A1IYC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| CL1 | C28 | sing | 1.74Å | 1.73Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C31 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | N6 | sing | 1.37Å | 1.41Å | |
| C26 | C19 | sing | 1.51Å | 1.51Å | |
| N6 | C32 | doub | 1.30Å | 1.37Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| C32 | N5 | sing | 1.37Å | 1.35Å | |
| C32 | C33 | sing | 1.51Å | 1.49Å | |
| N5 | C18 | sing | 1.47Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | N4 | sing | 1.46Å | 1.45Å | |
| O6 | C15 | doub | 1.21Å | 1.23Å | |
| N4 | C15 | sing | 1.35Å | 1.33Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | O5 | sing | 1.43Å | 1.42Å | |
| O5 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | O4 | sing | 1.43Å | 1.42Å | |
| O4 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N3 | sing | 1.46Å | 1.45Å | |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C9 | sing | 1.39Å | 1.36Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C37 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.47Å | |
| C37 | C1 | sing | 1.48Å | 1.49Å | |
| C7 | O7 | doub | 1.22Å | 1.22Å | |
| C7 | N1 | sing | 1.35Å | 1.40Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C1 | N1 | sing | 1.35Å | 1.40Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C6 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | N2 | sing | 1.34Å | 1.38Å | |
| C3 | O3 | doub | 1.21Å | 1.21Å | |
| C4 | N2 | sing | 1.34Å | 1.38Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C22 | C23 | C24 | 119.6° | 120.0° |
| C23 | C22 | H26 | 119.9° | 120.0° |
| C22 | C23 | H27 | 120.2° | 120.0° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C22 | C21 | H25 | 119.8° | 120.0° |
| C21 | C22 | H26 | 119.9° | 120.0° |
| C23 | C24 | C25 | 120.1° | 120.0° |
| C24 | C23 | H27 | 120.2° | 119.9° |
| C23 | C24 | H28 | 119.9° | 120.0° |
| CL1 | C28 | C29 | 118.3° | 119.9° |
| CL1 | C28 | C27 | 119.9° | 119.9° |
| C21 | C20 | C25 | 119.2° | 120.0° |
| C21 | C20 | C19 | 119.2° | 120.0° |
| C20 | C21 | H25 | 119.8° | 120.0° |
| C24 | C25 | C20 | 120.4° | 120.0° |
| C25 | C24 | H28 | 119.9° | 120.0° |
| C24 | C25 | H29 | 119.8° | 120.0° |
| C28 | C29 | C30 | 119.5° | 120.2° |
| C29 | C28 | C27 | 121.7° | 120.2° |
| C28 | C29 | H31 | 120.3° | 119.8° |
| C29 | C30 | C31 | 120.3° | 119.8° |
| C30 | C29 | H31 | 120.2° | 119.9° |
| C29 | C30 | H32 | 119.8° | 120.1° |
| C28 | C27 | C26 | 119.0° | 119.9° |
| C28 | C27 | H30 | 120.5° | 120.1° |
| C30 | C31 | C26 | 120.1° | 119.5° |
| C30 | C31 | N6 | 118.1° | 120.5° |
| C31 | C30 | H32 | 119.9° | 120.1° |
| C27 | C26 | C31 | 119.3° | 120.3° |
| C27 | C26 | C19 | 120.2° | 120.8° |
| C26 | C27 | H30 | 120.5° | 120.0° |
| C25 | C20 | C19 | 121.7° | 120.0° |
| C20 | C25 | H29 | 119.8° | 120.0° |
| C20 | C19 | C26 | 112.9° | 109.8° |
| C20 | C19 | N5 | 109.0° | 109.8° |
| C20 | C19 | H39 | 107.5° | 109.8° |
| C26 | C31 | N6 | 121.8° | 120.0° |
| C31 | C26 | C19 | 120.4° | 118.9° |
| C31 | N6 | C32 | 117.1° | 121.2° |
| C26 | C19 | N5 | 111.3° | 107.7° |
| C26 | C19 | H39 | 107.7° | 109.8° |
| N6 | C32 | N5 | 124.0° | 120.4° |
| N6 | C32 | C33 | 113.8° | 119.7° |
| C19 | N5 | C32 | 122.7° | 118.7° |
| C19 | N5 | C18 | 115.9° | 120.7° |
| N5 | C19 | H39 | 108.2° | 109.9° |
| N5 | C32 | C33 | 122.2° | 119.9° |
| C32 | N5 | C18 | 121.0° | 120.7° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H34 | 109.5° | 109.5° |
| C32 | C33 | H35 | 109.5° | 109.5° |
| N5 | C18 | C17 | 114.7° | 109.5° |
| N5 | C18 | H23 | 108.1° | 109.5° |
| N5 | C18 | H24 | 108.2° | 109.4° |
| C18 | C17 | C16 | 111.9° | 109.5° |
| C18 | C17 | H21 | 108.9° | 109.5° |
| C18 | C17 | H22 | 108.8° | 109.5° |
| C17 | C18 | H23 | 108.2° | 109.5° |
| C17 | C18 | H24 | 108.2° | 109.5° |
| C17 | C16 | N4 | 113.3° | 109.5° |
| C17 | C16 | H11 | 108.5° | 109.5° |
| C17 | C16 | H12 | 108.5° | 109.5° |
| C16 | C17 | H21 | 108.9° | 109.5° |
| C16 | C17 | H22 | 108.9° | 109.5° |
| C16 | N4 | C15 | 124.2° | 120.0° |
| N4 | C16 | H11 | 108.5° | 109.4° |
| N4 | C16 | H12 | 108.5° | 109.5° |
| C16 | N4 | H20 | 117.9° | 120.0° |
| O6 | C15 | N4 | 123.3° | 120.0° |
| O6 | C15 | C14 | 119.8° | 120.0° |
| N4 | C15 | C14 | 117.0° | 120.0° |
| C15 | N4 | H20 | 117.9° | 120.0° |
| C15 | C14 | O5 | 112.5° | 109.5° |
| C15 | C14 | H9 | 108.7° | 109.5° |
| C15 | C14 | H10 | 108.7° | 109.5° |
| C14 | O5 | C13 | 114.5° | 114.0° |
| O5 | C14 | H9 | 108.7° | 109.5° |
| O5 | C14 | H10 | 108.7° | 109.5° |
| O5 | C13 | C12 | 109.5° | 109.5° |
| O5 | C13 | H7 | 109.5° | 109.5° |
| O5 | C13 | H8 | 109.5° | 109.5° |
| C13 | C12 | O4 | 109.0° | 109.5° |
| C13 | C12 | H5 | 109.6° | 109.5° |
| C13 | C12 | H6 | 109.6° | 109.5° |
| C12 | C13 | H7 | 109.4° | 109.5° |
| C12 | C13 | H8 | 109.4° | 109.5° |
| C12 | O4 | C11 | 112.7° | 114.0° |
| O4 | C12 | H5 | 109.6° | 109.5° |
| O4 | C12 | H6 | 109.6° | 109.5° |
| O4 | C11 | C10 | 110.5° | 109.4° |
| O4 | C11 | H3 | 109.2° | 109.5° |
| O4 | C11 | H4 | 109.2° | 109.5° |
| C11 | C10 | N3 | 112.1° | 109.5° |
| C10 | C11 | H3 | 109.2° | 109.5° |
| C10 | C11 | H4 | 109.2° | 109.5° |
| C11 | C10 | H18 | 108.8° | 109.5° |
| C11 | C10 | H19 | 108.8° | 109.4° |
| C35 | C34 | C9 | 121.0° | 120.4° |
| C34 | C35 | C36 | 121.1° | 120.7° |
| C35 | C34 | H36 | 119.5° | 119.8° |
| C34 | C35 | H37 | 119.5° | 119.7° |
| C34 | C9 | N3 | 120.7° | 120.3° |
| C34 | C9 | C8 | 118.5° | 119.5° |
| C9 | C34 | H36 | 119.5° | 119.8° |
| C10 | N3 | C9 | 124.6° | 120.0° |
| C10 | N3 | H13 | 105.6° | 119.9° |
| N3 | C10 | H18 | 108.8° | 109.5° |
| N3 | C10 | H19 | 108.8° | 109.5° |
| C35 | C36 | C37 | 117.3° | 119.9° |
| C36 | C35 | H37 | 119.5° | 119.6° |
| C35 | C36 | H38 | 121.4° | 120.1° |
| N3 | C9 | C8 | 120.8° | 120.2° |
| C9 | N3 | H13 | 105.6° | 120.0° |
| C9 | C8 | C37 | 119.4° | 119.7° |
| C9 | C8 | C7 | 132.5° | 134.4° |
| C36 | C37 | C8 | 122.7° | 119.9° |
| C36 | C37 | C1 | 130.2° | 134.3° |
| C37 | C36 | H38 | 121.4° | 120.0° |
| C37 | C8 | C7 | 108.1° | 105.9° |
| C8 | C37 | C1 | 107.1° | 105.8° |
| C8 | C7 | O7 | 129.5° | 125.7° |
| C8 | C7 | N1 | 105.6° | 108.7° |
| C37 | C1 | O1 | 129.0° | 125.7° |
| C37 | C1 | N1 | 105.5° | 108.5° |
| O7 | C7 | N1 | 124.9° | 125.6° |
| C7 | N1 | C1 | 109.7° | 111.0° |
| C7 | N1 | C2 | 122.9° | 124.5° |
| O1 | C1 | N1 | 125.4° | 125.8° |
| C1 | N1 | C2 | 124.4° | 124.5° |
| N1 | C2 | C6 | 114.3° | 109.5° |
| N1 | C2 | C3 | 111.7° | 109.4° |
| N1 | C2 | H14 | 106.8° | 109.5° |
| C6 | C2 | C3 | 111.3° | 109.1° |
| C2 | C6 | C5 | 110.7° | 108.5° |
| C2 | C6 | H1 | 109.2° | 109.6° |
| C2 | C6 | H2 | 109.2° | 109.8° |
| C6 | C2 | H14 | 106.0° | 109.5° |
| C2 | C3 | N2 | 115.9° | 121.3° |
| C2 | C3 | O3 | 123.2° | 119.4° |
| C3 | C2 | H14 | 106.0° | 109.8° |
| C6 | C5 | C4 | 113.8° | 109.2° |
| C5 | C6 | H1 | 109.2° | 109.6° |
| C5 | C6 | H2 | 109.2° | 109.6° |
| C6 | C5 | H16 | 108.4° | 109.5° |
| C6 | C5 | H17 | 108.4° | 109.5° |
| C5 | C4 | N2 | 117.5° | 121.3° |
| C5 | C4 | O2 | 122.0° | 119.4° |
| C4 | C5 | H16 | 108.4° | 109.5° |
| C4 | C5 | H17 | 108.4° | 109.5° |
| N2 | C3 | O3 | 121.0° | 119.3° |
| C3 | N2 | C4 | 127.0° | 122.6° |
| C3 | N2 | H15 | 116.5° | 118.7° |
| N2 | C4 | O2 | 120.5° | 119.4° |
| C4 | N2 | H15 | 116.5° | 118.7° |
| H1 | C6 | H2 | 109.4° | 109.6° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H16 | C5 | H17 | 109.4° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.4° | 109.5° |
| H33 | C33 | H35 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H26 | 180.0° | 180.0° |
| C22 | C23 | C24 | H27 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.5° | 0.1° |
| C22 | C23 | C24 | C25 | 0.8° | 0.1° |
| C23 | C22 | C21 | H25 | 179.5° | 180.0° |
| C22 | C23 | C24 | H28 | 179.2° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C20 | H25 | 180.0° | 179.9° |
| C22 | C21 | C20 | C25 | 0.5° | 0.1° |
| C22 | C21 | C20 | C19 | 179.5° | 179.8° |
| C21 | C22 | C23 | H27 | 179.8° | 180.0° |
| C23 | C24 | C25 | H28 | 180.0° | 179.9° |
| C23 | C24 | C25 | C20 | 0.9° | 0.1° |
| C24 | C23 | C22 | H26 | 179.9° | 180.0° |
| C23 | C24 | C25 | H29 | 179.1° | 179.8° |
| CL1 | C28 | C29 | C27 | 179.3° | 180.0° |
| CL1 | C28 | C29 | C30 | 179.9° | 180.0° |
| CL1 | C28 | C27 | C26 | 179.2° | 179.9° |
| CL1 | C28 | C27 | H30 | 0.8° | 0.0° |
| CL1 | C28 | C29 | H31 | 0.1° | 0.0° |
| C21 | C20 | C25 | C24 | 0.2° | 0.0° |
| C21 | C20 | C25 | C19 | 179.9° | 179.7° |
| C21 | C20 | C19 | C26 | 66.1° | 78.0° |
| C21 | C20 | C19 | N5 | 58.2° | 40.3° |
| C20 | C21 | C22 | H26 | 179.5° | 179.9° |
| C21 | C20 | C25 | H29 | 179.8° | 179.7° |
| C21 | C20 | C19 | H39 | 175.2° | 161.2° |
| C24 | C25 | C20 | H29 | 180.0° | 179.7° |
| C24 | C25 | C20 | C19 | 179.9° | 179.7° |
| C25 | C24 | C23 | H27 | 179.2° | 179.9° |
| C28 | C29 | C30 | H31 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 1.0° | 0.0° |
| C29 | C28 | C27 | C26 | 1.5° | 0.0° |
| C29 | C28 | C27 | H30 | 178.5° | 180.0° |
| C28 | C29 | C30 | H32 | 179.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.7° | 0.1° |
| C29 | C30 | C31 | H32 | 180.0° | 180.0° |
| C29 | C30 | C31 | C26 | 2.1° | 0.1° |
| C29 | C30 | C31 | N6 | 179.5° | 179.8° |
| C28 | C27 | C26 | H30 | 180.0° | 179.9° |
| C28 | C27 | C26 | C31 | 2.5° | 0.1° |
| C28 | C27 | C26 | C19 | 179.7° | 179.9° |
| C27 | C28 | C29 | H31 | 179.2° | 180.0° |
| C30 | C31 | C26 | C27 | 2.8° | 0.2° |
| C30 | C31 | C26 | N6 | 177.3° | 179.9° |
| C30 | C31 | C26 | C19 | 180.0° | 179.9° |
| C30 | C31 | N6 | C32 | 166.0° | 164.9° |
| C31 | C30 | C29 | H31 | 178.9° | 180.0° |
| C27 | C26 | C19 | C20 | 68.4° | 86.6° |
| C27 | C26 | C31 | C19 | 177.2° | 180.0° |
| C27 | C26 | C31 | N6 | 179.9° | 179.7° |
| C27 | C26 | C19 | N5 | 168.6° | 153.9° |
| C27 | C26 | C19 | H39 | 50.2° | 34.3° |
| C25 | C20 | C19 | C26 | 113.9° | 101.7° |
| C25 | C20 | C19 | N5 | 121.8° | 140.0° |
| C25 | C20 | C21 | H25 | 179.5° | 180.0° |
| C20 | C25 | C24 | H28 | 179.2° | 180.0° |
| C25 | C20 | C19 | H39 | 4.7° | 19.2° |
| C20 | C19 | C26 | C31 | 108.8° | 93.5° |
| C20 | C19 | C26 | N5 | 123.0° | 119.6° |
| C20 | C19 | C26 | H39 | 118.6° | 120.9° |
| C20 | C19 | N5 | H39 | 116.6° | 120.9° |
| C20 | C19 | N5 | C32 | 111.9° | 78.0° |
| C20 | C19 | N5 | C18 | 61.4° | 101.7° |
| C19 | C20 | C21 | H25 | 0.5° | 0.3° |
| C19 | C20 | C25 | H29 | 0.2° | 0.0° |
| C26 | C31 | N6 | C32 | 11.3° | 15.0° |
| C31 | C26 | C19 | N5 | 14.2° | 26.1° |
| C31 | C26 | C27 | H30 | 177.5° | 179.9° |
| C26 | C31 | C30 | H32 | 177.9° | 179.9° |
| C31 | C26 | C19 | H39 | 132.6° | 145.7° |
| N6 | C31 | C26 | C19 | 2.7° | 0.2° |
| C31 | N6 | C32 | N5 | 12.9° | 0.4° |
| C31 | N6 | C32 | C33 | 168.4° | 179.9° |
| N6 | C31 | C30 | H32 | 0.5° | 0.2° |
| C26 | C19 | N5 | H39 | 118.2° | 119.6° |
| C26 | C19 | N5 | C32 | 13.3° | 41.5° |
| C26 | C19 | N5 | C18 | 173.4° | 138.7° |
| C19 | C26 | C27 | H30 | 0.3° | 0.0° |
| N6 | C32 | N5 | C19 | 0.1° | 31.2° |
| N6 | C32 | N5 | C33 | 178.6° | 179.5° |
| N6 | C32 | N5 | C18 | 173.1° | 149.0° |
| N6 | C32 | C33 | H33 | 0.0° | 0.0° |
| N6 | C32 | C33 | H34 | 120.0° | 120.0° |
| N6 | C32 | C33 | H35 | 120.0° | 120.0° |
| C19 | N5 | C32 | C18 | 173.0° | 179.7° |
| C19 | N5 | C32 | C33 | 178.5° | 149.3° |
| C19 | N5 | C18 | C17 | 99.8° | 90.0° |
| C19 | N5 | C18 | H23 | 139.4° | 150.0° |
| C19 | N5 | C18 | H24 | 21.0° | 30.0° |
| C32 | N5 | C18 | C17 | 86.8° | 90.3° |
| C32 | N5 | C18 | H23 | 34.0° | 29.7° |
| C32 | N5 | C18 | H24 | 152.5° | 149.7° |
| N5 | C32 | C33 | H33 | 178.7° | 179.5° |
| N5 | C32 | C33 | H34 | 58.7° | 60.5° |
| N5 | C32 | C33 | H35 | 61.3° | 59.5° |
| C32 | N5 | C19 | H39 | 131.4° | 161.1° |
| C33 | C32 | N5 | C18 | 5.5° | 30.5° |
| C32 | C33 | H33 | H34 | 120.0° | 120.0° |
| C32 | C33 | H33 | H35 | 120.0° | 120.0° |
| C32 | C33 | H34 | H35 | 120.0° | 120.0° |
| N5 | C18 | C17 | H23 | 120.7° | 120.0° |
| N5 | C18 | C17 | H24 | 120.8° | 120.0° |
| N5 | C18 | C17 | C16 | 162.3° | 180.0° |
| N5 | C18 | C17 | H21 | 77.3° | 60.0° |
| N5 | C18 | C17 | H22 | 41.9° | 60.0° |
| N5 | C18 | H23 | H24 | 117.6° | 120.0° |
| C18 | N5 | C19 | H39 | 55.3° | 19.2° |
| C18 | C17 | C16 | H21 | 120.4° | 120.0° |
| C18 | C17 | C16 | H22 | 120.3° | 120.0° |
| C18 | C17 | C16 | N4 | 157.0° | 180.0° |
| C18 | C17 | C16 | H11 | 36.5° | 60.0° |
| C18 | C17 | C16 | H12 | 82.5° | 60.0° |
| C18 | C17 | H21 | H22 | 118.9° | 120.0° |
| C17 | C18 | H23 | H24 | 117.7° | 120.0° |
| C17 | C16 | N4 | H11 | 120.5° | 120.0° |
| C17 | C16 | N4 | H12 | 120.6° | 120.0° |
| C17 | C16 | N4 | C15 | 105.2° | 180.0° |
| C17 | C16 | H11 | H12 | 118.3° | 120.0° |
| C17 | C16 | N4 | H20 | 74.8° | 0.0° |
| C16 | C17 | H21 | H22 | 118.9° | 120.0° |
| C16 | C17 | C18 | H23 | 41.5° | 60.0° |
| C16 | C17 | C18 | H24 | 77.0° | 60.0° |
| C16 | N4 | C15 | O6 | 41.0° | 0.0° |
| C16 | N4 | C15 | H20 | 180.0° | 180.0° |
| C16 | N4 | C15 | C14 | 139.7° | 180.0° |
| N4 | C16 | H11 | H12 | 118.3° | 120.0° |
| N4 | C16 | C17 | H21 | 82.6° | 60.0° |
| N4 | C16 | C17 | H22 | 36.7° | 60.0° |
| O6 | C15 | N4 | C14 | 179.3° | 180.0° |
| O6 | C15 | C14 | O5 | 24.7° | 0.0° |
| O6 | C15 | C14 | H9 | 145.1° | 120.0° |
| O6 | C15 | C14 | H10 | 95.8° | 120.0° |
| O6 | C15 | N4 | H20 | 139.0° | 180.0° |
| N4 | C15 | C14 | O5 | 156.1° | 180.0° |
| N4 | C15 | C14 | H9 | 35.6° | 60.0° |
| N4 | C15 | C14 | H10 | 83.5° | 60.0° |
| C15 | N4 | C16 | H11 | 15.3° | 60.0° |
| C15 | N4 | C16 | H12 | 134.2° | 60.0° |
| C15 | C14 | O5 | H9 | 120.5° | 120.0° |
| C15 | C14 | O5 | H10 | 120.4° | 120.0° |
| C15 | C14 | O5 | C13 | 171.5° | 180.0° |
| C15 | C14 | H9 | H10 | 118.6° | 120.0° |
| C14 | C15 | N4 | H20 | 40.3° | 0.0° |
| C14 | O5 | C13 | C12 | 112.2° | 180.0° |
| C14 | O5 | C13 | H7 | 7.8° | 60.0° |
| C14 | O5 | C13 | H8 | 127.8° | 60.0° |
| O5 | C14 | H9 | H10 | 118.6° | 120.0° |
| O5 | C13 | C12 | H7 | 120.0° | 120.0° |
| O5 | C13 | C12 | H8 | 120.0° | 120.0° |
| O5 | C13 | C12 | O4 | 159.9° | 65.0° |
| O5 | C13 | C12 | H5 | 80.2° | 55.0° |
| O5 | C13 | C12 | H6 | 39.9° | 175.0° |
| O5 | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | O5 | C14 | H9 | 68.1° | 60.0° |
| C13 | O5 | C14 | H10 | 51.0° | 60.0° |
| C13 | C12 | O4 | H5 | 119.9° | 120.0° |
| C13 | C12 | O4 | H6 | 119.9° | 120.0° |
| C13 | C12 | O4 | C11 | 178.9° | 180.0° |
| C13 | C12 | H5 | H6 | 120.2° | 120.0° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C12 | O4 | C11 | C10 | 111.3° | 180.0° |
| C12 | O4 | C11 | H3 | 8.9° | 60.0° |
| C12 | O4 | C11 | H4 | 128.6° | 60.0° |
| O4 | C12 | H5 | H6 | 120.3° | 120.0° |
| O4 | C12 | C13 | H7 | 39.9° | 175.0° |
| O4 | C12 | C13 | H8 | 80.1° | 55.0° |
| O4 | C11 | C10 | H3 | 120.2° | 120.0° |
| O4 | C11 | C10 | H4 | 120.2° | 120.0° |
| O4 | C11 | C10 | N3 | 152.8° | 65.0° |
| O4 | C11 | H3 | H4 | 119.5° | 120.0° |
| C11 | O4 | C12 | H5 | 59.0° | 60.0° |
| C11 | O4 | C12 | H6 | 61.2° | 60.0° |
| O4 | C11 | C10 | H18 | 32.4° | 175.0° |
| O4 | C11 | C10 | H19 | 86.8° | 55.1° |
| C11 | C10 | N3 | H18 | 120.4° | 120.1° |
| C11 | C10 | N3 | H19 | 120.4° | 120.0° |
| C11 | C10 | N3 | C9 | 11.5° | 180.0° |
| C10 | C11 | H3 | H4 | 119.5° | 120.0° |
| C11 | C10 | N3 | H13 | 133.6° | 0.0° |
| C11 | C10 | H18 | H19 | 118.8° | 119.9° |
| C35 | C34 | C9 | H36 | 180.0° | 179.9° |
| C34 | C35 | C36 | H37 | 180.0° | 179.9° |
| C35 | C34 | C9 | N3 | 178.7° | 180.0° |
| C35 | C34 | C9 | C8 | 1.2° | 0.1° |
| C34 | C35 | C36 | C37 | 1.4° | 0.1° |
| C34 | C35 | C36 | H38 | 178.6° | 180.0° |
| C34 | C9 | N3 | C10 | 99.7° | 0.0° |
| C9 | C34 | C35 | C36 | 1.9° | 0.1° |
| C34 | C9 | N3 | C8 | 180.0° | 180.0° |
| C34 | C9 | C8 | C37 | 0.2° | 0.0° |
| C34 | C9 | C8 | C7 | 179.9° | 179.5° |
| C34 | C9 | N3 | H13 | 138.3° | 179.9° |
| C9 | C34 | C35 | H37 | 178.2° | 180.0° |
| C10 | N3 | C9 | H13 | 122.0° | 180.0° |
| C10 | N3 | C9 | C8 | 80.4° | 180.0° |
| N3 | C10 | C11 | H3 | 87.1° | 55.0° |
| N3 | C10 | C11 | H4 | 32.6° | 175.0° |
| N3 | C10 | H18 | H19 | 118.8° | 120.0° |
| C35 | C36 | C37 | H38 | 180.0° | 180.0° |
| C35 | C36 | C37 | C8 | 0.3° | 0.1° |
| C35 | C36 | C37 | C1 | 179.3° | 180.0° |
| C36 | C35 | C34 | H36 | 178.1° | 180.0° |
| N3 | C9 | C8 | C37 | 179.8° | 180.0° |
| N3 | C9 | C8 | C7 | 0.1° | 0.6° |
| C9 | N3 | C10 | H18 | 108.9° | 59.9° |
| C9 | N3 | C10 | H19 | 131.9° | 60.0° |
| N3 | C9 | C34 | H36 | 1.3° | 0.1° |
| C9 | C8 | C37 | C36 | 0.3° | 0.0° |
| C9 | C8 | C37 | C7 | 179.8° | 179.6° |
| C9 | C8 | C37 | C1 | 180.0° | 180.0° |
| C9 | C8 | C7 | O7 | 12.6° | 0.3° |
| C9 | C8 | C7 | N1 | 168.0° | 179.9° |
| C8 | C9 | N3 | H13 | 41.7° | 0.0° |
| C8 | C9 | C34 | H36 | 178.8° | 180.0° |
| C36 | C37 | C8 | C1 | 179.7° | 180.0° |
| C36 | C37 | C8 | C7 | 179.5° | 179.6° |
| C36 | C37 | C1 | O1 | 9.6° | 0.3° |
| C36 | C37 | C1 | N1 | 167.6° | 179.7° |
| C37 | C36 | C35 | H37 | 178.6° | 180.0° |
| C37 | C8 | C7 | O7 | 167.7° | 179.8° |
| C37 | C8 | C7 | N1 | 11.7° | 0.4° |
| C8 | C37 | C1 | O1 | 170.8° | 179.7° |
| C8 | C37 | C1 | N1 | 12.0° | 0.3° |
| C8 | C37 | C36 | H38 | 179.7° | 180.0° |
| C7 | C8 | C37 | C1 | 0.2° | 0.4° |
| C8 | C7 | O7 | N1 | 179.3° | 179.8° |
| C8 | C7 | N1 | C1 | 19.9° | 0.2° |
| C8 | C7 | N1 | C2 | 141.3° | 179.7° |
| C37 | C1 | N1 | C7 | 20.0° | 0.0° |
| C37 | C1 | O1 | N1 | 176.7° | 180.0° |
| C37 | C1 | N1 | C2 | 140.9° | 180.0° |
| C1 | C37 | C36 | H38 | 0.7° | 0.0° |
| O7 | C7 | N1 | C1 | 159.6° | 179.9° |
| O7 | C7 | N1 | C2 | 39.2° | 0.1° |
| C7 | N1 | C1 | O1 | 162.7° | 179.9° |
| C7 | N1 | C1 | C2 | 160.8° | 179.9° |
| C7 | N1 | C2 | C6 | 76.1° | 120.0° |
| C7 | N1 | C2 | C3 | 156.3° | 120.5° |
| C7 | N1 | C2 | H14 | 40.8° | 0.1° |
| O1 | C1 | N1 | C2 | 36.5° | 0.0° |
| C1 | N1 | C2 | C6 | 125.4° | 60.0° |
| C1 | N1 | C2 | C3 | 2.1° | 59.4° |
| C1 | N1 | C2 | H14 | 117.6° | 179.8° |
| N1 | C2 | C6 | C3 | 127.8° | 119.7° |
| N1 | C2 | C6 | H14 | 117.4° | 120.1° |
| N1 | C2 | C3 | H14 | 116.0° | 120.2° |
| N1 | C2 | C6 | C5 | 74.1° | 175.5° |
| N1 | C2 | C3 | N2 | 93.9° | 149.4° |
| N1 | C2 | C3 | O3 | 86.6° | 31.1° |
| N1 | C2 | C6 | H1 | 46.1° | 55.8° |
| N1 | C2 | C6 | H2 | 165.7° | 64.6° |
| C6 | C2 | C3 | H14 | 114.9° | 120.0° |
| C2 | C6 | C5 | H1 | 120.2° | 119.7° |
| C2 | C6 | C5 | H2 | 120.2° | 119.9° |
| C2 | C6 | C5 | C4 | 49.4° | 55.6° |
| C6 | C2 | C3 | N2 | 35.3° | 29.6° |
| C6 | C2 | C3 | O3 | 144.2° | 150.8° |
| C2 | C6 | H1 | H2 | 119.4° | 120.6° |
| C2 | C6 | C5 | H16 | 71.2° | 64.3° |
| C2 | C6 | C5 | H17 | 170.1° | 175.5° |
| C3 | C2 | C6 | C5 | 53.7° | 55.8° |
| C2 | C3 | N2 | O3 | 179.6° | 179.6° |
| C2 | C3 | N2 | C4 | 11.9° | 1.1° |
| C3 | C2 | C6 | H1 | 173.9° | 63.9° |
| C3 | C2 | C6 | H2 | 66.5° | 175.7° |
| C2 | C3 | N2 | H15 | 168.1° | 178.9° |
| C6 | C5 | C4 | H16 | 120.7° | 119.9° |
| C6 | C5 | C4 | H17 | 120.7° | 119.9° |
| C6 | C5 | C4 | N2 | 25.8° | 29.1° |
| C6 | C5 | C4 | O2 | 156.3° | 151.2° |
| C5 | C6 | H1 | H2 | 119.4° | 120.4° |
| C5 | C6 | C2 | H14 | 168.6° | 64.4° |
| C6 | C5 | H16 | H17 | 118.0° | 120.2° |
| C5 | C4 | N2 | C3 | 6.7° | 0.9° |
| C5 | C4 | N2 | O2 | 178.0° | 179.7° |
| C4 | C5 | C6 | H1 | 169.7° | 64.1° |
| C4 | C5 | C6 | H2 | 70.7° | 175.5° |
| C5 | C4 | N2 | H15 | 173.3° | 179.2° |
| C4 | C5 | H16 | H17 | 118.0° | 120.1° |
| C3 | N2 | C4 | H15 | 180.0° | 179.9° |
| C3 | N2 | C4 | O2 | 175.3° | 179.4° |
| N2 | C3 | C2 | H14 | 150.2° | 90.4° |
| O3 | C3 | N2 | C4 | 167.7° | 179.3° |
| O3 | C3 | C2 | H14 | 29.4° | 89.1° |
| O3 | C3 | N2 | H15 | 12.3° | 0.6° |
| N2 | C4 | C5 | H16 | 94.9° | 90.8° |
| N2 | C4 | C5 | H17 | 146.5° | 149.0° |
| O2 | C4 | N2 | H15 | 4.7° | 0.5° |
| O2 | C4 | C5 | H16 | 83.1° | 88.9° |
| O2 | C4 | C5 | H17 | 35.6° | 31.3° |
| H1 | C6 | C2 | H14 | 71.3° | 175.9° |
| H1 | C6 | C5 | H16 | 49.0° | 176.0° |
| H1 | C6 | C5 | H17 | 69.7° | 55.8° |
| H2 | C6 | C2 | H14 | 48.4° | 55.5° |
| H2 | C6 | C5 | H16 | 168.6° | 55.6° |
| H2 | C6 | C5 | H17 | 49.9° | 64.6° |
| H3 | C11 | C10 | H18 | 152.5° | 65.1° |
| H3 | C11 | C10 | H19 | 33.3° | 175.0° |
| H4 | C11 | C10 | H18 | 87.8° | 54.9° |
| H4 | C11 | C10 | H19 | 153.0° | 65.0° |
| H5 | C12 | C13 | H7 | 159.8° | 65.0° |
| H5 | C12 | C13 | H8 | 39.8° | 175.0° |
| H6 | C12 | C13 | H7 | 80.1° | 55.0° |
| H6 | C12 | C13 | H8 | 160.0° | 65.0° |
| H11 | C16 | N4 | H20 | 164.7° | 120.0° |
| H11 | C16 | C17 | H21 | 156.8° | NaN° |
| H11 | C16 | C17 | H22 | 83.9° | 60.0° |
| H12 | C16 | N4 | H20 | 45.8° | 120.1° |
| H12 | C16 | C17 | H21 | 37.9° | 60.0° |
| H12 | C16 | C17 | H22 | 157.2° | 180.0° |
| H13 | N3 | C10 | H18 | 13.2° | 120.0° |
| H13 | N3 | C10 | H19 | 106.0° | 120.0° |
| H21 | C17 | C18 | H23 | 161.9° | 60.0° |
| H21 | C17 | C18 | H24 | 43.4° | 180.0° |
| H22 | C17 | C18 | H23 | 78.8° | 180.0° |
| H22 | C17 | C18 | H24 | 162.7° | 60.0° |
| H25 | C21 | C22 | H26 | 0.5° | 0.1° |
| H26 | C22 | C23 | H27 | 0.2° | 0.0° |
| H27 | C23 | C24 | H28 | 0.8° | 0.0° |
| H28 | C24 | C25 | H29 | 0.8° | 0.3° |
| H31 | C29 | C30 | H32 | 1.1° | 0.0° |
| H33 | C33 | H34 | H35 | 120.0° | 120.0° |
| H36 | C34 | C35 | H37 | 1.8° | 0.1° |
| H37 | C35 | C36 | H38 | 1.3° | 0.1° |
