A1C3O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.45Å | 1.42Å | |
| O1 | C2 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | C33 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C8 | sing | 1.38Å | 1.41Å | |
| N2 | C33 | sing | 1.47Å | 1.45Å | |
| C8 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| C8 | C32 | sing | 1.42Å | 1.41Å | Aromatic |
| N3 | C9 | sing | 1.33Å | 1.31Å | Aromatic |
| C9 | O3 | sing | 1.35Å | 1.35Å | |
| C9 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| O3 | C10 | sing | 1.43Å | 1.41Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | N4 | sing | 1.48Å | 1.47Å | |
| C11 | C17 | sing | 1.54Å | 1.54Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C14 | N4 | sing | 1.48Å | 1.47Å | |
| N4 | C15 | sing | 1.48Å | 1.46Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C16 | F1 | sing | 1.40Å | 1.33Å | |
| C16 | C17 | sing | 1.55Å | 1.52Å | |
| N5 | C18 | sing | 1.34Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C32 | sing | 1.42Å | 1.41Å | Aromatic |
| C19 | F2 | sing | 1.35Å | 1.36Å | |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.47Å | |
| C20 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C30 | sing | 1.42Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | O4 | sing | 1.36Å | 1.36Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.42Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.36Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | F3 | sing | 1.35Å | 1.36Å | |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | F4 | sing | 1.35Å | 1.36Å | |
| C29 | C30 | doub | 1.40Å | 1.43Å | Aromatic |
| N6 | C31 | sing | 1.31Å | 1.34Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 118.0° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | O2 | 122.1° | 120.0° |
| O1 | C2 | N1 | 112.1° | 120.0° |
| O2 | C2 | N1 | 125.8° | 120.0° |
| C2 | N1 | C3 | 131.0° | 120.0° |
| C2 | N1 | H4 | 114.5° | 120.0° |
| N1 | C3 | C4 | 108.7° | 109.5° |
| N1 | C3 | C5 | 107.6° | 109.5° |
| N1 | C3 | C33 | 113.1° | 109.5° |
| C3 | N1 | H4 | 114.5° | 120.0° |
| C4 | C3 | C5 | 107.9° | 109.5° |
| C4 | C3 | C33 | 109.9° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C5 | C3 | C33 | 109.5° | 109.3° |
| C3 | C5 | C6 | 115.0° | 109.1° |
| C3 | C5 | H8 | 108.1° | 109.5° |
| C3 | C5 | H9 | 108.1° | 109.6° |
| C3 | C33 | N2 | 106.0° | 109.5° |
| C3 | C33 | H33 | 110.3° | 109.5° |
| C3 | C33 | H34 | 110.4° | 109.5° |
| C5 | C6 | C7 | 111.6° | 109.3° |
| C6 | C5 | H8 | 108.1° | 109.5° |
| C6 | C5 | H9 | 108.1° | 109.5° |
| C5 | C6 | H10 | 108.9° | 109.5° |
| C5 | C6 | H11 | 108.9° | 109.5° |
| C6 | C7 | N2 | 105.2° | 109.5° |
| C7 | C6 | H10 | 108.9° | 109.5° |
| C7 | C6 | H11 | 108.9° | 109.5° |
| C6 | C7 | H12 | 110.5° | 109.5° |
| C6 | C7 | H13 | 110.6° | 109.5° |
| C7 | N2 | C8 | 120.0° | 111.0° |
| C7 | N2 | C33 | 116.4° | 111.2° |
| N2 | C7 | H12 | 110.5° | 109.5° |
| N2 | C7 | H13 | 110.5° | 109.5° |
| C8 | N2 | C33 | 122.8° | 111.0° |
| N2 | C8 | N3 | 108.9° | 120.9° |
| N2 | C8 | C32 | 130.3° | 120.9° |
| N2 | C33 | H33 | 110.3° | 109.5° |
| N2 | C33 | H34 | 110.3° | 109.5° |
| N3 | C8 | C32 | 120.7° | 118.2° |
| C8 | N3 | C9 | 119.2° | 121.6° |
| C8 | C32 | C18 | 115.9° | 118.2° |
| C8 | C32 | C31 | 126.4° | 122.6° |
| N3 | C9 | O3 | 114.1° | 118.6° |
| N3 | C9 | N5 | 126.1° | 122.8° |
| O3 | C9 | N5 | 119.7° | 118.6° |
| C9 | O3 | C10 | 118.2° | 117.0° |
| C9 | N5 | C18 | 116.8° | 120.3° |
| O3 | C10 | C11 | 107.9° | 109.5° |
| O3 | C10 | H14 | 109.9° | 109.5° |
| O3 | C10 | H15 | 109.8° | 109.5° |
| C10 | C11 | C12 | 112.3° | 110.9° |
| C10 | C11 | N4 | 103.8° | 110.9° |
| C10 | C11 | C17 | 113.7° | 111.7° |
| C11 | C10 | H14 | 109.9° | 109.5° |
| C11 | C10 | H15 | 109.9° | 109.5° |
| C12 | C11 | N4 | 105.2° | 107.1° |
| C12 | C11 | C17 | 113.7° | 108.8° |
| C11 | C12 | C13 | 105.0° | 103.1° |
| C11 | C12 | H16 | 110.5° | 110.7° |
| C11 | C12 | H17 | 110.6° | 110.7° |
| N4 | C11 | C17 | 107.2° | 107.2° |
| C11 | N4 | C14 | 108.9° | 108.5° |
| C11 | N4 | C15 | 110.3° | 108.4° |
| C11 | C17 | C16 | 106.8° | 103.1° |
| C11 | C17 | H25 | 110.1° | 110.7° |
| C11 | C17 | H26 | 110.1° | 110.7° |
| C12 | C13 | C14 | 102.0° | 101.6° |
| C13 | C12 | H16 | 110.6° | 110.7° |
| C13 | C12 | H17 | 110.6° | 110.7° |
| C12 | C13 | H18 | 111.3° | 111.0° |
| C12 | C13 | H19 | 111.3° | 111.0° |
| C13 | C14 | N4 | 104.7° | 104.8° |
| C14 | C13 | H18 | 111.3° | 111.0° |
| C14 | C13 | H19 | 111.3° | 111.0° |
| C13 | C14 | H20 | 110.7° | 110.4° |
| C13 | C14 | H21 | 110.7° | 110.4° |
| C14 | N4 | C15 | 111.4° | 110.0° |
| N4 | C14 | H20 | 110.6° | 110.3° |
| N4 | C14 | H21 | 110.6° | 110.4° |
| N4 | C15 | C16 | 108.1° | 104.8° |
| N4 | C15 | H22 | 109.8° | 110.3° |
| N4 | C15 | H23 | 109.8° | 110.4° |
| C15 | C16 | F1 | 109.7° | 111.0° |
| C15 | C16 | C17 | 106.8° | 101.6° |
| C16 | C15 | H22 | 109.8° | 110.4° |
| C16 | C15 | H23 | 109.8° | 110.4° |
| C15 | C16 | H24 | 108.8° | 111.0° |
| F1 | C16 | C17 | 110.9° | 111.0° |
| F1 | C16 | H24 | 111.6° | 110.9° |
| C17 | C16 | H24 | 108.8° | 111.0° |
| C16 | C17 | H25 | 110.1° | 110.7° |
| C16 | C17 | H26 | 110.1° | 110.7° |
| N5 | C18 | C19 | 121.3° | 122.8° |
| N5 | C18 | C32 | 121.3° | 119.0° |
| C19 | C18 | C32 | 117.3° | 118.2° |
| C18 | C19 | F2 | 120.3° | 120.8° |
| C18 | C19 | C20 | 119.9° | 118.4° |
| C18 | C32 | C31 | 117.7° | 119.2° |
| F2 | C19 | C20 | 119.8° | 120.8° |
| C19 | C20 | C21 | 122.8° | 119.3° |
| C19 | C20 | N6 | 122.7° | 121.4° |
| C21 | C20 | N6 | 114.5° | 119.3° |
| C20 | C21 | C22 | 116.8° | 120.2° |
| C20 | C21 | C30 | 123.8° | 120.2° |
| C20 | N6 | C31 | 117.2° | 122.5° |
| C22 | C21 | C30 | 119.4° | 119.6° |
| C21 | C22 | C23 | 121.2° | 120.6° |
| C21 | C22 | H27 | 119.4° | 119.7° |
| C21 | C30 | C25 | 118.5° | 119.4° |
| C21 | C30 | C29 | 124.1° | 121.1° |
| C22 | C23 | O4 | 121.0° | 119.6° |
| C22 | C23 | C24 | 119.7° | 120.9° |
| C23 | C22 | H27 | 119.4° | 119.7° |
| O4 | C23 | C24 | 119.3° | 119.6° |
| C23 | O4 | H28 | 109.5° | 114.0° |
| C23 | C24 | C25 | 120.4° | 119.9° |
| C23 | C24 | H29 | 119.8° | 120.0° |
| C24 | C25 | C26 | 118.1° | 121.0° |
| C24 | C25 | C30 | 120.8° | 119.6° |
| C25 | C24 | H29 | 119.8° | 120.0° |
| C26 | C25 | C30 | 121.1° | 119.4° |
| C25 | C26 | C27 | 120.5° | 120.0° |
| C25 | C26 | H30 | 119.7° | 120.1° |
| C25 | C30 | C29 | 117.4° | 119.4° |
| C26 | C27 | C28 | 119.3° | 120.9° |
| C27 | C26 | H30 | 119.8° | 120.0° |
| C26 | C27 | H31 | 120.3° | 119.6° |
| C27 | C28 | F3 | 119.7° | 119.6° |
| C27 | C28 | C29 | 120.9° | 120.7° |
| C28 | C27 | H31 | 120.3° | 119.5° |
| F3 | C28 | C29 | 119.5° | 119.7° |
| C28 | C29 | F4 | 115.8° | 120.2° |
| C28 | C29 | C30 | 120.8° | 119.6° |
| F4 | C29 | C30 | 123.3° | 120.2° |
| N6 | C31 | C32 | 125.1° | 120.2° |
| N6 | C31 | H32 | 117.5° | 119.9° |
| C32 | C31 | H32 | 117.4° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H16 | C12 | H17 | 109.5° | 110.8° |
| H18 | C13 | H19 | 109.5° | 111.0° |
| H20 | C14 | H21 | 109.5° | 110.4° |
| H22 | C15 | H23 | 109.5° | 110.3° |
| H25 | C17 | H26 | 109.5° | 110.7° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.4° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H5 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.6° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | O2 | 0.3° | 0.0° |
| C1 | O1 | C2 | N1 | 179.9° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C2 | O2 | N1 | 179.8° | 180.0° |
| O1 | C2 | N1 | C3 | 20.1° | 180.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | N1 | H4 | 159.9° | 0.0° |
| O2 | C2 | N1 | C3 | 160.1° | 0.0° |
| O2 | C2 | N1 | H4 | 19.9° | 180.0° |
| C2 | N1 | C3 | H4 | 180.0° | 180.0° |
| C2 | N1 | C3 | C4 | 56.1° | 60.0° |
| C2 | N1 | C3 | C5 | 172.7° | 60.1° |
| C2 | N1 | C3 | C33 | 66.3° | 179.9° |
| N1 | C3 | C4 | C5 | 116.4° | 120.0° |
| N1 | C3 | C4 | C33 | 124.3° | 120.1° |
| N1 | C3 | C5 | C33 | 123.3° | 120.0° |
| N1 | C3 | C5 | C6 | 76.3° | 177.6° |
| N1 | C3 | C33 | N2 | 66.8° | 179.1° |
| N1 | C3 | C33 | H33 | 173.8° | 60.8° |
| N1 | C3 | C33 | H34 | 52.7° | 59.1° |
| N1 | C3 | C4 | H5 | 180.0° | 60.1° |
| N1 | C3 | C4 | H6 | 60.0° | 59.9° |
| N1 | C3 | C4 | H7 | 60.0° | 179.9° |
| N1 | C3 | C5 | H8 | 44.4° | 57.8° |
| N1 | C3 | C5 | H9 | 162.8° | 62.5° |
| C4 | C3 | C5 | C33 | 119.6° | 120.0° |
| C4 | C3 | C5 | C6 | 166.5° | 62.3° |
| C4 | C3 | C33 | N2 | 171.5° | 60.8° |
| C4 | C3 | C33 | H33 | 52.1° | 59.3° |
| C4 | C3 | C33 | H34 | 69.0° | 179.2° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C4 | C3 | C5 | H8 | 72.7° | 177.9° |
| C4 | C3 | C5 | H9 | 45.7° | 57.6° |
| C4 | C3 | N1 | H4 | 123.9° | 120.0° |
| C3 | C5 | C6 | H8 | 120.8° | 119.9° |
| C3 | C5 | C6 | H9 | 120.8° | 119.9° |
| C3 | C5 | C6 | C7 | 47.1° | 57.7° |
| C5 | C3 | C33 | N2 | 53.2° | 59.2° |
| C5 | C3 | C33 | H33 | 66.2° | 179.2° |
| C5 | C3 | C33 | H34 | 172.7° | 60.8° |
| C5 | C3 | C4 | H5 | 63.6° | 60.0° |
| C5 | C3 | C4 | H6 | 56.4° | 179.9° |
| C5 | C3 | C4 | H7 | 176.4° | 60.0° |
| C3 | C5 | H8 | H9 | 117.5° | 120.2° |
| C3 | C5 | C6 | H10 | 73.2° | 177.6° |
| C3 | C5 | C6 | H11 | 167.5° | 62.3° |
| C5 | C3 | N1 | H4 | 7.3° | 119.9° |
| C33 | C3 | C5 | C6 | 47.0° | 57.7° |
| C3 | C33 | N2 | C7 | 69.7° | 61.7° |
| C3 | C33 | N2 | C8 | 99.9° | 174.2° |
| C3 | C33 | N2 | H33 | 119.5° | 120.0° |
| C3 | C33 | N2 | H34 | 119.5° | 120.0° |
| C3 | C33 | H33 | H34 | 121.6° | 120.0° |
| C33 | C3 | C4 | H5 | 55.7° | 179.8° |
| C33 | C3 | C4 | H6 | 175.7° | 60.2° |
| C33 | C3 | C4 | H7 | 64.3° | 59.8° |
| C33 | C3 | C5 | H8 | 167.8° | 62.2° |
| C33 | C3 | C5 | H9 | 73.9° | 177.6° |
| C33 | C3 | N1 | H4 | 113.7° | 0.1° |
| C5 | C6 | C7 | H10 | 120.3° | 119.9° |
| C5 | C6 | C7 | H11 | 120.3° | 120.0° |
| C5 | C6 | C7 | N2 | 52.2° | 59.2° |
| C6 | C5 | H8 | H9 | 117.5° | 120.2° |
| C5 | C6 | H10 | H11 | 119.0° | 120.1° |
| C5 | C6 | C7 | H12 | 171.5° | 60.8° |
| C5 | C6 | C7 | H13 | 67.1° | 179.2° |
| C6 | C7 | N2 | H12 | 119.3° | 120.1° |
| C6 | C7 | N2 | H13 | 119.3° | 120.0° |
| C6 | C7 | N2 | C8 | 101.6° | 174.2° |
| C6 | C7 | N2 | C33 | 68.3° | 61.8° |
| C7 | C6 | C5 | H8 | 167.9° | 62.2° |
| C7 | C6 | C5 | H9 | 73.7° | 177.6° |
| C7 | C6 | H10 | H11 | 119.0° | 120.1° |
| C6 | C7 | H12 | H13 | 122.0° | 120.0° |
| C7 | N2 | C8 | C33 | 169.3° | 124.2° |
| C7 | N2 | C8 | N3 | 16.6° | 62.3° |
| C7 | N2 | C8 | C32 | 166.7° | 117.6° |
| C7 | N2 | C33 | H33 | 49.7° | 178.2° |
| C7 | N2 | C33 | H34 | 170.8° | 58.2° |
| N2 | C7 | C6 | H10 | 68.2° | 179.2° |
| N2 | C7 | C6 | H11 | 172.5° | 60.7° |
| N2 | C7 | H12 | H13 | 122.0° | 119.9° |
| N2 | C8 | N3 | C32 | 177.1° | 179.9° |
| N2 | C8 | N3 | C9 | 177.5° | 180.0° |
| N2 | C8 | C32 | C18 | 177.6° | 180.0° |
| N2 | C8 | C32 | C31 | 4.1° | 0.0° |
| C8 | N2 | C33 | H33 | 140.6° | 54.1° |
| C8 | N2 | C33 | H34 | 19.6° | 65.8° |
| C8 | N2 | C7 | H12 | 17.7° | 65.7° |
| C8 | N2 | C7 | H13 | 139.0° | 54.2° |
| C33 | N2 | C8 | N3 | 152.7° | 61.9° |
| C33 | N2 | C8 | C32 | 24.0° | 118.2° |
| N2 | C33 | H33 | H34 | 121.6° | 120.0° |
| C33 | N2 | C7 | H12 | 172.3° | 58.3° |
| C33 | N2 | C7 | H13 | 51.0° | 178.2° |
| C8 | N3 | C9 | O3 | 178.6° | 179.8° |
| C8 | N3 | C9 | N5 | 1.1° | 0.3° |
| N3 | C8 | C32 | C18 | 1.3° | 0.0° |
| N3 | C8 | C32 | C31 | 179.6° | 180.0° |
| C32 | C8 | N3 | C9 | 0.4° | 0.0° |
| C8 | C32 | C18 | N5 | 0.8° | 0.3° |
| C8 | C32 | C18 | C19 | 179.4° | 180.0° |
| C8 | C32 | C18 | C31 | 178.5° | 180.0° |
| C8 | C32 | C31 | N6 | 179.6° | 180.0° |
| C8 | C32 | C31 | H32 | 0.5° | 0.0° |
| N3 | C9 | O3 | N5 | 177.7° | 179.5° |
| N3 | C9 | O3 | C10 | 141.4° | 179.5° |
| N3 | C9 | N5 | C18 | 1.5° | 0.6° |
| C9 | O3 | C10 | C11 | 173.6° | 180.0° |
| O3 | C9 | N5 | C18 | 179.0° | 180.0° |
| C9 | O3 | C10 | H14 | 53.8° | 60.0° |
| C9 | O3 | C10 | H15 | 66.6° | 60.0° |
| N5 | C9 | O3 | C10 | 36.3° | 0.0° |
| C9 | N5 | C18 | C19 | 179.3° | 179.7° |
| C9 | N5 | C18 | C32 | 0.5° | 0.5° |
| O3 | C10 | C11 | H14 | 119.7° | 120.0° |
| O3 | C10 | C11 | H15 | 119.7° | 120.0° |
| O3 | C10 | C11 | C12 | 20.8° | 61.0° |
| O3 | C10 | C11 | N4 | 133.9° | 179.9° |
| O3 | C10 | C11 | C17 | 110.0° | 60.6° |
| O3 | C10 | H14 | H15 | 120.7° | 120.0° |
| C10 | C11 | C12 | N4 | 112.3° | 121.2° |
| C10 | C11 | C12 | C17 | 130.8° | 123.2° |
| C10 | C11 | N4 | C17 | 120.6° | 122.2° |
| C10 | C11 | C12 | C13 | 129.4° | 143.2° |
| C10 | C11 | N4 | C14 | 111.5° | 119.8° |
| C10 | C11 | N4 | C15 | 125.9° | 120.8° |
| C10 | C11 | C17 | C16 | 114.4° | 143.7° |
| C10 | C11 | C12 | H16 | 111.3° | 98.4° |
| C10 | C11 | C12 | H17 | 10.1° | 24.8° |
| C10 | C11 | C17 | H25 | 5.2° | 25.3° |
| C10 | C11 | C17 | H26 | 126.0° | 97.8° |
| C11 | C10 | H14 | H15 | 120.7° | 120.0° |
| C12 | C11 | N4 | C17 | 121.3° | 116.7° |
| C11 | C12 | C13 | H16 | 119.3° | 118.3° |
| C11 | C12 | C13 | H17 | 119.3° | 118.4° |
| C11 | C12 | C13 | C14 | 33.2° | 35.7° |
| C12 | C11 | N4 | C14 | 6.7° | 1.4° |
| C12 | C11 | N4 | C15 | 115.9° | 118.1° |
| C12 | C11 | C17 | C16 | 115.5° | 93.5° |
| C11 | C12 | H16 | H17 | 122.1° | 123.2° |
| C11 | C12 | C13 | H18 | 85.6° | 82.4° |
| C11 | C12 | C13 | H19 | 152.0° | 153.7° |
| C12 | C11 | C17 | H25 | 124.9° | 148.0° |
| C12 | C11 | C17 | H26 | 4.1° | 24.9° |
| C12 | C11 | C10 | H14 | 98.9° | 59.0° |
| C12 | C11 | C10 | H15 | 140.6° | 179.0° |
| N4 | C11 | C12 | C13 | 17.1° | 22.0° |
| C11 | N4 | C14 | C13 | 27.9° | 24.5° |
| C11 | N4 | C14 | C15 | 122.0° | 118.4° |
| C11 | N4 | C15 | C16 | 8.3° | 24.5° |
| N4 | C11 | C17 | C16 | 0.3° | 22.0° |
| N4 | C11 | C12 | H16 | 136.4° | 140.4° |
| N4 | C11 | C12 | H17 | 102.1° | 96.4° |
| C11 | N4 | C14 | H20 | 147.2° | 143.3° |
| C11 | N4 | C14 | H21 | 91.3° | 94.4° |
| C11 | N4 | C15 | H22 | 111.5° | 94.4° |
| C11 | N4 | C15 | H23 | 128.1° | 143.4° |
| N4 | C11 | C17 | H25 | 119.3° | 96.4° |
| N4 | C11 | C17 | H26 | 119.9° | 140.5° |
| N4 | C11 | C10 | H14 | 14.2° | 60.0° |
| N4 | C11 | C10 | H15 | 106.3° | 60.1° |
| C17 | C11 | C12 | C13 | 99.8° | 93.6° |
| C17 | C11 | N4 | C14 | 127.9° | 118.1° |
| C17 | C11 | N4 | C15 | 5.3° | 1.4° |
| C11 | C17 | C16 | C15 | 4.6° | 35.6° |
| C11 | C17 | C16 | F1 | 124.1° | 82.5° |
| C11 | C17 | C16 | H25 | 119.6° | 118.4° |
| C11 | C17 | C16 | H26 | 119.6° | 118.5° |
| C17 | C11 | C12 | H16 | 19.5° | 24.8° |
| C17 | C11 | C12 | H17 | 140.9° | 148.0° |
| C11 | C17 | C16 | H24 | 112.8° | 153.7° |
| C11 | C17 | H25 | H26 | 121.2° | 123.1° |
| C17 | C11 | C10 | H14 | 130.3° | 179.5° |
| C17 | C11 | C10 | H15 | 9.8° | 59.5° |
| C12 | C13 | C14 | H18 | 118.8° | 118.1° |
| C12 | C13 | C14 | H19 | 118.8° | 118.0° |
| C12 | C13 | C14 | N4 | 37.5° | 37.3° |
| C13 | C12 | H16 | H17 | 122.1° | 123.2° |
| C12 | C13 | H18 | H19 | 123.5° | 123.8° |
| C12 | C13 | C14 | H20 | 156.7° | 156.1° |
| C12 | C13 | C14 | H21 | 81.7° | 81.5° |
| C13 | C14 | N4 | H20 | 119.2° | 118.8° |
| C13 | C14 | N4 | H21 | 119.2° | 118.9° |
| C13 | C14 | N4 | C15 | 94.0° | 93.9° |
| C14 | C13 | C12 | H16 | 152.5° | 154.0° |
| C14 | C13 | C12 | H17 | 86.1° | 82.7° |
| C14 | C13 | H18 | H19 | 123.5° | 123.9° |
| C13 | C14 | H20 | H21 | 122.3° | 122.3° |
| C14 | N4 | C15 | C16 | 129.5° | 94.0° |
| N4 | C14 | C13 | H18 | 81.3° | 80.7° |
| N4 | C14 | C13 | H19 | 156.3° | 155.4° |
| N4 | C14 | H20 | H21 | 122.2° | 122.3° |
| C14 | N4 | C15 | H22 | 9.7° | 147.1° |
| C14 | N4 | C15 | H23 | 110.7° | 24.9° |
| N4 | C15 | C16 | H22 | 119.8° | 118.8° |
| N4 | C15 | C16 | H23 | 119.8° | 118.9° |
| N4 | C15 | C16 | F1 | 128.2° | 80.8° |
| N4 | C15 | C16 | C17 | 7.9° | 37.3° |
| C15 | N4 | C14 | H20 | 25.2° | 24.9° |
| C15 | N4 | C14 | H21 | 146.7° | 147.2° |
| N4 | C15 | H22 | H23 | 120.6° | 122.3° |
| N4 | C15 | C16 | H24 | 109.5° | 155.4° |
| C15 | C16 | F1 | C17 | 117.8° | 112.2° |
| C15 | C16 | F1 | H24 | 120.7° | 123.9° |
| C15 | C16 | C17 | H24 | 117.4° | 118.1° |
| C16 | C15 | H22 | H23 | 120.6° | 122.3° |
| C15 | C16 | C17 | H25 | 124.2° | 82.8° |
| C15 | C16 | C17 | H26 | 115.0° | 154.1° |
| F1 | C16 | C17 | H24 | 123.1° | 123.8° |
| F1 | C16 | C15 | H22 | 8.4° | 160.4° |
| F1 | C16 | C15 | H23 | 112.0° | 38.2° |
| F1 | C16 | C17 | H25 | 116.3° | 159.1° |
| F1 | C16 | C17 | H26 | 4.5° | 36.0° |
| C17 | C16 | C15 | H22 | 111.9° | 81.5° |
| C17 | C16 | C15 | H23 | 127.7° | 156.2° |
| C16 | C17 | H25 | H26 | 121.2° | 123.2° |
| N5 | C18 | C19 | C32 | 179.8° | 179.7° |
| N5 | C18 | C19 | F2 | 0.0° | 0.3° |
| N5 | C18 | C19 | C20 | 179.7° | 179.7° |
| N5 | C18 | C32 | C31 | 179.3° | 179.7° |
| C18 | C19 | F2 | C20 | 179.7° | 179.9° |
| C18 | C19 | C20 | C21 | 179.5° | 180.0° |
| C18 | C19 | C20 | N6 | 0.2° | 0.0° |
| C19 | C18 | C32 | C31 | 0.9° | 0.0° |
| C32 | C18 | C19 | F2 | 179.8° | 179.9° |
| C32 | C18 | C19 | C20 | 0.4° | 0.0° |
| C18 | C32 | C31 | N6 | 1.3° | 0.0° |
| C18 | C32 | C31 | H32 | 178.7° | 180.0° |
| F2 | C19 | C20 | C21 | 0.7° | 0.1° |
| F2 | C19 | C20 | N6 | 179.9° | 180.0° |
| C19 | C20 | C21 | N6 | 179.4° | 180.0° |
| C19 | C20 | C21 | C22 | 109.3° | 86.5° |
| C19 | C20 | C21 | C30 | 70.8° | 93.7° |
| C19 | C20 | N6 | C31 | 0.4° | 0.0° |
| C20 | C21 | C22 | C30 | 179.9° | 179.7° |
| C20 | C21 | C22 | C23 | 179.9° | 179.9° |
| C20 | C21 | C30 | C25 | 180.0° | 179.8° |
| C20 | C21 | C30 | C29 | 0.5° | 0.5° |
| C21 | C20 | N6 | C31 | 179.8° | 180.0° |
| C20 | C21 | C22 | H27 | 0.1° | 0.1° |
| N6 | C20 | C21 | C22 | 71.3° | 93.4° |
| N6 | C20 | C21 | C30 | 108.6° | 86.3° |
| C20 | N6 | C31 | C32 | 1.0° | 0.0° |
| C20 | N6 | C31 | H32 | 179.0° | 180.0° |
| C21 | C22 | C23 | H27 | 180.0° | 179.9° |
| C21 | C22 | C23 | O4 | 179.8° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C30 | C25 | 0.1° | 0.5° |
| C22 | C21 | C30 | C29 | 179.5° | 179.8° |
| C30 | C21 | C22 | C23 | 0.1° | 0.3° |
| C21 | C30 | C25 | C24 | 0.0° | 0.5° |
| C21 | C30 | C25 | C26 | 180.0° | 179.8° |
| C21 | C30 | C25 | C29 | 179.6° | 179.3° |
| C21 | C30 | C29 | C28 | 180.0° | 179.8° |
| C21 | C30 | C29 | F4 | 0.2° | 0.4° |
| C30 | C21 | C22 | H27 | 179.9° | 179.8° |
| C22 | C23 | O4 | C24 | 179.9° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H29 | 179.9° | 179.9° |
| C22 | C23 | O4 | H28 | 180.0° | 90.0° |
| O4 | C23 | C24 | C25 | 179.9° | 180.0° |
| O4 | C23 | C22 | H27 | 0.2° | 0.1° |
| O4 | C23 | C24 | H29 | 0.2° | 0.0° |
| C23 | C24 | C25 | H29 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 180.0° | 180.0° |
| C23 | C24 | C25 | C30 | 0.1° | 0.2° |
| C24 | C23 | C22 | H27 | 179.9° | 180.0° |
| C24 | C23 | O4 | H28 | 0.1° | 90.0° |
| C24 | C25 | C26 | C30 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C30 | C29 | 179.6° | 179.7° |
| C24 | C25 | C26 | H30 | 0.2° | 0.0° |
| C25 | C26 | C27 | H30 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C30 | C29 | 0.4° | 0.5° |
| C26 | C25 | C24 | H29 | 0.0° | 0.0° |
| C25 | C26 | C27 | H31 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 0.2° | 0.2° |
| C25 | C30 | C29 | C28 | 0.5° | 0.5° |
| C25 | C30 | C29 | F4 | 179.7° | 179.7° |
| C30 | C25 | C24 | H29 | 180.0° | 179.7° |
| C30 | C25 | C26 | H30 | 179.8° | 179.8° |
| C26 | C27 | C28 | H31 | 180.0° | 180.0° |
| C26 | C27 | C28 | F3 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C27 | C28 | F3 | C29 | 179.9° | 180.0° |
| C27 | C28 | C29 | F4 | 179.9° | 179.9° |
| C27 | C28 | C29 | C30 | 0.3° | 0.3° |
| C28 | C27 | C26 | H30 | 180.0° | 180.0° |
| F3 | C28 | C29 | F4 | 0.2° | 0.1° |
| F3 | C28 | C29 | C30 | 179.6° | 179.8° |
| F3 | C28 | C27 | H31 | 0.1° | 0.0° |
| C28 | C29 | F4 | C30 | 179.8° | 179.8° |
| C29 | C28 | C27 | H31 | 179.9° | 180.0° |
| N6 | C31 | C32 | H32 | 180.0° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H16 | C12 | C13 | H18 | 33.7° | 35.9° |
| H16 | C12 | C13 | H19 | 88.8° | 87.9° |
| H17 | C12 | C13 | H18 | 155.1° | 159.2° |
| H17 | C12 | C13 | H19 | 32.7° | 35.3° |
| H18 | C13 | C14 | H20 | 37.9° | 38.1° |
| H18 | C13 | C14 | H21 | 159.5° | 160.4° |
| H19 | C13 | C14 | H20 | 84.5° | 85.8° |
| H19 | C13 | C14 | H21 | 37.1° | 36.5° |
| H22 | C15 | C16 | H24 | 130.8° | 36.6° |
| H23 | C15 | C16 | H24 | 10.3° | 85.6° |
| H24 | C16 | C17 | H25 | 6.8° | 35.3° |
| H24 | C16 | C17 | H26 | 127.6° | 87.8° |
| H30 | C26 | C27 | H31 | 0.0° | 0.1° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H8 | C5 | C6 | H10 | 47.6° | 57.7° |
| H8 | C5 | C6 | H11 | 71.7° | 177.8° |
| H9 | C5 | C6 | H10 | 166.0° | 62.5° |
| H9 | C5 | C6 | H11 | 46.6° | 57.6° |
| H10 | C6 | C7 | H12 | 51.2° | 59.1° |
| H10 | C6 | C7 | H13 | 172.5° | 60.8° |
| H11 | C6 | C7 | H12 | 68.2° | 179.2° |
| H11 | C6 | C7 | H13 | 53.2° | 59.3° |
