A1A26
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N8 | sing | 1.33Å | 1.39Å | Aromatic |
| C32 | N9 | doub | 1.31Å | 1.39Å | Aromatic |
| N8 | C31 | doub | 1.31Å | 1.29Å | Aromatic |
| N9 | N7 | sing | 1.40Å | 1.43Å | Aromatic |
| O2 | C8 | sing | 1.36Å | 1.46Å | |
| O2 | C15 | sing | 1.43Å | 1.35Å | |
| C31 | N7 | sing | 1.34Å | 1.38Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.53Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.34Å | Aromatic |
| N7 | C29 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | doub | 1.39Å | 1.50Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.35Å | Aromatic |
| O1 | C11 | doub | 1.22Å | 1.34Å | |
| C37 | C30 | sing | 1.38Å | 1.33Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.45Å | |
| C10 | C5 | doub | 1.39Å | 1.53Å | Aromatic |
| C14 | N4 | sing | 1.47Å | 1.41Å | |
| F2 | C35 | sing | 1.35Å | 1.34Å | |
| C35 | C34 | doub | 1.38Å | 1.49Å | Aromatic |
| O3 | C28 | sing | 1.43Å | 1.43Å | |
| C7 | N4 | sing | 1.40Å | 1.42Å | |
| C7 | C6 | doub | 1.38Å | 1.50Å | Aromatic |
| N2 | C12 | sing | 1.39Å | 1.38Å | |
| N4 | C16 | sing | 1.40Å | 1.40Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C30 | C28 | sing | 1.51Å | 1.53Å | |
| C30 | C33 | doub | 1.38Å | 1.54Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.44Å | |
| C11 | N1 | sing | 1.35Å | 1.32Å | |
| C5 | C6 | sing | 1.39Å | 1.31Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.42Å | |
| C17 | C16 | doub | 1.39Å | 1.29Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.52Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C12 | N3 | doub | 1.31Å | 1.29Å | |
| C16 | C21 | sing | 1.39Å | 1.50Å | Aromatic |
| N1 | C4 | sing | 1.40Å | 1.38Å | |
| C34 | C33 | sing | 1.38Å | 1.31Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.28Å | Aromatic |
| C33 | F1 | sing | 1.35Å | 1.37Å | |
| N3 | C3 | sing | 1.34Å | 1.34Å | |
| C27 | N6 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | doub | 1.38Å | 1.30Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.51Å | Aromatic |
| N6 | C24 | sing | 1.47Å | 1.44Å | |
| N6 | C25 | sing | 1.47Å | 1.46Å | |
| C3 | S1 | sing | 1.76Å | 1.76Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | doub | 1.33Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| S1 | C2 | sing | 1.76Å | 1.77Å | Aromatic |
| C2 | C13 | sing | 1.51Å | 1.50Å | |
| C26 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | C13 | sing | 1.47Å | 1.43Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N5 | H39 | sing | 1.01Å | 1.00Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C32 | N9 | 108.1° | 109.0° |
| C32 | N8 | C31 | 110.6° | 109.8° |
| N8 | C32 | H33 | 126.0° | 125.5° |
| C32 | N9 | N7 | 104.2° | 106.8° |
| N9 | C32 | H33 | 125.9° | 125.6° |
| N8 | C31 | N7 | 108.7° | 108.1° |
| N8 | C31 | H32 | 125.6° | 126.0° |
| N9 | N7 | C31 | 108.3° | 106.4° |
| N9 | N7 | C29 | 125.5° | 126.9° |
| C8 | O2 | C15 | 107.3° | 117.7° |
| O2 | C8 | C9 | 114.4° | 119.6° |
| O2 | C8 | C7 | 123.8° | 120.8° |
| O2 | C15 | C14 | 122.8° | 108.8° |
| O2 | C15 | H12 | 106.1° | 109.6° |
| O2 | C15 | H11 | 106.1° | 109.7° |
| C31 | N7 | C29 | 126.1° | 126.8° |
| N7 | C31 | H32 | 125.6° | 126.0° |
| C37 | C36 | C35 | 119.9° | 120.0° |
| C36 | C37 | C30 | 117.2° | 120.0° |
| C37 | C36 | H35 | 120.0° | 120.0° |
| C36 | C37 | H36 | 121.4° | 120.0° |
| C36 | C35 | F2 | 122.9° | 120.0° |
| C36 | C35 | C34 | 122.9° | 120.0° |
| C35 | C36 | H35 | 120.1° | 120.0° |
| N7 | C29 | C28 | 115.8° | 109.5° |
| N7 | C29 | H30 | 107.9° | 109.5° |
| N7 | C29 | H29 | 107.9° | 109.4° |
| C8 | C9 | C10 | 118.6° | 120.1° |
| C9 | C8 | C7 | 121.8° | 119.7° |
| C8 | C9 | H3 | 120.7° | 119.9° |
| C9 | C10 | C5 | 117.9° | 120.2° |
| C10 | C9 | H3 | 120.7° | 119.9° |
| C9 | C10 | H4 | 121.0° | 119.9° |
| O1 | C11 | C12 | 121.7° | 120.6° |
| O1 | C11 | N1 | 119.4° | 120.6° |
| C37 | C30 | C28 | 120.4° | 120.0° |
| C37 | C30 | C33 | 121.3° | 120.0° |
| C30 | C37 | H36 | 121.4° | 120.0° |
| C8 | C7 | N4 | 118.1° | 119.7° |
| C8 | C7 | C6 | 120.2° | 120.2° |
| C15 | C14 | N4 | 108.3° | 107.6° |
| C14 | C15 | H12 | 106.0° | 109.6° |
| C14 | C15 | H11 | 106.0° | 109.6° |
| C15 | C14 | H10 | 109.7° | 109.8° |
| C15 | C14 | H9 | 109.8° | 109.8° |
| C10 | C5 | C6 | 123.9° | 119.9° |
| C10 | C5 | N1 | 114.6° | 120.0° |
| C5 | C10 | H4 | 121.0° | 119.9° |
| C14 | N4 | C7 | 121.2° | 117.7° |
| C14 | N4 | C16 | 115.1° | 121.2° |
| N4 | C14 | H10 | 109.7° | 109.8° |
| N4 | C14 | H9 | 109.7° | 109.8° |
| F2 | C35 | C34 | 114.3° | 120.0° |
| C35 | C34 | C33 | 117.3° | 119.9° |
| C35 | C34 | H34 | 121.3° | 120.0° |
| O3 | C28 | C29 | 117.7° | 109.5° |
| O3 | C28 | C30 | 107.1° | 109.5° |
| O3 | C28 | C27 | 108.1° | 109.5° |
| C28 | O3 | H31 | 109.5° | 114.1° |
| N4 | C7 | C6 | 121.6° | 120.0° |
| C7 | N4 | C16 | 123.6° | 121.1° |
| C7 | C6 | C5 | 117.5° | 119.8° |
| C7 | C6 | H2 | 121.2° | 120.1° |
| N2 | C12 | C11 | 118.0° | 120.2° |
| N2 | C12 | N3 | 115.9° | 120.3° |
| C12 | N2 | H5 | 120.0° | 120.0° |
| C12 | N2 | H6 | 120.0° | 120.0° |
| N4 | C16 | C17 | 119.3° | 120.1° |
| N4 | C16 | C21 | 119.1° | 120.1° |
| C29 | C28 | C30 | 105.7° | 109.5° |
| C29 | C28 | C27 | 102.8° | 109.5° |
| C28 | C29 | H30 | 107.9° | 109.5° |
| C28 | C29 | H29 | 107.8° | 109.5° |
| C28 | C30 | C33 | 118.3° | 120.0° |
| C30 | C28 | C27 | 115.8° | 109.5° |
| C30 | C33 | C34 | 121.5° | 120.0° |
| C30 | C33 | F1 | 121.1° | 120.0° |
| C12 | C11 | N1 | 118.9° | 118.8° |
| C11 | C12 | N3 | 126.1° | 119.5° |
| C11 | N1 | C5 | 121.1° | 120.1° |
| C11 | N1 | C4 | 120.1° | 119.8° |
| C6 | C5 | N1 | 121.4° | 120.1° |
| C5 | C6 | H2 | 121.3° | 120.1° |
| C5 | N1 | C4 | 118.9° | 120.1° |
| C16 | C17 | C18 | 119.7° | 119.9° |
| C17 | C16 | C21 | 121.2° | 119.9° |
| C16 | C17 | H13 | 120.2° | 120.1° |
| C17 | C18 | C19 | 119.7° | 120.1° |
| C17 | C18 | H14 | 120.2° | 120.0° |
| C18 | C17 | H13 | 120.1° | 120.0° |
| C28 | C27 | N6 | 114.1° | 109.5° |
| C28 | C27 | H28 | 108.3° | 109.5° |
| C28 | C27 | H27 | 108.3° | 109.5° |
| C12 | N3 | C3 | 111.7° | 121.7° |
| C16 | C21 | C20 | 118.3° | 120.0° |
| C16 | C21 | H17 | 120.8° | 120.0° |
| N1 | C4 | C3 | 114.6° | 119.2° |
| N1 | C4 | C1 | 130.2° | 127.9° |
| C34 | C33 | F1 | 117.4° | 120.0° |
| C33 | C34 | H34 | 121.3° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.1° |
| C19 | C18 | H14 | 120.2° | 120.0° |
| C18 | C19 | H15 | 119.9° | 119.9° |
| N3 | C3 | C4 | 128.5° | 121.1° |
| N3 | C3 | S1 | 124.4° | 129.5° |
| C27 | N6 | C24 | 108.5° | 111.0° |
| C27 | N6 | C25 | 111.4° | 111.0° |
| N6 | C27 | H28 | 108.3° | 109.5° |
| N6 | C27 | H27 | 108.3° | 109.4° |
| C21 | C20 | C19 | 120.8° | 120.1° |
| C21 | C20 | H16 | 119.6° | 120.0° |
| C20 | C21 | H17 | 120.9° | 120.0° |
| C3 | C4 | C1 | 115.1° | 112.9° |
| C4 | C3 | S1 | 107.1° | 109.4° |
| C4 | C1 | C2 | 115.1° | 115.9° |
| C4 | C1 | H1 | 122.5° | 122.1° |
| C20 | C19 | H15 | 119.9° | 119.9° |
| C19 | C20 | H16 | 119.6° | 119.9° |
| C24 | N6 | C25 | 108.9° | 111.2° |
| N6 | C24 | C23 | 106.6° | 109.5° |
| N6 | C24 | H22 | 110.2° | 109.4° |
| N6 | C24 | H21 | 110.2° | 109.4° |
| N6 | C25 | C26 | 114.2° | 109.5° |
| N6 | C25 | H23 | 108.3° | 109.4° |
| N6 | C25 | H24 | 108.3° | 109.5° |
| C3 | S1 | C2 | 93.8° | 91.4° |
| C24 | C23 | C22 | 106.5° | 109.3° |
| C24 | C23 | H20 | 110.2° | 109.5° |
| C24 | C23 | H19 | 110.2° | 109.5° |
| C23 | C24 | H22 | 110.2° | 109.4° |
| C23 | C24 | H21 | 110.2° | 109.5° |
| C1 | C2 | S1 | 108.9° | 110.4° |
| C1 | C2 | C13 | 129.3° | 124.8° |
| C2 | C1 | H1 | 122.4° | 122.0° |
| C23 | C22 | C26 | 108.1° | 109.2° |
| C23 | C22 | N5 | 112.1° | 109.6° |
| C23 | C22 | H18 | 109.2° | 109.5° |
| C22 | C23 | H20 | 110.2° | 109.5° |
| C22 | C23 | H19 | 110.2° | 109.5° |
| C25 | C26 | C22 | 113.8° | 109.3° |
| C26 | C25 | H23 | 108.3° | 109.5° |
| C26 | C25 | H24 | 108.3° | 109.4° |
| C25 | C26 | H26 | 108.4° | 109.5° |
| C25 | C26 | H25 | 108.4° | 109.5° |
| S1 | C2 | C13 | 121.8° | 124.8° |
| C2 | C13 | N5 | 104.0° | 109.4° |
| C2 | C13 | H7 | 110.8° | 109.5° |
| C2 | C13 | H8 | 110.8° | 109.5° |
| C26 | C22 | N5 | 108.6° | 109.5° |
| C26 | C22 | H18 | 108.9° | 109.5° |
| C22 | C26 | H26 | 108.4° | 109.6° |
| C22 | C26 | H25 | 108.4° | 109.4° |
| C22 | N5 | C13 | 113.1° | 111.0° |
| N5 | C22 | H18 | 109.9° | 109.5° |
| C22 | N5 | H39 | 108.6° | 111.0° |
| N5 | C13 | H7 | 110.8° | 109.5° |
| N5 | C13 | H8 | 110.8° | 109.4° |
| C13 | N5 | H39 | 108.6° | 111.0° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H12 | C15 | H11 | 109.4° | 109.6° |
| H10 | C14 | H9 | 109.5° | 109.9° |
| H20 | C23 | H19 | 109.5° | 109.5° |
| H22 | C24 | H21 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H26 | C26 | H25 | 109.5° | 109.6° |
| H28 | C27 | H27 | 109.5° | 109.5° |
| H30 | C29 | H29 | 109.5° | 109.5° |
| H5 | N2 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C32 | N9 | H33 | 180.0° | 179.8° |
| N8 | C32 | N9 | N7 | 0.8° | 0.3° |
| C32 | N8 | C31 | N7 | 1.7° | 0.0° |
| C32 | N8 | C31 | H32 | 178.3° | 179.8° |
| N9 | C32 | N8 | C31 | 1.6° | 0.2° |
| C32 | N9 | N7 | C31 | 0.2° | 0.3° |
| C32 | N9 | N7 | C29 | 177.4° | 179.7° |
| N8 | C31 | N7 | N9 | 1.2° | 0.2° |
| N8 | C31 | N7 | H32 | 180.0° | 179.8° |
| N8 | C31 | N7 | C29 | 178.4° | 179.8° |
| C31 | N8 | C32 | H33 | 178.4° | 180.0° |
| N9 | N7 | C31 | C29 | 177.2° | 180.0° |
| N9 | N7 | C29 | C28 | 68.2° | 55.0° |
| N9 | N7 | C29 | H30 | 52.7° | 175.0° |
| N9 | N7 | C29 | H29 | 170.9° | 65.0° |
| N9 | N7 | C31 | H32 | 178.8° | 180.0° |
| N7 | N9 | C32 | H33 | 179.2° | 179.9° |
| O2 | C8 | C9 | C7 | 179.4° | 179.7° |
| O2 | C8 | C9 | C10 | 179.1° | 179.6° |
| C8 | O2 | C15 | C14 | 48.6° | 49.5° |
| O2 | C8 | C7 | N4 | 1.9° | 0.5° |
| O2 | C8 | C7 | C6 | 179.6° | 179.6° |
| C8 | O2 | C15 | H12 | 73.2° | 70.3° |
| C8 | O2 | C15 | H11 | 170.4° | 169.4° |
| O2 | C8 | C9 | H3 | 0.9° | 0.4° |
| C15 | O2 | C8 | C9 | 160.5° | 159.9° |
| C15 | O2 | C8 | C7 | 20.2° | 20.4° |
| O2 | C15 | C14 | H12 | 121.9° | 119.8° |
| O2 | C15 | C14 | H11 | 121.8° | 119.9° |
| O2 | C15 | C14 | N4 | 50.3° | 58.2° |
| O2 | C15 | H12 | H11 | 114.0° | 120.4° |
| O2 | C15 | C14 | H10 | 170.1° | 61.3° |
| O2 | C15 | C14 | H9 | 69.5° | 177.8° |
| C31 | N7 | C29 | C28 | 115.0° | 125.0° |
| C31 | N7 | C29 | H30 | 124.0° | 5.0° |
| C31 | N7 | C29 | H29 | 5.9° | 115.0° |
| C37 | C36 | C35 | H35 | 180.0° | 179.4° |
| C36 | C37 | C30 | H36 | 180.0° | 179.4° |
| C37 | C36 | C35 | F2 | 179.5° | 179.7° |
| C37 | C36 | C35 | C34 | 1.1° | 0.3° |
| C36 | C37 | C30 | C28 | 178.4° | 179.7° |
| C36 | C37 | C30 | C33 | 2.4° | 0.6° |
| C35 | C36 | C37 | C30 | 0.7° | 0.6° |
| C36 | C35 | F2 | C34 | 178.5° | 179.9° |
| C36 | C35 | C34 | C33 | 1.0° | 0.0° |
| C36 | C35 | C34 | H34 | 179.0° | 179.9° |
| C35 | C36 | C37 | H36 | 179.3° | 180.0° |
| N7 | C29 | C28 | O3 | 69.4° | 59.1° |
| N7 | C29 | C28 | H30 | 120.9° | 120.0° |
| N7 | C29 | C28 | H29 | 120.9° | 120.0° |
| N7 | C29 | C28 | C30 | 50.2° | 60.9° |
| N7 | C29 | C28 | C27 | 172.0° | 179.2° |
| N7 | C29 | H30 | H29 | 117.1° | 120.0° |
| C29 | N7 | C31 | H32 | 1.6° | 0.0° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 1.9° | 0.0° |
| C9 | C8 | C7 | N4 | 177.4° | 179.8° |
| C9 | C8 | C7 | C6 | 0.3° | 0.1° |
| C8 | C9 | C10 | H4 | 178.1° | 180.0° |
| C10 | C9 | C8 | C7 | 1.6° | 0.1° |
| C9 | C10 | C5 | H4 | 180.0° | 180.0° |
| C9 | C10 | C5 | C6 | 1.2° | 0.0° |
| C9 | C10 | C5 | N1 | 177.2° | 180.0° |
| O1 | C11 | C12 | N2 | 0.0° | 0.2° |
| O1 | C11 | C12 | N1 | 177.0° | 179.7° |
| O1 | C11 | N1 | C5 | 1.0° | 0.2° |
| O1 | C11 | C12 | N3 | 179.8° | 179.7° |
| O1 | C11 | N1 | C4 | 179.3° | 179.7° |
| C37 | C30 | C28 | O3 | 22.3° | 0.3° |
| C37 | C30 | C28 | C29 | 104.0° | 119.7° |
| C37 | C30 | C28 | C33 | 176.1° | 179.7° |
| C37 | C30 | C28 | C27 | 142.9° | 120.3° |
| C37 | C30 | C33 | C34 | 2.5° | 0.3° |
| C37 | C30 | C33 | F1 | 178.6° | 179.8° |
| C30 | C37 | C36 | H35 | 179.3° | 180.0° |
| C8 | C7 | N4 | C14 | 0.6° | 13.8° |
| C8 | C7 | N4 | C6 | 177.6° | 179.9° |
| C8 | C7 | N4 | C16 | 176.5° | 166.2° |
| C8 | C7 | C6 | C5 | 0.5° | 0.1° |
| C8 | C7 | C6 | H2 | 179.4° | 180.0° |
| C7 | C8 | C9 | H3 | 178.4° | 179.9° |
| C15 | C14 | N4 | H10 | 119.8° | 119.6° |
| C15 | C14 | N4 | H9 | 119.8° | 119.5° |
| C15 | C14 | N4 | C7 | 21.2° | 42.0° |
| C15 | C14 | N4 | C16 | 161.5° | 138.0° |
| C14 | C15 | H12 | H11 | 114.0° | 120.3° |
| C15 | C14 | H10 | H9 | 120.5° | 120.9° |
| C10 | C5 | C6 | C7 | 0.1° | 0.0° |
| C10 | C5 | N1 | C11 | 93.2° | 64.0° |
| C10 | C5 | C6 | N1 | 178.3° | 180.0° |
| C10 | C5 | N1 | C4 | 87.2° | 116.0° |
| C10 | C5 | C6 | H2 | 179.9° | 179.9° |
| C5 | C10 | C9 | H3 | 178.1° | 180.0° |
| C14 | N4 | C7 | C16 | 177.0° | 180.0° |
| C14 | N4 | C7 | C6 | 178.2° | 166.3° |
| C14 | N4 | C16 | C17 | 112.7° | 112.4° |
| C14 | N4 | C16 | C21 | 60.9° | 67.6° |
| N4 | C14 | C15 | H12 | 71.6° | 61.6° |
| N4 | C14 | C15 | H11 | 172.1° | 178.1° |
| N4 | C14 | H10 | H9 | 120.5° | 120.9° |
| F2 | C35 | C34 | C33 | 179.6° | 180.0° |
| F2 | C35 | C34 | H34 | 0.5° | 0.0° |
| F2 | C35 | C36 | H35 | 0.5° | 0.3° |
| C35 | C34 | C33 | C30 | 0.7° | 0.0° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | F1 | 179.6° | 180.0° |
| C34 | C35 | C36 | H35 | 178.9° | 179.7° |
| O3 | C28 | C29 | C30 | 119.5° | 120.0° |
| O3 | C28 | C29 | C27 | 118.7° | 120.0° |
| O3 | C28 | C30 | C27 | 120.6° | 120.0° |
| O3 | C28 | C30 | C33 | 161.6° | 180.0° |
| O3 | C28 | C27 | N6 | 41.9° | 67.3° |
| O3 | C28 | C27 | H28 | 78.7° | 172.7° |
| O3 | C28 | C27 | H27 | 162.6° | 52.7° |
| O3 | C28 | C29 | H30 | 51.6° | 179.2° |
| O3 | C28 | C29 | H29 | 169.7° | 60.8° |
| N4 | C7 | C6 | C5 | 178.1° | 179.8° |
| C7 | N4 | C16 | C17 | 64.5° | 67.6° |
| C7 | N4 | C16 | C21 | 121.9° | 112.4° |
| N4 | C7 | C6 | H2 | 1.9° | 0.0° |
| C7 | N4 | C14 | H10 | 141.0° | 77.6° |
| C7 | N4 | C14 | H9 | 98.6° | 161.5° |
| C6 | C7 | N4 | C16 | 1.2° | 13.8° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | N1 | 178.4° | 180.0° |
| N2 | C12 | C11 | N3 | 179.8° | 179.9° |
| N2 | C12 | C11 | N1 | 177.0° | 180.0° |
| N2 | C12 | N3 | C3 | 177.6° | 179.9° |
| C12 | N2 | H5 | H6 | 180.0° | 179.9° |
| N4 | C16 | C17 | C21 | 173.4° | 180.0° |
| N4 | C16 | C17 | C18 | 177.9° | 180.0° |
| N4 | C16 | C21 | C20 | 177.9° | 179.7° |
| N4 | C16 | C17 | H13 | 2.1° | 0.0° |
| C16 | N4 | C14 | H10 | 41.7° | 102.5° |
| C16 | N4 | C14 | H9 | 78.7° | 18.4° |
| N4 | C16 | C21 | H17 | 2.1° | 0.0° |
| C29 | C28 | C30 | C27 | 113.1° | 120.0° |
| C29 | C28 | C30 | C33 | 72.1° | 60.0° |
| C29 | C28 | C27 | N6 | 167.1° | 52.7° |
| C29 | C28 | C27 | H28 | 46.5° | 67.3° |
| C29 | C28 | C27 | H27 | 72.2° | 172.7° |
| C28 | C29 | H30 | H29 | 117.1° | 120.0° |
| C29 | C28 | O3 | H31 | 180.0° | 180.0° |
| C28 | C30 | C33 | C34 | 178.6° | 180.0° |
| C28 | C30 | C33 | F1 | 2.5° | 0.1° |
| C30 | C28 | C27 | N6 | 78.2° | 172.7° |
| C30 | C28 | C27 | H28 | 161.2° | 52.7° |
| C30 | C28 | C27 | H27 | 42.5° | 67.3° |
| C30 | C28 | C29 | H30 | 171.1° | 59.2° |
| C30 | C28 | C29 | H29 | 70.8° | 179.2° |
| C28 | C30 | C37 | H36 | 1.6° | 0.3° |
| C30 | C28 | O3 | H31 | 61.2° | 60.0° |
| C33 | C30 | C28 | C27 | 41.0° | 60.0° |
| C30 | C33 | C34 | F1 | 178.9° | 179.9° |
| C30 | C33 | C34 | H34 | 179.3° | 179.9° |
| C33 | C30 | C37 | H36 | 177.6° | 180.0° |
| C12 | C11 | N1 | C5 | 178.1° | 180.0° |
| C12 | C11 | N1 | C4 | 2.3° | 0.0° |
| C11 | C12 | N3 | C3 | 2.5° | 0.0° |
| C11 | C12 | N2 | H5 | 179.8° | 0.1° |
| C11 | C12 | N2 | H6 | 0.1° | 180.0° |
| C11 | N1 | C5 | C6 | 85.3° | 116.0° |
| C11 | N1 | C5 | C4 | 179.7° | 179.9° |
| N1 | C11 | C12 | N3 | 3.2° | 0.0° |
| C11 | N1 | C4 | C3 | 1.2° | 0.0° |
| C11 | N1 | C4 | C1 | 179.7° | 180.0° |
| C6 | C5 | N1 | C4 | 94.4° | 64.1° |
| C6 | C5 | C10 | H4 | 178.8° | 179.9° |
| C5 | N1 | C4 | C3 | 179.1° | 180.0° |
| C5 | N1 | C4 | C1 | 0.6° | 0.1° |
| N1 | C5 | C6 | H2 | 1.6° | 0.1° |
| N1 | C5 | C10 | H4 | 2.8° | 0.0° |
| C16 | C17 | C18 | H13 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 2.9° | 0.0° |
| C17 | C16 | C21 | C20 | 4.4° | 0.2° |
| C16 | C17 | C18 | H14 | 177.1° | 179.7° |
| C17 | C16 | C21 | H17 | 175.6° | 180.0° |
| C18 | C17 | C16 | C21 | 4.5° | 0.0° |
| C17 | C18 | C19 | H14 | 180.0° | 179.6° |
| C17 | C18 | C19 | C20 | 1.0° | 0.3° |
| C17 | C18 | C19 | H15 | 179.0° | 179.7° |
| C28 | C27 | N6 | H28 | 120.7° | 120.0° |
| C28 | C27 | N6 | H27 | 120.7° | 120.0° |
| C28 | C27 | N6 | C24 | 84.0° | 77.3° |
| C28 | C27 | N6 | C25 | 156.2° | 158.5° |
| C28 | C27 | H28 | H27 | 117.9° | 120.0° |
| C27 | C28 | C29 | H30 | 67.1° | 60.8° |
| C27 | C28 | C29 | H29 | 51.1° | 59.2° |
| C27 | C28 | O3 | H31 | 64.2° | 60.0° |
| C12 | N3 | C3 | C4 | 1.4° | 0.0° |
| C12 | N3 | C3 | S1 | 179.8° | 180.0° |
| N3 | C12 | N2 | H5 | 0.0° | 180.0° |
| N3 | C12 | N2 | H6 | 180.0° | 0.1° |
| C16 | C21 | C20 | H17 | 180.0° | 179.7° |
| C16 | C21 | C20 | C19 | 2.4° | 0.5° |
| C21 | C16 | C17 | H13 | 175.5° | 180.0° |
| C16 | C21 | C20 | H16 | 177.6° | 180.0° |
| N1 | C4 | C3 | N3 | 0.8° | 0.0° |
| N1 | C4 | C3 | C1 | 178.7° | 180.0° |
| N1 | C4 | C3 | S1 | 179.4° | 180.0° |
| N1 | C4 | C1 | C2 | 179.5° | 180.0° |
| N1 | C4 | C1 | H1 | 0.5° | 0.1° |
| C18 | C19 | C20 | C21 | 0.9° | 0.6° |
| C18 | C19 | C20 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | H13 | 177.1° | 180.0° |
| C18 | C19 | C20 | H16 | 179.1° | 180.0° |
| F1 | C33 | C34 | H34 | 0.4° | 0.0° |
| N3 | C3 | C4 | S1 | 178.6° | 180.0° |
| N3 | C3 | C4 | C1 | 179.5° | 180.0° |
| N3 | C3 | S1 | C2 | 179.7° | 180.0° |
| C27 | N6 | C24 | C25 | 121.4° | 124.1° |
| C27 | N6 | C24 | C23 | 170.4° | 174.1° |
| C27 | N6 | C25 | C26 | 170.3° | 174.2° |
| C27 | N6 | C24 | H22 | 70.0° | 54.2° |
| C27 | N6 | C24 | H21 | 50.9° | 65.8° |
| C27 | N6 | C25 | H23 | 69.0° | 65.8° |
| C27 | N6 | C25 | H24 | 49.6° | 54.1° |
| N6 | C27 | H28 | H27 | 117.9° | 120.0° |
| C21 | C20 | C19 | H16 | 180.0° | 179.4° |
| C21 | C20 | C19 | H15 | 179.0° | 179.5° |
| C3 | C4 | C1 | C2 | 2.0° | 0.0° |
| C4 | C3 | S1 | C2 | 1.0° | 0.0° |
| C3 | C4 | C1 | H1 | 178.0° | 180.0° |
| C1 | C4 | C3 | S1 | 1.9° | 0.0° |
| C4 | C1 | C2 | H1 | 180.0° | 180.0° |
| C4 | C1 | C2 | S1 | 1.1° | 0.0° |
| C4 | C1 | C2 | C13 | 179.5° | 180.0° |
| C20 | C19 | C18 | H14 | 179.1° | 179.9° |
| C19 | C20 | C21 | H17 | 177.6° | 179.7° |
| N6 | C24 | C23 | H22 | 119.6° | 120.0° |
| N6 | C24 | C23 | H21 | 119.6° | 120.0° |
| N6 | C24 | C23 | C22 | 75.7° | 59.2° |
| C24 | N6 | C25 | C26 | 50.7° | 61.7° |
| N6 | C24 | C23 | H20 | 164.8° | 60.7° |
| N6 | C24 | C23 | H19 | 43.8° | 179.1° |
| N6 | C24 | H22 | H21 | 121.4° | 120.0° |
| C24 | N6 | C25 | H23 | 171.4° | 58.3° |
| C24 | N6 | C25 | H24 | 70.0° | 178.2° |
| C24 | N6 | C27 | H28 | 155.4° | 162.7° |
| C24 | N6 | C27 | H27 | 36.7° | 42.7° |
| C25 | N6 | C24 | C23 | 68.1° | 61.8° |
| N6 | C25 | C26 | H23 | 120.7° | 120.0° |
| N6 | C25 | C26 | H24 | 120.7° | 120.1° |
| N6 | C25 | C26 | C22 | 40.1° | 59.1° |
| C25 | N6 | C24 | H22 | 51.4° | 178.2° |
| C25 | N6 | C24 | H21 | 172.3° | 58.2° |
| N6 | C25 | H23 | H24 | 117.9° | 120.0° |
| N6 | C25 | C26 | H26 | 80.6° | 179.1° |
| N6 | C25 | C26 | H25 | 160.7° | 60.7° |
| C25 | N6 | C27 | H28 | 35.5° | 38.5° |
| C25 | N6 | C27 | H27 | 83.1° | 81.5° |
| C3 | S1 | C2 | C1 | 0.0° | 0.0° |
| C3 | S1 | C2 | C13 | 178.6° | 180.0° |
| C24 | C23 | C22 | H20 | 119.5° | 120.0° |
| C24 | C23 | C22 | H19 | 119.6° | 120.0° |
| C24 | C23 | C22 | C26 | 62.1° | 57.6° |
| C24 | C23 | C22 | N5 | 178.1° | 177.6° |
| C24 | C23 | C22 | H18 | 56.2° | 62.3° |
| C24 | C23 | H20 | H19 | 121.4° | 120.1° |
| C23 | C24 | H22 | H21 | 121.3° | 120.0° |
| C1 | C2 | S1 | C13 | 178.6° | 179.9° |
| C1 | C2 | C13 | N5 | 94.8° | 90.0° |
| C1 | C2 | C13 | H7 | 24.3° | 150.0° |
| C1 | C2 | C13 | H8 | 146.1° | 29.9° |
| C23 | C22 | C26 | C25 | 45.3° | 57.6° |
| C23 | C22 | C26 | N5 | 121.9° | 120.0° |
| C23 | C22 | C26 | H18 | 118.5° | 119.9° |
| C23 | C22 | N5 | H18 | 121.6° | 120.1° |
| C23 | C22 | N5 | C13 | 71.2° | 155.1° |
| C22 | C23 | H20 | H19 | 121.3° | 120.1° |
| C22 | C23 | C24 | H22 | 43.9° | 179.2° |
| C22 | C23 | C24 | H21 | 164.8° | 60.8° |
| C23 | C22 | C26 | H26 | 75.4° | 177.6° |
| C23 | C22 | C26 | H25 | 165.9° | 62.3° |
| C23 | C22 | N5 | H39 | 49.3° | 31.1° |
| C25 | C26 | C22 | H26 | 120.6° | 120.0° |
| C25 | C26 | C22 | H25 | 120.6° | 119.9° |
| C25 | C26 | C22 | N5 | 167.2° | 177.6° |
| C25 | C26 | C22 | H18 | 73.2° | 62.4° |
| C26 | C25 | H23 | H24 | 117.8° | 119.9° |
| C25 | C26 | H26 | H25 | 118.0° | 120.1° |
| S1 | C2 | C13 | N5 | 83.4° | 90.1° |
| S1 | C2 | C13 | H7 | 157.5° | 29.9° |
| S1 | C2 | C13 | H8 | 35.7° | 150.0° |
| S1 | C2 | C1 | H1 | 178.9° | 180.0° |
| C2 | C13 | N5 | C22 | 110.4° | 180.0° |
| C2 | C13 | N5 | H7 | 119.1° | 120.0° |
| C2 | C13 | N5 | H8 | 119.1° | 119.9° |
| C2 | C13 | H7 | H8 | 122.5° | 120.1° |
| C13 | C2 | C1 | H1 | 0.4° | 0.0° |
| C2 | C13 | N5 | H39 | 10.2° | 56.1° |
| C26 | C22 | N5 | H18 | 119.0° | 120.1° |
| C26 | C22 | N5 | C13 | 169.3° | 85.1° |
| C26 | C22 | C23 | H20 | 178.4° | 62.3° |
| C26 | C22 | C23 | H19 | 57.5° | 177.6° |
| C22 | C26 | C25 | H23 | 160.8° | 60.9° |
| C22 | C26 | C25 | H24 | 80.6° | 179.2° |
| C22 | C26 | H26 | H25 | 118.1° | 120.0° |
| C26 | C22 | N5 | H39 | 70.1° | 150.9° |
| C22 | N5 | C13 | H39 | 120.5° | 123.9° |
| C22 | N5 | C13 | H7 | 8.7° | 60.0° |
| C22 | N5 | C13 | H8 | 130.5° | 60.0° |
| N5 | C22 | C23 | H20 | 58.6° | 57.6° |
| N5 | C22 | C23 | H19 | 62.3° | 62.5° |
| N5 | C22 | C26 | H26 | 46.5° | 62.4° |
| N5 | C22 | C26 | H25 | 72.2° | 57.7° |
| N5 | C13 | H7 | H8 | 122.5° | 120.0° |
| C13 | N5 | C22 | H18 | 50.3° | 35.0° |
| H7 | C13 | N5 | H39 | 129.3° | 63.9° |
| H8 | C13 | N5 | H39 | 109.0° | 176.0° |
| H14 | C18 | C17 | H13 | 2.9° | 0.4° |
| H14 | C18 | C19 | H15 | 1.0° | 0.1° |
| H12 | C15 | C14 | H10 | 48.2° | 178.9° |
| H12 | C15 | C14 | H9 | 168.6° | 58.0° |
| H11 | C15 | C14 | H10 | 68.1° | 58.6° |
| H11 | C15 | C14 | H9 | 52.3° | 62.3° |
| H15 | C19 | C20 | H16 | 1.0° | 0.0° |
| H16 | C20 | C21 | H17 | 2.4° | 0.3° |
| H3 | C9 | C10 | H4 | 1.9° | 0.0° |
| H18 | C22 | C23 | H20 | 63.4° | 177.8° |
| H18 | C22 | C23 | H19 | 175.7° | 57.7° |
| H18 | C22 | C26 | H26 | 166.1° | 57.6° |
| H18 | C22 | C26 | H25 | 47.4° | 177.8° |
| H18 | C22 | N5 | H39 | 170.9° | 89.0° |
| H20 | C23 | C24 | H22 | 75.7° | 59.3° |
| H20 | C23 | C24 | H21 | 45.2° | 179.3° |
| H19 | C23 | C24 | H22 | 163.4° | 60.9° |
| H19 | C23 | C24 | H21 | 75.7° | 59.1° |
| H23 | C25 | C26 | H26 | 40.1° | 59.1° |
| H23 | C25 | C26 | H25 | 78.6° | 179.3° |
| H24 | C25 | C26 | H26 | 158.7° | 60.8° |
| H24 | C25 | C26 | H25 | 40.0° | 59.3° |
| H35 | C36 | C37 | H36 | 0.7° | 0.6° |
