A1A24
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C33 | sing | 1.35Å | 1.36Å | |
| O2 | C15 | sing | 1.43Å | 1.37Å | |
| O2 | C8 | sing | 1.36Å | 1.41Å | |
| C34 | C33 | doub | 1.38Å | 1.34Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.51Å | Aromatic |
| O1 | C11 | doub | 1.22Å | 1.30Å | |
| C9 | C8 | doub | 1.39Å | 1.45Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.34Å | Aromatic |
| N9 | C32 | doub | 1.31Å | 1.36Å | Aromatic |
| N9 | N7 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.54Å | 1.42Å | |
| C8 | C7 | sing | 1.39Å | 1.33Å | Aromatic |
| C33 | C30 | sing | 1.38Å | 1.48Å | Aromatic |
| F2 | C35 | sing | 1.35Å | 1.35Å | |
| C10 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
| C32 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | N4 | sing | 1.47Å | 1.43Å | |
| C35 | C36 | doub | 1.38Å | 1.28Å | Aromatic |
| N2 | C12 | sing | 1.39Å | 1.35Å | |
| C7 | N4 | sing | 1.40Å | 1.41Å | |
| C7 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C29 | N7 | sing | 1.46Å | 1.47Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.46Å | 1.47Å | |
| C11 | N1 | sing | 1.35Å | 1.32Å | |
| N7 | C31 | sing | 1.34Å | 1.40Å | Aromatic |
| N4 | C16 | sing | 1.40Å | 1.42Å | |
| C5 | C6 | sing | 1.39Å | 1.35Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.45Å | |
| C21 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C30 | C28 | sing | 1.51Å | 1.51Å | |
| C30 | C37 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | N3 | doub | 1.31Å | 1.30Å | |
| N8 | C31 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | C4 | sing | 1.40Å | 1.40Å | |
| C16 | C17 | sing | 1.39Å | 1.33Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | N6 | sing | 1.47Å | 1.45Å | |
| C36 | C37 | sing | 1.38Å | 1.48Å | Aromatic |
| C28 | O3 | sing | 1.43Å | 1.41Å | |
| N3 | C3 | sing | 1.34Å | 1.35Å | |
| C17 | C18 | doub | 1.38Å | 1.46Å | Aromatic |
| N6 | C24 | sing | 1.47Å | 1.46Å | |
| N6 | C25 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | C1 | sing | 1.40Å | 1.35Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.33Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.44Å | |
| C3 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C1 | C2 | doub | 1.33Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| S1 | C2 | sing | 1.76Å | 1.75Å | Aromatic |
| C2 | C13 | sing | 1.51Å | 1.43Å | |
| C26 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C13 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| N5 | H39 | sing | 1.01Å | 1.00Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C33 | C34 | 121.7° | 120.0° |
| F1 | C33 | C30 | 120.9° | 120.0° |
| C15 | O2 | C8 | 109.8° | 117.7° |
| O2 | C15 | C14 | 122.4° | 108.8° |
| O2 | C15 | H12 | 106.2° | 109.6° |
| O2 | C15 | H11 | 106.1° | 109.7° |
| O2 | C8 | C9 | 111.6° | 119.6° |
| O2 | C8 | C7 | 126.5° | 120.8° |
| C33 | C34 | C35 | 119.2° | 119.9° |
| C34 | C33 | C30 | 117.3° | 120.0° |
| C33 | C34 | H35 | 120.4° | 120.0° |
| C34 | C35 | F2 | 114.3° | 120.0° |
| C34 | C35 | C36 | 124.4° | 120.0° |
| C35 | C34 | H35 | 120.4° | 120.1° |
| O1 | C11 | C12 | 119.5° | 120.5° |
| O1 | C11 | N1 | 122.2° | 120.5° |
| C8 | C9 | C10 | 119.1° | 120.2° |
| C9 | C8 | C7 | 121.8° | 119.6° |
| C8 | C9 | H3 | 120.5° | 119.9° |
| C9 | C10 | C5 | 119.4° | 120.2° |
| C9 | C10 | H4 | 120.3° | 119.9° |
| C10 | C9 | H3 | 120.5° | 119.9° |
| C32 | N9 | N7 | 101.1° | 106.8° |
| N9 | C32 | N8 | 113.6° | 108.9° |
| N9 | C32 | H34 | 123.2° | 125.5° |
| N9 | N7 | C29 | 122.2° | 126.8° |
| N9 | N7 | C31 | 110.5° | 106.4° |
| C15 | C14 | N4 | 114.8° | 107.6° |
| C15 | C14 | H10 | 108.1° | 109.9° |
| C15 | C14 | H9 | 108.1° | 109.9° |
| C14 | C15 | H12 | 106.1° | 109.6° |
| C14 | C15 | H11 | 106.2° | 109.6° |
| C8 | C7 | N4 | 119.5° | 119.7° |
| C8 | C7 | C6 | 118.8° | 120.2° |
| C33 | C30 | C28 | 117.7° | 120.0° |
| C33 | C30 | C37 | 121.5° | 120.0° |
| F2 | C35 | C36 | 121.0° | 120.0° |
| C10 | C5 | C6 | 120.5° | 119.9° |
| C10 | C5 | N1 | 117.9° | 120.0° |
| C5 | C10 | H4 | 120.3° | 119.8° |
| C32 | N8 | C31 | 108.2° | 109.8° |
| N8 | C32 | H34 | 123.2° | 125.6° |
| C14 | N4 | C7 | 117.4° | 117.7° |
| C14 | N4 | C16 | 117.4° | 121.2° |
| N4 | C14 | H10 | 108.1° | 109.9° |
| N4 | C14 | H9 | 108.1° | 109.8° |
| C35 | C36 | C37 | 116.9° | 120.0° |
| C35 | C36 | H36 | 121.5° | 120.0° |
| N2 | C12 | C11 | 116.2° | 120.3° |
| N2 | C12 | N3 | 119.4° | 120.3° |
| C12 | N2 | H6 | 120.0° | 120.0° |
| C12 | N2 | H5 | 120.0° | 120.0° |
| N4 | C7 | C6 | 121.6° | 120.0° |
| C7 | N4 | C16 | 125.0° | 121.1° |
| C7 | C6 | C5 | 119.8° | 119.9° |
| C7 | C6 | H2 | 120.1° | 120.1° |
| N7 | C29 | C28 | 114.1° | 109.5° |
| C29 | N7 | C31 | 127.3° | 126.8° |
| N7 | C29 | H31 | 108.3° | 109.5° |
| N7 | C29 | H30 | 108.3° | 109.4° |
| C29 | C28 | C30 | 106.2° | 109.5° |
| C29 | C28 | C27 | 108.3° | 109.4° |
| C29 | C28 | O3 | 106.3° | 109.5° |
| C28 | C29 | H31 | 108.3° | 109.5° |
| C28 | C29 | H30 | 108.3° | 109.4° |
| C12 | C11 | N1 | 118.1° | 119.0° |
| C11 | C12 | N3 | 124.3° | 119.4° |
| C11 | N1 | C5 | 121.0° | 120.2° |
| C11 | N1 | C4 | 121.2° | 119.7° |
| N7 | C31 | N8 | 106.6° | 108.1° |
| N7 | C31 | H33 | 126.7° | 125.9° |
| N4 | C16 | C21 | 118.9° | 120.1° |
| N4 | C16 | C17 | 120.0° | 120.0° |
| C6 | C5 | N1 | 121.0° | 120.1° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| C5 | N1 | C4 | 117.6° | 120.1° |
| C16 | C21 | C20 | 121.0° | 119.9° |
| C21 | C16 | C17 | 121.1° | 119.9° |
| C16 | C21 | H17 | 119.5° | 120.0° |
| C21 | C20 | C19 | 119.0° | 120.1° |
| C21 | C20 | H16 | 120.5° | 119.9° |
| C20 | C21 | H17 | 119.5° | 120.1° |
| C28 | C30 | C37 | 120.8° | 120.0° |
| C30 | C28 | C27 | 113.1° | 109.5° |
| C30 | C28 | O3 | 108.8° | 109.5° |
| C30 | C37 | C36 | 120.6° | 120.0° |
| C30 | C37 | H37 | 119.7° | 120.0° |
| C12 | N3 | C3 | 115.5° | 121.6° |
| N8 | C31 | H33 | 126.7° | 126.0° |
| N1 | C4 | C3 | 115.3° | 119.1° |
| N1 | C4 | C1 | 131.9° | 127.9° |
| C16 | C17 | C18 | 118.6° | 119.9° |
| C16 | C17 | H13 | 120.7° | 120.1° |
| C20 | C19 | C18 | 118.7° | 120.2° |
| C20 | C19 | H15 | 120.6° | 119.9° |
| C19 | C20 | H16 | 120.5° | 120.0° |
| C28 | C27 | N6 | 118.7° | 109.4° |
| C27 | C28 | O3 | 113.7° | 109.5° |
| C28 | C27 | H29 | 107.1° | 109.5° |
| C28 | C27 | H28 | 107.1° | 109.5° |
| C27 | N6 | C24 | 108.7° | 110.9° |
| C27 | N6 | C25 | 121.2° | 111.0° |
| N6 | C27 | H29 | 107.1° | 109.5° |
| N6 | C27 | H28 | 107.1° | 109.5° |
| C37 | C36 | H36 | 121.5° | 120.0° |
| C36 | C37 | H37 | 119.7° | 120.0° |
| C28 | O3 | H32 | 109.5° | 113.9° |
| N3 | C3 | C4 | 125.3° | 121.1° |
| N3 | C3 | S1 | 125.2° | 129.5° |
| C17 | C18 | C19 | 121.2° | 120.1° |
| C18 | C17 | H13 | 120.7° | 120.0° |
| C17 | C18 | H14 | 119.4° | 120.0° |
| C24 | N6 | C25 | 108.5° | 111.1° |
| N6 | C24 | C23 | 108.2° | 109.5° |
| N6 | C24 | H23 | 109.8° | 109.4° |
| N6 | C24 | H22 | 109.8° | 109.5° |
| N6 | C25 | C26 | 108.7° | 109.5° |
| N6 | C25 | H24 | 109.7° | 109.5° |
| N6 | C25 | H25 | 109.7° | 109.5° |
| C3 | C4 | C1 | 112.8° | 113.0° |
| C4 | C3 | S1 | 109.3° | 109.4° |
| C4 | C1 | C2 | 116.0° | 115.9° |
| C4 | C1 | H1 | 122.0° | 122.0° |
| C19 | C18 | H14 | 119.4° | 120.0° |
| C18 | C19 | H15 | 120.6° | 119.9° |
| C24 | C23 | C22 | 122.5° | 109.3° |
| C24 | C23 | H21 | 106.1° | 109.5° |
| C24 | C23 | H20 | 106.1° | 109.6° |
| C23 | C24 | H23 | 109.8° | 109.5° |
| C23 | C24 | H22 | 109.8° | 109.4° |
| C3 | S1 | C2 | 93.6° | 91.4° |
| C1 | C2 | S1 | 108.2° | 110.4° |
| C1 | C2 | C13 | 128.9° | 124.7° |
| C2 | C1 | H1 | 122.0° | 122.1° |
| C23 | C22 | C26 | 109.7° | 109.2° |
| C23 | C22 | N5 | 111.4° | 109.6° |
| C23 | C22 | H19 | 108.1° | 109.5° |
| C22 | C23 | H21 | 106.1° | 109.5° |
| C22 | C23 | H20 | 106.1° | 109.5° |
| C25 | C26 | C22 | 110.2° | 109.2° |
| C26 | C25 | H24 | 109.7° | 109.5° |
| C26 | C25 | H25 | 109.7° | 109.4° |
| C25 | C26 | H27 | 109.3° | 109.5° |
| C25 | C26 | H26 | 109.3° | 109.5° |
| S1 | C2 | C13 | 122.7° | 124.8° |
| C2 | C13 | N5 | 104.8° | 109.5° |
| C2 | C13 | H7 | 110.6° | 109.4° |
| C2 | C13 | H8 | 110.6° | 109.5° |
| C26 | C22 | N5 | 112.7° | 109.5° |
| C26 | C22 | H19 | 106.9° | 109.5° |
| C22 | C26 | H27 | 109.3° | 109.6° |
| C22 | C26 | H26 | 109.3° | 109.5° |
| C22 | N5 | C13 | 115.5° | 111.0° |
| N5 | C22 | H19 | 107.8° | 109.5° |
| C22 | N5 | H39 | 108.0° | 111.0° |
| N5 | C13 | H7 | 110.6° | 109.5° |
| N5 | C13 | H8 | 110.6° | 109.5° |
| C13 | N5 | H39 | 107.9° | 111.0° |
| H6 | N2 | H5 | 120.0° | 120.0° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C14 | H9 | 109.4° | 109.8° |
| H12 | C15 | H11 | 109.4° | 109.5° |
| H21 | C23 | H20 | 109.5° | 109.5° |
| H23 | C24 | H22 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H27 | C26 | H26 | 109.5° | 109.5° |
| H29 | C27 | H28 | 109.4° | 109.5° |
| H31 | C29 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C33 | C34 | C30 | 179.0° | 180.0° |
| F1 | C33 | C34 | C35 | 179.4° | 180.0° |
| F1 | C33 | C30 | C28 | 1.2° | 0.0° |
| F1 | C33 | C30 | C37 | 179.8° | 179.8° |
| F1 | C33 | C34 | H35 | 0.6° | 0.0° |
| C15 | O2 | C8 | C9 | 160.0° | 159.9° |
| O2 | C15 | C14 | H12 | 121.8° | 119.8° |
| O2 | C15 | C14 | H11 | 121.8° | 120.0° |
| C15 | O2 | C8 | C7 | 17.1° | 20.3° |
| O2 | C15 | C14 | N4 | 35.4° | 58.2° |
| O2 | C15 | C14 | H10 | 156.3° | 177.8° |
| O2 | C15 | C14 | H9 | 85.3° | 61.3° |
| O2 | C15 | H12 | H11 | 114.2° | 120.4° |
| O2 | C8 | C9 | C7 | 177.3° | 179.8° |
| O2 | C8 | C9 | C10 | 176.3° | 179.9° |
| C8 | O2 | C15 | C14 | 35.5° | 49.4° |
| O2 | C8 | C7 | N4 | 0.8° | 0.5° |
| O2 | C8 | C7 | C6 | 178.7° | 179.5° |
| C8 | O2 | C15 | H12 | 86.3° | 70.4° |
| C8 | O2 | C15 | H11 | 157.3° | 169.3° |
| O2 | C8 | C9 | H3 | 3.7° | 0.4° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | F2 | 177.3° | 180.0° |
| C33 | C34 | C35 | C36 | 2.9° | 0.0° |
| C34 | C33 | C30 | C28 | 179.8° | 180.0° |
| C34 | C33 | C30 | C37 | 1.2° | 0.2° |
| C35 | C34 | C33 | C30 | 1.6° | 0.0° |
| C34 | C35 | F2 | C36 | 174.6° | 179.9° |
| C34 | C35 | C36 | C37 | 3.2° | 0.3° |
| C34 | C35 | C36 | H36 | 176.8° | 180.0° |
| O1 | C11 | C12 | N2 | 2.9° | 0.1° |
| O1 | C11 | C12 | N1 | 174.8° | 180.0° |
| O1 | C11 | N1 | C5 | 0.7° | 0.0° |
| O1 | C11 | C12 | N3 | 179.0° | 180.0° |
| O1 | C11 | N1 | C4 | 176.9° | 180.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 7.3° | 0.5° |
| C9 | C8 | C7 | N4 | 177.6° | 179.8° |
| C9 | C8 | C7 | C6 | 4.4° | 0.2° |
| C8 | C9 | C10 | H4 | 172.8° | 180.0° |
| C10 | C9 | C8 | C7 | 6.4° | 0.1° |
| C9 | C10 | C5 | H4 | 180.0° | 179.4° |
| C9 | C10 | C5 | C6 | 6.9° | 0.7° |
| C9 | C10 | C5 | N1 | 178.4° | 179.7° |
| N9 | C32 | N8 | H34 | 180.0° | 179.9° |
| C32 | N9 | N7 | C29 | 175.3° | 179.8° |
| C32 | N9 | N7 | C31 | 1.7° | 0.1° |
| N9 | C32 | N8 | C31 | 0.3° | 0.2° |
| N7 | N9 | C32 | N8 | 0.8° | 0.0° |
| N9 | N7 | C29 | C31 | 176.4° | 179.9° |
| N9 | N7 | C29 | C28 | 115.4° | 54.5° |
| N9 | N7 | C31 | N8 | 1.9° | 0.2° |
| N9 | N7 | C29 | H31 | 5.2° | 174.6° |
| N9 | N7 | C29 | H30 | 123.9° | 65.5° |
| N9 | N7 | C31 | H33 | 178.1° | 179.9° |
| N7 | N9 | C32 | H34 | 179.2° | 179.9° |
| C15 | C14 | N4 | H10 | 120.8° | 119.6° |
| C15 | C14 | N4 | H9 | 120.8° | 119.5° |
| C15 | C14 | N4 | C7 | 13.9° | 42.0° |
| C15 | C14 | N4 | C16 | 171.2° | 138.0° |
| C15 | C14 | H10 | H9 | 117.5° | 120.9° |
| C14 | C15 | H12 | H11 | 114.2° | 120.3° |
| C8 | C7 | N4 | C14 | 2.4° | 13.8° |
| C8 | C7 | N4 | C6 | 177.9° | 180.0° |
| C8 | C7 | N4 | C16 | 172.1° | 166.1° |
| C8 | C7 | C6 | C5 | 3.8° | 0.1° |
| C8 | C7 | C6 | H2 | 176.2° | 179.9° |
| C7 | C8 | C9 | H3 | 173.6° | 179.9° |
| C33 | C30 | C28 | C29 | 61.1° | 58.3° |
| C33 | C30 | C28 | C37 | 178.6° | 179.7° |
| C33 | C30 | C28 | C27 | 57.5° | 61.7° |
| C33 | C30 | C37 | C36 | 1.6° | 0.5° |
| C33 | C30 | C28 | O3 | 175.1° | 178.3° |
| C30 | C33 | C34 | H35 | 178.3° | 180.0° |
| C33 | C30 | C37 | H37 | 178.4° | 179.7° |
| F2 | C35 | C36 | C37 | 177.2° | 179.8° |
| F2 | C35 | C34 | H35 | 2.7° | 0.0° |
| F2 | C35 | C36 | H36 | 2.8° | 0.1° |
| C10 | C5 | C6 | C7 | 4.9° | 0.3° |
| C10 | C5 | N1 | C11 | 84.0° | 109.7° |
| C10 | C5 | C6 | N1 | 171.2° | 179.6° |
| C10 | C5 | N1 | C4 | 92.3° | 70.3° |
| C10 | C5 | C6 | H2 | 175.0° | 179.6° |
| C5 | C10 | C9 | H3 | 172.7° | 179.7° |
| C32 | N8 | C31 | N7 | 1.3° | 0.2° |
| C32 | N8 | C31 | H33 | 178.7° | 180.0° |
| C14 | N4 | C7 | C16 | 174.5° | 180.0° |
| C14 | N4 | C7 | C6 | 179.7° | 166.1° |
| C14 | N4 | C16 | C21 | 115.1° | 113.5° |
| C14 | N4 | C16 | C17 | 64.2° | 66.2° |
| N4 | C14 | H10 | H9 | 117.6° | 120.9° |
| N4 | C14 | C15 | H12 | 86.4° | 61.6° |
| N4 | C14 | C15 | H11 | 157.2° | 178.2° |
| C35 | C36 | C37 | C30 | 2.6° | 0.6° |
| C35 | C36 | C37 | H36 | 180.0° | 179.7° |
| C36 | C35 | C34 | H35 | 177.1° | 179.9° |
| C35 | C36 | C37 | H37 | 177.4° | 179.7° |
| N2 | C12 | C11 | N3 | 178.0° | 179.9° |
| N2 | C12 | C11 | N1 | 177.7° | 180.0° |
| N2 | C12 | N3 | C3 | 176.7° | 180.0° |
| C12 | N2 | H6 | H5 | 180.0° | 180.0° |
| N4 | C7 | C6 | C5 | 178.3° | 179.9° |
| C7 | N4 | C16 | C21 | 59.5° | 66.5° |
| C7 | N4 | C16 | C17 | 121.3° | 113.8° |
| N4 | C7 | C6 | H2 | 1.8° | 0.1° |
| C7 | N4 | C14 | H10 | 134.7° | 161.6° |
| C7 | N4 | C14 | H9 | 106.9° | 77.5° |
| C6 | C7 | N4 | C16 | 5.8° | 13.9° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | N1 | 176.2° | 180.0° |
| N7 | C29 | C28 | H31 | 120.7° | 120.1° |
| N7 | C29 | C28 | H30 | 120.7° | 120.0° |
| N7 | C29 | C28 | C30 | 62.5° | 179.3° |
| C29 | N7 | C31 | N8 | 174.8° | 179.7° |
| N7 | C29 | C28 | C27 | 175.8° | 59.3° |
| N7 | C29 | C28 | O3 | 53.2° | 60.7° |
| N7 | C29 | H31 | H30 | 117.9° | 120.0° |
| C29 | N7 | C31 | H33 | 5.1° | 0.0° |
| C28 | C29 | N7 | C31 | 68.1° | 125.4° |
| C29 | C28 | C30 | C27 | 118.6° | 120.0° |
| C29 | C28 | C30 | O3 | 114.0° | 120.1° |
| C29 | C28 | C30 | C37 | 120.3° | 122.0° |
| C29 | C28 | C27 | O3 | 117.9° | 120.0° |
| C29 | C28 | C27 | N6 | 159.0° | 176.4° |
| C29 | C28 | C27 | H29 | 79.7° | 63.7° |
| C29 | C28 | C27 | H28 | 37.7° | 56.4° |
| C28 | C29 | H31 | H30 | 117.9° | 119.9° |
| C29 | C28 | O3 | H32 | 180.0° | 180.0° |
| C12 | C11 | N1 | C5 | 173.9° | 180.0° |
| C12 | C11 | N1 | C4 | 2.3° | 0.0° |
| C11 | C12 | N3 | C3 | 5.3° | 0.1° |
| C11 | C12 | N2 | H6 | 178.1° | 0.1° |
| C11 | C12 | N2 | H5 | 1.9° | 180.0° |
| C11 | N1 | C5 | C6 | 87.4° | 69.9° |
| C11 | N1 | C5 | C4 | 176.3° | 180.0° |
| N1 | C11 | C12 | N3 | 4.3° | 0.1° |
| C11 | N1 | C4 | C3 | 1.8° | 0.0° |
| C11 | N1 | C4 | C1 | 179.6° | 179.6° |
| N7 | C31 | N8 | H33 | 180.0° | 179.7° |
| C31 | N7 | C29 | H31 | 171.2° | 5.3° |
| C31 | N7 | C29 | H30 | 52.5° | 114.6° |
| N4 | C16 | C21 | C17 | 179.2° | 179.7° |
| N4 | C16 | C21 | C20 | 173.7° | 179.7° |
| N4 | C16 | C17 | C18 | 177.8° | 179.9° |
| C16 | N4 | C14 | H10 | 50.4° | 18.4° |
| C16 | N4 | C14 | H9 | 68.0° | 102.5° |
| N4 | C16 | C17 | H13 | 2.2° | 0.0° |
| N4 | C16 | C21 | H17 | 6.2° | 0.1° |
| C6 | C5 | N1 | C4 | 96.2° | 110.1° |
| C6 | C5 | C10 | H4 | 173.1° | 179.9° |
| C5 | N1 | C4 | C3 | 174.5° | 180.0° |
| C5 | N1 | C4 | C1 | 3.3° | 0.3° |
| N1 | C5 | C6 | H2 | 3.8° | 0.0° |
| N1 | C5 | C10 | H4 | 1.7° | 0.3° |
| C16 | C21 | C20 | H17 | 180.0° | 179.6° |
| C16 | C21 | C20 | C19 | 7.5° | 0.6° |
| C21 | C16 | C17 | C18 | 1.4° | 0.3° |
| C21 | C16 | C17 | H13 | 178.6° | 179.7° |
| C16 | C21 | C20 | H16 | 172.5° | 179.7° |
| C20 | C21 | C16 | C17 | 5.5° | 0.6° |
| C21 | C20 | C19 | H16 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 5.6° | 0.2° |
| C21 | C20 | C19 | H15 | 174.4° | 179.8° |
| C30 | C28 | C27 | O3 | 124.8° | 120.0° |
| C30 | C28 | C27 | N6 | 83.7° | 63.6° |
| C28 | C30 | C37 | C36 | 179.8° | 179.7° |
| C30 | C28 | C27 | H29 | 37.7° | 56.3° |
| C30 | C28 | C27 | H28 | 155.0° | 176.4° |
| C30 | C28 | C29 | H31 | 58.2° | 59.2° |
| C30 | C28 | C29 | H30 | 176.8° | 60.8° |
| C28 | C30 | C37 | H37 | 0.2° | 0.0° |
| C30 | C28 | O3 | H32 | 66.1° | 60.0° |
| C37 | C30 | C28 | C27 | 121.1° | 118.0° |
| C30 | C37 | C36 | H37 | 180.0° | 179.7° |
| C37 | C30 | C28 | O3 | 6.3° | 2.0° |
| C30 | C37 | C36 | H36 | 177.4° | 179.8° |
| C12 | N3 | C3 | C4 | 4.9° | 0.0° |
| C12 | N3 | C3 | S1 | 179.1° | 179.9° |
| N3 | C12 | N2 | H6 | 0.0° | 180.0° |
| N3 | C12 | N2 | H5 | 180.0° | 0.1° |
| C31 | N8 | C32 | H34 | 179.7° | 180.0° |
| N1 | C4 | C3 | N3 | 3.2° | 0.0° |
| N1 | C4 | C3 | C1 | 178.2° | 179.7° |
| N1 | C4 | C3 | S1 | 179.7° | 180.0° |
| N1 | C4 | C1 | C2 | 179.3° | 179.7° |
| N1 | C4 | C1 | H1 | 0.7° | 0.1° |
| C16 | C17 | C18 | H13 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.1° |
| C16 | C17 | C18 | H14 | 179.6° | 179.9° |
| C17 | C16 | C21 | H17 | 174.5° | 179.7° |
| C20 | C19 | C18 | C17 | 1.7° | 0.1° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | H14 | 178.3° | 180.0° |
| C19 | C20 | C21 | H17 | 172.5° | 179.8° |
| C28 | C27 | N6 | H29 | 121.3° | 120.0° |
| C28 | C27 | N6 | H28 | 121.3° | 120.0° |
| C28 | C27 | N6 | C24 | 62.1° | 155.9° |
| C28 | C27 | N6 | C25 | 64.5° | 80.0° |
| C28 | C27 | H29 | H28 | 115.8° | 120.0° |
| C27 | C28 | C29 | H31 | 63.6° | 60.8° |
| C27 | C28 | C29 | H30 | 55.1° | 179.3° |
| C27 | C28 | O3 | H32 | 61.0° | 60.0° |
| N6 | C27 | C28 | O3 | 41.1° | 56.4° |
| C27 | N6 | C24 | C25 | 133.7° | 124.0° |
| C27 | N6 | C24 | C23 | 164.7° | 174.2° |
| C27 | N6 | C25 | C26 | 163.8° | 174.2° |
| C27 | N6 | C24 | H23 | 75.5° | 54.2° |
| C27 | N6 | C24 | H22 | 44.9° | 65.8° |
| C27 | N6 | C25 | H24 | 43.9° | 65.8° |
| C27 | N6 | C25 | H25 | 76.3° | 54.2° |
| N6 | C27 | H29 | H28 | 115.8° | 120.0° |
| O3 | C28 | C27 | H29 | 162.5° | 176.3° |
| O3 | C28 | C27 | H28 | 80.2° | 63.6° |
| O3 | C28 | C29 | H31 | 173.9° | 179.2° |
| O3 | C28 | C29 | H30 | 67.4° | 59.3° |
| N3 | C3 | C4 | S1 | 176.5° | 180.0° |
| N3 | C3 | C4 | C1 | 178.6° | 179.7° |
| N3 | C3 | S1 | C2 | 178.2° | 179.6° |
| C17 | C18 | C19 | H14 | 180.0° | 179.9° |
| C17 | C18 | C19 | H15 | 178.3° | 179.9° |
| N6 | C24 | C23 | H23 | 119.8° | 119.9° |
| N6 | C24 | C23 | H22 | 119.8° | 120.0° |
| N6 | C24 | C23 | C22 | 49.4° | 59.2° |
| C24 | N6 | C25 | C26 | 69.4° | 61.8° |
| N6 | C24 | C23 | H21 | 171.1° | 60.7° |
| N6 | C24 | C23 | H20 | 72.4° | 179.2° |
| N6 | C24 | H23 | H22 | 120.6° | 120.0° |
| C24 | N6 | C25 | H24 | 170.7° | 58.2° |
| C24 | N6 | C25 | H25 | 50.4° | 178.2° |
| C24 | N6 | C27 | H29 | 59.2° | 84.1° |
| C24 | N6 | C27 | H28 | 176.5° | 35.9° |
| C25 | N6 | C24 | C23 | 61.6° | 61.8° |
| N6 | C25 | C26 | H24 | 119.9° | 120.1° |
| N6 | C25 | C26 | H25 | 119.9° | 120.0° |
| N6 | C25 | C26 | C22 | 58.5° | 59.2° |
| C25 | N6 | C24 | H23 | 58.2° | 178.2° |
| C25 | N6 | C24 | H22 | 178.6° | 58.2° |
| N6 | C25 | H24 | H25 | 120.4° | 120.0° |
| N6 | C25 | C26 | H27 | 61.6° | 179.2° |
| N6 | C25 | C26 | H26 | 178.6° | 60.7° |
| C25 | N6 | C27 | H29 | 174.2° | 40.0° |
| C25 | N6 | C27 | H28 | 56.8° | 160.0° |
| C3 | C4 | C1 | C2 | 1.5° | 0.0° |
| C4 | C3 | S1 | C2 | 1.7° | 0.3° |
| C3 | C4 | C1 | H1 | 178.5° | 179.8° |
| C1 | C4 | C3 | S1 | 2.1° | 0.3° |
| C4 | C1 | C2 | H1 | 180.0° | 179.8° |
| C4 | C1 | C2 | S1 | 0.2° | 0.2° |
| C4 | C1 | C2 | C13 | 175.0° | 179.7° |
| C19 | C18 | C17 | H13 | 179.6° | 180.0° |
| C18 | C19 | C20 | H16 | 174.4° | 180.0° |
| C24 | C23 | C22 | H21 | 121.8° | 120.0° |
| C24 | C23 | C22 | H20 | 121.8° | 120.0° |
| C24 | C23 | C22 | C26 | 39.5° | 57.6° |
| C24 | C23 | C22 | N5 | 165.0° | 177.5° |
| C24 | C23 | C22 | H19 | 76.7° | 62.3° |
| C24 | C23 | H21 | H20 | 114.1° | 120.1° |
| C23 | C24 | H23 | H22 | 120.6° | 120.0° |
| C3 | S1 | C2 | C1 | 0.9° | 0.3° |
| C3 | S1 | C2 | C13 | 174.3° | 179.6° |
| C1 | C2 | S1 | C13 | 175.2° | 180.0° |
| C1 | C2 | C13 | N5 | 90.4° | 90.0° |
| C1 | C2 | C13 | H7 | 28.9° | 150.0° |
| C1 | C2 | C13 | H8 | 150.4° | 30.0° |
| C23 | C22 | C26 | C25 | 41.1° | 57.6° |
| C23 | C22 | C26 | N5 | 124.8° | 120.0° |
| C23 | C22 | C26 | H19 | 117.0° | 120.0° |
| C23 | C22 | N5 | H19 | 118.4° | 120.1° |
| C23 | C22 | N5 | C13 | 71.1° | 155.1° |
| C22 | C23 | H21 | H20 | 114.1° | 120.0° |
| C22 | C23 | C24 | H23 | 70.5° | 179.1° |
| C22 | C23 | C24 | H22 | 169.2° | 60.8° |
| C23 | C22 | C26 | H27 | 79.0° | 177.6° |
| C23 | C22 | C26 | H26 | 161.2° | 62.3° |
| C23 | C22 | N5 | H39 | 49.8° | 31.2° |
| C25 | C26 | C22 | H27 | 120.1° | 120.0° |
| C25 | C26 | C22 | H26 | 120.1° | 119.9° |
| C25 | C26 | C22 | N5 | 165.9° | 177.6° |
| C25 | C26 | C22 | H19 | 75.9° | 62.4° |
| C26 | C25 | H24 | H25 | 120.4° | 119.9° |
| C25 | C26 | H27 | H26 | 119.7° | 120.0° |
| S1 | C2 | C13 | N5 | 83.7° | 89.9° |
| S1 | C2 | C1 | H1 | 179.8° | 180.0° |
| S1 | C2 | C13 | H7 | 157.0° | 30.0° |
| S1 | C2 | C13 | H8 | 35.5° | 150.0° |
| C2 | C13 | N5 | C22 | 105.3° | 179.9° |
| C2 | C13 | N5 | H7 | 119.3° | 120.0° |
| C2 | C13 | N5 | H8 | 119.3° | 120.0° |
| C13 | C2 | C1 | H1 | 5.0° | 0.1° |
| C2 | C13 | H7 | H8 | 122.2° | 120.0° |
| C2 | C13 | N5 | H39 | 15.6° | 56.0° |
| C26 | C22 | N5 | H19 | 117.7° | 120.1° |
| C26 | C22 | N5 | C13 | 165.1° | 85.1° |
| C26 | C22 | C23 | H21 | 161.3° | 62.3° |
| C26 | C22 | C23 | H20 | 82.3° | 177.6° |
| C22 | C26 | C25 | H24 | 178.3° | 60.9° |
| C22 | C26 | C25 | H25 | 61.4° | 179.2° |
| C22 | C26 | H27 | H26 | 119.7° | 120.1° |
| C26 | C22 | N5 | H39 | 74.1° | 150.9° |
| C22 | N5 | C13 | H39 | 120.9° | 123.9° |
| C22 | N5 | C13 | H7 | 14.0° | 60.0° |
| C22 | N5 | C13 | H8 | 135.5° | 60.0° |
| N5 | C22 | C23 | H21 | 73.2° | 57.6° |
| N5 | C22 | C23 | H20 | 43.2° | 62.4° |
| N5 | C22 | C26 | H27 | 45.8° | 62.5° |
| N5 | C22 | C26 | H26 | 74.0° | 57.7° |
| N5 | C13 | H7 | H8 | 122.2° | 120.0° |
| C13 | N5 | C22 | H19 | 47.3° | 35.0° |
| H4 | C10 | C9 | H3 | 7.3° | 0.3° |
| H7 | C13 | N5 | H39 | 134.9° | 64.0° |
| H8 | C13 | N5 | H39 | 103.7° | 176.0° |
| H10 | C14 | C15 | H12 | 34.4° | 58.0° |
| H10 | C14 | C15 | H11 | 82.0° | 62.2° |
| H9 | C14 | C15 | H12 | 152.8° | 178.9° |
| H9 | C14 | C15 | H11 | 36.4° | 58.6° |
| H13 | C17 | C18 | H14 | 0.4° | 0.1° |
| H14 | C18 | C19 | H15 | 1.7° | 0.0° |
| H15 | C19 | C20 | H16 | 5.6° | 0.0° |
| H16 | C20 | C21 | H17 | 7.4° | 0.0° |
| H19 | C22 | C23 | H21 | 45.0° | 177.7° |
| H19 | C22 | C23 | H20 | 161.5° | 57.7° |
| H19 | C22 | C26 | H27 | 164.0° | 57.6° |
| H19 | C22 | C26 | H26 | 44.2° | 177.8° |
| H19 | C22 | N5 | H39 | 168.2° | 89.0° |
| H21 | C23 | C24 | H23 | 51.3° | 59.2° |
| H21 | C23 | C24 | H22 | 69.1° | 179.2° |
| H20 | C23 | C24 | H23 | 167.8° | 60.9° |
| H20 | C23 | C24 | H22 | 47.4° | 59.1° |
| H24 | C25 | C26 | H27 | 58.3° | 59.1° |
| H24 | C25 | C26 | H26 | 61.5° | 179.2° |
| H25 | C25 | C26 | H27 | 178.5° | 60.8° |
| H25 | C25 | C26 | H26 | 58.7° | 59.3° |
| H36 | C36 | C37 | H37 | 2.6° | 0.0° |
