| C6 | C7 | O2 | C15 | 35.2° | 0.0° |
| O1 | C3 | C8 | C7 | 180.0° | 179.7° |
| O1 | C3 | C8 | C9 | 0.9° | 0.0° |
| C3 | O1 | C2 | H17 | 38.5° | 60.0° |
| C3 | O1 | C2 | H18 | 158.4° | 60.0° |
| O1 | C3 | C4 | H32 | 0.3° | 0.1° |
| C3 | C8 | C7 | C9 | 179.0° | 179.7° |
| C3 | C8 | C7 | O2 | 179.7° | 179.7° |
| C3 | C8 | C9 | C10 | 65.0° | 115.0° |
| C3 | C8 | C9 | C14 | 115.6° | 64.6° |
| C8 | C3 | C4 | H32 | 179.8° | 179.7° |
| C8 | C7 | O2 | C15 | 145.0° | 179.7° |
| C7 | C8 | C9 | C10 | 114.0° | 64.7° |
| C7 | C8 | C9 | C14 | 65.4° | 115.7° |
| C8 | C7 | C6 | H33 | 180.0° | 179.7° |
| O2 | C7 | C8 | C9 | 0.7° | 0.0° |
| C7 | O2 | C15 | C16 | 149.3° | 180.0° |
| C7 | O2 | C15 | H8 | 90.8° | 60.0° |
| C7 | O2 | C15 | H9 | 29.4° | 60.0° |
| O2 | C7 | C6 | H33 | 0.2° | 0.1° |
| C8 | C9 | C10 | C14 | 179.4° | 179.6° |
| C8 | C9 | C10 | C11 | 179.9° | 180.0° |
| C8 | C9 | C14 | C13 | 179.8° | 179.9° |
| C8 | C9 | C10 | H4 | 0.2° | 0.3° |
| C8 | C9 | C14 | H7 | 0.3° | 0.1° |
| O2 | C15 | C16 | H8 | 119.9° | 120.0° |
| O2 | C15 | C16 | H9 | 119.9° | 120.0° |
| O2 | C15 | H8 | H9 | 120.3° | 120.0° |
| O2 | C15 | C16 | H10 | 180.0° | 60.0° |
| O2 | C15 | C16 | H11 | 60.0° | 179.9° |
| O2 | C15 | C16 | H12 | 60.0° | 60.0° |
| C16 | C15 | H8 | H9 | 120.3° | 120.1° |
| C15 | C16 | H10 | H11 | 120.0° | 119.9° |
| C15 | C16 | H10 | H12 | 120.0° | 120.1° |
| C15 | C16 | H11 | H12 | 120.0° | 120.1° |
| C9 | C10 | C11 | H4 | 180.0° | 179.7° |
| C10 | C9 | C14 | C13 | 0.4° | 0.4° |
| C9 | C10 | C11 | C12 | 0.3° | 0.3° |
| C9 | C10 | C11 | H5 | 179.7° | 179.8° |
| C10 | C9 | C14 | H7 | 179.7° | 179.7° |
| C14 | C9 | C10 | C11 | 0.4° | 0.5° |
| C9 | C14 | C13 | H7 | 180.0° | 179.9° |
| C9 | C14 | C13 | C12 | 0.2° | 0.1° |
| C14 | C9 | C10 | H4 | 179.6° | 179.8° |
| C9 | C14 | C13 | H6 | 179.8° | 179.8° |
| C10 | C11 | C12 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | F1 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | F1 | 180.0° | 180.0° |
| C11 | C12 | C13 | F1 | 179.9° | 180.0° |
| C12 | C11 | C10 | H4 | 179.7° | 180.0° |
| C11 | C12 | C13 | H6 | 179.9° | 180.0° |
| C13 | C12 | C11 | H5 | 179.9° | 179.9° |
| C12 | C13 | C14 | H7 | 179.8° | 179.9° |
| F1 | C12 | C11 | H5 | 0.0° | 0.1° |
| F1 | C12 | C13 | H6 | 0.0° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H17 | 60.0° | 60.0° |
| H1 | C1 | C2 | H18 | 59.9° | 180.0° |
| H2 | C1 | C2 | H17 | 60.0° | 179.9° |
| H2 | C1 | C2 | H18 | 179.9° | 60.0° |
| H3 | C1 | C2 | H17 | 179.9° | 60.0° |
| H3 | C1 | C2 | H18 | 60.0° | 60.0° |
| H4 | C10 | C11 | H5 | 0.3° | 0.1° |
| H6 | C13 | C14 | H7 | 0.1° | 0.1° |
| H8 | C15 | C16 | H10 | 60.1° | 180.0° |
| H8 | C15 | C16 | H11 | 179.9° | 60.1° |
| H8 | C15 | C16 | H12 | 59.9° | 60.0° |
| H9 | C15 | C16 | H10 | 60.1° | 59.9° |
| H9 | C15 | C16 | H11 | 59.9° | 60.0° |
| H9 | C15 | C16 | H12 | 179.9° | 180.0° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H23 | C23 | C24 | H25 | 53.6° | 174.9° |
| H23 | C23 | C24 | H26 | 173.7° | 54.8° |
| H24 | C23 | C24 | H25 | 66.6° | 54.6° |
| H24 | C23 | C24 | H26 | 53.5° | 65.5° |
| H25 | C24 | C25 | H27 | 62.1° | 178.6° |
| H26 | C24 | C25 | H27 | 177.8° | 61.3° |
| H27 | C25 | C26 | H28 | 177.9° | 178.6° |
| H27 | C25 | C26 | H29 | 62.1° | 61.3° |
| H28 | C26 | C27 | H30 | 53.5° | 54.5° |
| H28 | C26 | C27 | H31 | 173.6° | 174.8° |
| H29 | C26 | C27 | H30 | 66.6° | 65.6° |
| H29 | C26 | C27 | H31 | 53.6° | 54.7° |
