FE8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | O3 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C29 | S1 | sing | 1.81Å | 1.83Å | |
| S1 | C30 | sing | 1.81Å | 1.82Å | |
| O4 | C32 | doub | 1.21Å | 1.19Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| C20 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C32 | N7 | sing | 1.35Å | 1.47Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | N8 | sing | 1.48Å | 1.48Å | |
| C15 | C14 | sing | 1.51Å | 1.59Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N6 | sing | 1.47Å | 1.47Å | |
| C14 | N6 | sing | 1.47Å | 1.48Å | |
| N6 | C13 | sing | 1.47Å | 1.48Å | |
| O2 | C12 | doub | 1.21Å | 1.18Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N8 | C33 | sing | 1.37Å | 1.44Å | |
| O5 | C33 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C12 | N5 | sing | 1.35Å | 1.48Å | |
| C33 | C5 | sing | 1.51Å | 1.55Å | |
| N5 | C11 | sing | 1.46Å | 1.30Å | |
| N5 | C8 | sing | 1.46Å | 1.63Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | N4 | sing | 1.48Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| O1 | C6 | doub | 1.21Å | 1.18Å | |
| C10 | C9 | sing | 1.54Å | 1.56Å | |
| N4 | C6 | sing | 1.36Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.29Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| N1 | C1 | doub | 1.30Å | 1.26Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | N3 | sing | 1.47Å | 1.46Å | |
| C1 | N3 | sing | 1.38Å | 1.25Å | |
| C1 | N2 | sing | 1.37Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| N1 | H38 | sing | 0.97Å | 1.00Å | |
| N2 | H40 | sing | 0.97Å | 1.00Å | |
| N2 | H41 | sing | 0.97Å | 1.00Å | |
| N3 | H42 | sing | 0.97Å | 1.00Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| N7 | H45 | sing | 0.97Å | 1.00Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| O3 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 120.0° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C27 | C26 | H21 | 120.0° | 120.0° |
| C26 | C27 | H22 | 119.9° | 120.0° |
| C26 | C25 | C24 | 120.0° | 119.9° |
| C26 | C25 | H20 | 120.0° | 120.0° |
| C25 | C26 | H21 | 120.0° | 119.9° |
| C27 | C28 | C29 | 117.7° | 120.0° |
| C27 | C28 | C23 | 120.1° | 120.0° |
| C28 | C27 | H22 | 119.9° | 120.0° |
| C25 | C24 | C23 | 120.4° | 120.0° |
| C25 | C24 | H19 | 119.8° | 120.0° |
| C24 | C25 | H20 | 120.0° | 120.0° |
| C29 | C28 | C23 | 122.3° | 120.1° |
| C28 | C29 | S1 | 114.2° | 109.4° |
| C28 | C29 | H23 | 108.3° | 109.5° |
| C28 | C29 | H24 | 108.3° | 109.4° |
| C28 | C23 | C24 | 119.3° | 120.0° |
| C28 | C23 | C22 | 122.3° | 120.0° |
| O3 | C21 | C20 | 107.1° | 109.4° |
| O3 | C21 | H15 | 110.1° | 109.5° |
| O3 | C21 | H16 | 110.0° | 109.4° |
| C21 | O3 | H48 | 109.5° | 114.0° |
| C21 | C20 | C19 | 117.7° | 120.0° |
| C21 | C20 | C15 | 122.4° | 120.0° |
| C20 | C21 | H15 | 110.0° | 109.4° |
| C20 | C21 | H16 | 110.1° | 109.5° |
| C29 | S1 | C30 | 102.4° | 103.0° |
| S1 | C29 | H23 | 108.3° | 109.5° |
| S1 | C29 | H24 | 108.3° | 109.5° |
| S1 | C30 | C31 | 113.8° | 109.4° |
| S1 | C30 | H27 | 108.4° | 109.5° |
| S1 | C30 | H28 | 108.4° | 109.4° |
| O4 | C32 | C31 | 121.4° | 120.0° |
| O4 | C32 | N7 | 118.8° | 119.9° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C19 | C20 | C15 | 119.9° | 120.0° |
| C20 | C19 | H12 | 119.9° | 120.0° |
| C19 | C18 | C17 | 119.9° | 120.0° |
| C19 | C18 | H11 | 120.0° | 120.0° |
| C18 | C19 | H12 | 119.9° | 120.0° |
| C24 | C23 | C22 | 118.4° | 120.0° |
| C23 | C24 | H19 | 119.8° | 120.0° |
| C30 | C31 | C32 | 111.4° | 109.6° |
| C30 | C31 | N8 | 112.0° | 108.5° |
| C31 | C30 | H27 | 108.4° | 109.5° |
| C31 | C30 | H28 | 108.4° | 109.5° |
| C30 | C31 | H29 | 108.4° | 109.7° |
| C23 | C22 | N6 | 113.0° | 109.4° |
| C23 | C22 | H17 | 108.6° | 109.5° |
| C23 | C22 | H18 | 108.6° | 109.4° |
| C20 | C15 | C14 | 123.0° | 120.0° |
| C20 | C15 | C16 | 119.4° | 120.0° |
| C31 | C32 | N7 | 119.8° | 120.0° |
| C32 | C31 | N8 | 107.6° | 109.6° |
| C32 | C31 | H29 | 108.4° | 109.8° |
| C32 | N7 | H45 | 120.0° | 119.9° |
| C32 | N7 | H46 | 120.0° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H10 | 120.0° | 120.0° |
| C17 | C18 | H11 | 120.0° | 120.0° |
| C31 | N8 | C33 | 117.6° | 114.8° |
| N8 | C31 | H29 | 108.9° | 109.6° |
| C31 | N8 | H47 | 121.2° | 122.6° |
| C14 | C15 | C16 | 117.6° | 120.0° |
| C15 | C14 | N6 | 113.8° | 109.4° |
| C15 | C14 | H7 | 108.4° | 109.5° |
| C15 | C14 | H8 | 108.4° | 109.5° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C15 | C16 | H9 | 119.8° | 120.0° |
| C22 | N6 | C14 | 111.0° | 111.0° |
| C22 | N6 | C13 | 108.3° | 111.0° |
| N6 | C22 | H17 | 108.6° | 109.5° |
| N6 | C22 | H18 | 108.6° | 109.5° |
| C14 | N6 | C13 | 109.3° | 111.0° |
| N6 | C14 | H7 | 108.4° | 109.4° |
| N6 | C14 | H8 | 108.4° | 109.5° |
| N6 | C13 | C12 | 111.8° | 109.5° |
| N6 | C13 | H5 | 108.9° | 109.5° |
| N6 | C13 | H6 | 108.9° | 109.4° |
| O2 | C12 | C13 | 120.7° | 120.0° |
| O2 | C12 | N5 | 120.3° | 120.0° |
| C17 | C16 | H9 | 119.7° | 120.0° |
| C16 | C17 | H10 | 120.0° | 120.0° |
| N8 | C33 | O5 | 118.1° | 120.7° |
| N8 | C33 | C5 | 122.9° | 118.6° |
| C33 | N8 | H47 | 121.2° | 122.6° |
| O5 | C33 | C5 | 118.9° | 120.7° |
| C13 | C12 | N5 | 118.9° | 120.0° |
| C12 | C13 | H5 | 108.9° | 109.5° |
| C12 | C13 | H6 | 108.9° | 109.5° |
| C12 | N5 | C11 | 127.6° | 125.5° |
| C12 | N5 | C8 | 125.6° | 125.1° |
| C33 | C5 | C4 | 111.2° | 109.6° |
| C33 | C5 | N4 | 118.0° | 108.9° |
| C33 | C5 | H32 | 104.8° | 109.5° |
| C11 | N5 | C8 | 106.9° | 109.4° |
| N5 | C11 | C10 | 105.5° | 107.9° |
| N5 | C11 | H3 | 110.5° | 109.8° |
| N5 | C11 | H4 | 110.5° | 109.8° |
| N5 | C8 | C9 | 106.6° | 108.2° |
| N5 | C8 | C7 | 111.3° | 109.8° |
| N5 | C8 | H35 | 107.5° | 109.7° |
| C11 | C10 | C9 | 105.7° | 105.0° |
| C11 | C10 | H1 | 110.4° | 110.3° |
| C11 | C10 | H2 | 110.4° | 110.4° |
| C10 | C11 | H3 | 110.5° | 109.8° |
| C10 | C11 | H4 | 110.5° | 109.8° |
| C4 | C5 | N4 | 111.2° | 109.6° |
| C5 | C4 | C3 | 110.2° | 109.5° |
| C5 | C4 | H30 | 109.3° | 109.5° |
| C5 | C4 | H31 | 109.3° | 109.5° |
| C4 | C5 | H32 | 105.2° | 109.5° |
| C5 | N4 | C6 | 127.9° | 116.2° |
| N4 | C5 | H32 | 105.3° | 109.7° |
| C5 | N4 | H43 | 116.0° | 121.9° |
| C4 | C3 | C2 | 110.8° | 109.5° |
| C4 | C3 | H25 | 109.2° | 109.5° |
| C4 | C3 | H26 | 109.1° | 109.5° |
| C3 | C4 | H30 | 109.3° | 109.5° |
| C3 | C4 | H31 | 109.3° | 109.4° |
| O1 | C6 | N4 | 122.1° | 120.5° |
| O1 | C6 | C7 | 119.3° | 120.4° |
| C10 | C9 | C8 | 106.7° | 106.3° |
| C9 | C10 | H1 | 110.4° | 110.3° |
| C9 | C10 | H2 | 110.4° | 110.3° |
| C10 | C9 | H36 | 110.2° | 110.1° |
| C10 | C9 | H37 | 110.2° | 110.1° |
| N4 | C6 | C7 | 118.6° | 119.1° |
| C6 | N4 | H43 | 116.0° | 121.9° |
| C6 | C7 | C8 | 121.2° | 109.3° |
| C6 | C7 | H33 | 106.5° | 109.5° |
| C6 | C7 | H34 | 106.5° | 109.5° |
| C9 | C8 | C7 | 110.8° | 110.0° |
| C9 | C8 | H35 | 112.3° | 109.8° |
| C8 | C9 | H36 | 110.1° | 110.1° |
| C8 | C9 | H37 | 110.1° | 110.1° |
| C8 | C7 | H33 | 106.5° | 109.5° |
| C8 | C7 | H34 | 106.5° | 109.5° |
| C7 | C8 | H35 | 108.3° | 109.4° |
| N1 | C1 | N3 | 121.0° | 120.0° |
| N1 | C1 | N2 | 120.1° | 120.0° |
| C1 | N1 | H38 | 112.0° | 120.0° |
| C3 | C2 | N3 | 110.2° | 109.5° |
| C3 | C2 | H13 | 109.3° | 109.5° |
| C3 | C2 | H14 | 109.3° | 109.5° |
| C2 | C3 | H25 | 109.1° | 109.4° |
| C2 | C3 | H26 | 109.1° | 109.5° |
| C2 | N3 | C1 | 120.6° | 120.0° |
| N3 | C2 | H13 | 109.3° | 109.4° |
| N3 | C2 | H14 | 109.3° | 109.5° |
| C2 | N3 | H42 | 119.7° | 120.0° |
| N3 | C1 | N2 | 118.9° | 120.0° |
| C1 | N3 | H42 | 119.7° | 120.0° |
| C1 | N2 | H40 | 120.0° | 120.0° |
| C1 | N2 | H41 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.4° | 110.3° |
| H3 | C11 | H4 | 109.5° | 109.8° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.6° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.4° | 109.5° |
| H25 | C3 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H30 | C4 | H31 | 109.5° | 109.5° |
| H33 | C7 | H34 | 109.5° | 109.5° |
| H36 | C9 | H37 | 109.5° | 110.0° |
| H40 | N2 | H41 | 120.0° | 120.0° |
| H45 | N7 | H46 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H21 | 180.0° | 179.9° |
| C26 | C27 | C28 | H22 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.1° |
| C26 | C27 | C28 | C29 | 179.2° | 179.9° |
| C26 | C27 | C28 | C23 | 0.7° | 0.1° |
| C27 | C26 | C25 | H20 | 179.7° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C24 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H19 | 179.9° | 180.0° |
| C25 | C26 | C27 | H22 | 180.0° | 180.0° |
| C27 | C28 | C29 | C23 | 178.4° | 180.0° |
| C27 | C28 | C29 | S1 | 101.9° | 55.4° |
| C27 | C28 | C23 | C24 | 1.1° | 0.1° |
| C27 | C28 | C23 | C22 | 179.6° | 179.9° |
| C28 | C27 | C26 | H21 | 180.0° | 179.9° |
| C27 | C28 | C29 | H23 | 137.4° | 64.6° |
| C27 | C28 | C29 | H24 | 18.9° | 175.3° |
| C25 | C24 | C23 | C28 | 0.8° | 0.1° |
| C25 | C24 | C23 | H19 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 179.8° | 180.0° |
| C24 | C25 | C26 | H21 | 179.7° | 180.0° |
| C28 | C29 | S1 | H23 | 120.7° | 120.0° |
| C28 | C29 | S1 | H24 | 120.7° | 119.9° |
| C28 | C29 | S1 | C30 | 168.7° | 162.3° |
| C29 | C28 | C23 | C24 | 179.5° | 179.9° |
| C29 | C28 | C23 | C22 | 1.2° | 0.0° |
| C29 | C28 | C27 | H22 | 0.8° | 0.0° |
| C28 | C29 | H23 | H24 | 117.8° | 120.0° |
| C23 | C28 | C29 | S1 | 79.7° | 124.7° |
| C28 | C23 | C24 | C22 | 179.3° | 179.9° |
| C28 | C23 | C22 | N6 | 78.0° | 104.1° |
| C28 | C23 | C22 | H17 | 42.5° | 135.9° |
| C28 | C23 | C22 | H18 | 161.5° | 15.9° |
| C28 | C23 | C24 | H19 | 179.2° | 179.9° |
| C23 | C28 | C27 | H22 | 179.3° | 179.9° |
| C23 | C28 | C29 | H23 | 41.0° | 115.3° |
| C23 | C28 | C29 | H24 | 159.6° | 4.7° |
| O3 | C21 | C20 | H15 | 119.7° | 120.0° |
| O3 | C21 | C20 | H16 | 119.6° | 119.9° |
| O3 | C21 | C20 | C19 | 90.0° | 3.5° |
| O3 | C21 | C20 | C15 | 89.6° | 177.1° |
| O3 | C21 | H15 | H16 | 121.1° | 120.0° |
| C21 | C20 | C19 | C15 | 179.6° | 179.4° |
| C21 | C20 | C19 | C18 | 179.9° | 180.0° |
| C21 | C20 | C15 | C14 | 0.7° | 0.4° |
| C21 | C20 | C15 | C16 | 180.0° | 180.0° |
| C21 | C20 | C19 | H12 | 0.1° | 0.6° |
| C20 | C21 | H15 | H16 | 121.1° | 120.1° |
| C20 | C21 | O3 | H48 | 62.8° | 175.0° |
| C29 | S1 | C30 | C31 | 164.2° | 102.2° |
| S1 | C29 | H23 | H24 | 117.9° | 120.1° |
| C29 | S1 | C30 | H27 | 43.6° | 17.8° |
| C29 | S1 | C30 | H28 | 75.2° | 137.8° |
| S1 | C30 | C31 | H27 | 120.6° | 120.0° |
| S1 | C30 | C31 | H28 | 120.6° | 119.9° |
| S1 | C30 | C31 | C32 | 162.4° | 4.8° |
| S1 | C30 | C31 | N8 | 77.0° | 114.9° |
| C30 | S1 | C29 | H23 | 47.9° | 42.3° |
| C30 | S1 | C29 | H24 | 70.6° | 77.8° |
| S1 | C30 | H27 | H28 | 118.1° | 120.0° |
| S1 | C30 | C31 | H29 | 43.2° | 125.4° |
| O4 | C32 | C31 | C30 | 24.1° | 100.0° |
| O4 | C32 | C31 | N7 | 180.0° | 180.0° |
| O4 | C32 | C31 | N8 | 147.2° | 19.0° |
| O4 | C32 | C31 | H29 | 95.1° | 139.5° |
| O4 | C32 | N7 | H45 | 0.0° | 180.0° |
| O4 | C32 | N7 | H46 | 180.0° | 0.0° |
| C20 | C19 | C18 | H12 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 0.2° | 0.3° |
| C19 | C20 | C15 | C14 | 179.7° | 179.7° |
| C19 | C20 | C15 | C16 | 0.5° | 0.6° |
| C20 | C19 | C18 | H11 | 179.8° | 179.8° |
| C19 | C20 | C21 | H15 | 150.4° | 123.5° |
| C19 | C20 | C21 | H16 | 29.7° | 116.4° |
| C18 | C19 | C20 | C15 | 0.4° | 0.6° |
| C19 | C18 | C17 | H11 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | H10 | 179.9° | 180.0° |
| C24 | C23 | C22 | N6 | 102.7° | 76.0° |
| C24 | C23 | C22 | H17 | 136.8° | 44.0° |
| C24 | C23 | C22 | H18 | 17.8° | 164.0° |
| C23 | C24 | C25 | H20 | 179.9° | 180.0° |
| C30 | C31 | C32 | N8 | 123.1° | 119.0° |
| C30 | C31 | C32 | H29 | 119.2° | 120.5° |
| C30 | C31 | C32 | N7 | 155.9° | 80.0° |
| C30 | C31 | N8 | H29 | 119.9° | 119.8° |
| C30 | C31 | N8 | C33 | 115.8° | 159.2° |
| C31 | C30 | H27 | H28 | 118.0° | 120.0° |
| C30 | C31 | N8 | H47 | 64.2° | 20.8° |
| C23 | C22 | N6 | H17 | 120.5° | 120.0° |
| C23 | C22 | N6 | H18 | 120.5° | 119.9° |
| C23 | C22 | N6 | C14 | 68.7° | 72.2° |
| C23 | C22 | N6 | C13 | 171.3° | 163.8° |
| C23 | C22 | H17 | H18 | 118.4° | 120.0° |
| C22 | C23 | C24 | H19 | 0.2° | 0.0° |
| C20 | C15 | C14 | C16 | 179.3° | 179.7° |
| C20 | C15 | C14 | N6 | 59.0° | 168.8° |
| C20 | C15 | C16 | C17 | 0.4° | 0.3° |
| C20 | C15 | C14 | H7 | 61.6° | 48.9° |
| C20 | C15 | C14 | H8 | 179.7° | 71.2° |
| C20 | C15 | C16 | H9 | 179.6° | 179.7° |
| C15 | C20 | C19 | H12 | 179.7° | 179.9° |
| C15 | C20 | C21 | H15 | 30.1° | 57.2° |
| C15 | C20 | C21 | H16 | 150.8° | 63.0° |
| C32 | C31 | N8 | H29 | 117.4° | 120.6° |
| C32 | C31 | N8 | C33 | 121.5° | 39.5° |
| C32 | C31 | C30 | H27 | 76.9° | 124.8° |
| C32 | C31 | C30 | H28 | 41.8° | 115.1° |
| C31 | C32 | N7 | H45 | 180.0° | 0.0° |
| C31 | C32 | N7 | H46 | 0.0° | 180.0° |
| C32 | C31 | N8 | H47 | 58.5° | 140.5° |
| N7 | C32 | C31 | N8 | 32.8° | 161.0° |
| N7 | C32 | C31 | H29 | 84.9° | 40.5° |
| C32 | N7 | H45 | H46 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H10 | 180.0° | 180.0° |
| C18 | C17 | C16 | H9 | 179.7° | 180.0° |
| C17 | C18 | C19 | H12 | 179.8° | 179.7° |
| C31 | N8 | C33 | H47 | 180.0° | 180.0° |
| C31 | N8 | C33 | O5 | 0.2° | 0.7° |
| C31 | N8 | C33 | C5 | 177.9° | 179.3° |
| N8 | C31 | C30 | H27 | 43.6° | 5.2° |
| N8 | C31 | C30 | H28 | 162.4° | 125.2° |
| C15 | C14 | N6 | C22 | 163.4° | 89.8° |
| C15 | C14 | N6 | H7 | 120.6° | 120.0° |
| C15 | C14 | N6 | H8 | 120.7° | 120.1° |
| C15 | C14 | N6 | C13 | 77.2° | 146.2° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C15 | C14 | H7 | H8 | 118.0° | 120.1° |
| C14 | C15 | C16 | H9 | 0.3° | 0.0° |
| C16 | C15 | C14 | N6 | 121.7° | 11.5° |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | H7 | 117.7° | 131.5° |
| C16 | C15 | C14 | H8 | 1.1° | 108.5° |
| C15 | C16 | C17 | H10 | 179.7° | 180.0° |
| C22 | N6 | C14 | C13 | 119.4° | 123.9° |
| C22 | N6 | C13 | C12 | 97.9° | 86.0° |
| C22 | N6 | C13 | H5 | 22.5° | 34.1° |
| C22 | N6 | C13 | H6 | 141.8° | 154.0° |
| C22 | N6 | C14 | H7 | 42.8° | 30.1° |
| C22 | N6 | C14 | H8 | 75.9° | 150.1° |
| N6 | C22 | H17 | H18 | 118.4° | 120.1° |
| C14 | N6 | C13 | C12 | 141.1° | 38.0° |
| C14 | N6 | C13 | H5 | 98.5° | 158.0° |
| C14 | N6 | C13 | H6 | 20.8° | 82.0° |
| N6 | C14 | H7 | H8 | 118.0° | 120.0° |
| C14 | N6 | C22 | H17 | 170.8° | 167.8° |
| C14 | N6 | C22 | H18 | 51.9° | 47.7° |
| N6 | C13 | C12 | O2 | 0.5° | 5.1° |
| N6 | C13 | C12 | H5 | 120.4° | 120.0° |
| N6 | C13 | C12 | H6 | 120.3° | 120.0° |
| N6 | C13 | C12 | N5 | 179.5° | 175.0° |
| N6 | C13 | H5 | H6 | 118.9° | 120.0° |
| C13 | N6 | C14 | H7 | 162.1° | 93.8° |
| C13 | N6 | C14 | H8 | 43.4° | 26.2° |
| C13 | N6 | C22 | H17 | 50.8° | 43.8° |
| C13 | N6 | C22 | H18 | 68.1° | 76.2° |
| O2 | C12 | C13 | N5 | 179.9° | 179.9° |
| O2 | C12 | N5 | C11 | 0.2° | 179.0° |
| O2 | C12 | N5 | C8 | 179.8° | 1.2° |
| O2 | C12 | C13 | H5 | 119.9° | 114.9° |
| O2 | C12 | C13 | H6 | 120.8° | 125.1° |
| C16 | C17 | C18 | H11 | 179.9° | 179.9° |
| N8 | C33 | O5 | C5 | 178.2° | 180.0° |
| N8 | C33 | C5 | C4 | 143.3° | 8.6° |
| N8 | C33 | C5 | N4 | 13.1° | 128.4° |
| C33 | N8 | C31 | H29 | 4.1° | 81.1° |
| N8 | C33 | C5 | H32 | 103.6° | 111.6° |
| O5 | C33 | C5 | C4 | 38.6° | 171.5° |
| O5 | C33 | C5 | N4 | 168.8° | 51.6° |
| O5 | C33 | C5 | H32 | 74.5° | 68.4° |
| O5 | C33 | N8 | H47 | 179.8° | 179.3° |
| C13 | C12 | N5 | C11 | 179.8° | 1.1° |
| C13 | C12 | N5 | C8 | 0.1° | 178.7° |
| C12 | C13 | H5 | H6 | 119.0° | 120.1° |
| C12 | N5 | C11 | C8 | 179.7° | 179.8° |
| C12 | N5 | C11 | C10 | 153.5° | 163.4° |
| C12 | N5 | C8 | C9 | 148.4° | 171.7° |
| C12 | N5 | C8 | C7 | 90.6° | 68.2° |
| C12 | N5 | C11 | H3 | 34.1° | 77.0° |
| C12 | N5 | C11 | H4 | 87.2° | 43.8° |
| N5 | C12 | C13 | H5 | 60.2° | 65.0° |
| N5 | C12 | C13 | H6 | 59.1° | 55.1° |
| C12 | N5 | C8 | H35 | 27.9° | 52.0° |
| C33 | C5 | C4 | N4 | 133.7° | 119.5° |
| C33 | C5 | C4 | H32 | 112.9° | 120.1° |
| C33 | C5 | N4 | H32 | 116.4° | 119.9° |
| C33 | C5 | C4 | C3 | 161.0° | 77.6° |
| C33 | C5 | N4 | C6 | 90.6° | 99.2° |
| C33 | C5 | C4 | H30 | 40.9° | 162.4° |
| C33 | C5 | C4 | H31 | 78.9° | 42.3° |
| C33 | C5 | N4 | H43 | 89.4° | 80.8° |
| C5 | C33 | N8 | H47 | 2.1° | 0.7° |
| N5 | C11 | C10 | H3 | 119.4° | 119.6° |
| N5 | C11 | C10 | H4 | 119.4° | 119.7° |
| N5 | C11 | C10 | C9 | 15.7° | 18.1° |
| C11 | N5 | C8 | C9 | 31.3° | 8.4° |
| C11 | N5 | C8 | C7 | 89.7° | 111.6° |
| N5 | C11 | C10 | H1 | 103.7° | 100.8° |
| N5 | C11 | C10 | H2 | 135.1° | 137.1° |
| N5 | C11 | H3 | H4 | 121.8° | 120.8° |
| C11 | N5 | C8 | H35 | 151.9° | 128.1° |
| C8 | N5 | C11 | C10 | 26.2° | 16.8° |
| N5 | C8 | C9 | C10 | 19.2° | 3.2° |
| N5 | C8 | C7 | C6 | 21.3° | 99.1° |
| N5 | C8 | C9 | C7 | 121.3° | 119.9° |
| N5 | C8 | C9 | H35 | 117.4° | 119.6° |
| N5 | C8 | C7 | H35 | 117.9° | 120.4° |
| C8 | N5 | C11 | H3 | 145.6° | 102.8° |
| C8 | N5 | C11 | H4 | 93.1° | 136.4° |
| N5 | C8 | C7 | H33 | 100.4° | 20.8° |
| N5 | C8 | C7 | H34 | 142.9° | 140.9° |
| N5 | C8 | C9 | H36 | 100.4° | 122.4° |
| N5 | C8 | C9 | H37 | 138.8° | 116.1° |
| C11 | C10 | C9 | H1 | 119.4° | 118.9° |
| C11 | C10 | C9 | H2 | 119.4° | 119.0° |
| C11 | C10 | C9 | C8 | 4.7° | 12.8° |
| C11 | C10 | H1 | H2 | 121.7° | 122.2° |
| C10 | C11 | H3 | H4 | 121.8° | 120.8° |
| C11 | C10 | C9 | H36 | 114.9° | 132.0° |
| C11 | C10 | C9 | H37 | 124.3° | 106.5° |
| C4 | C5 | N4 | H32 | 113.4° | 120.3° |
| C5 | C4 | C3 | H30 | 120.1° | 120.0° |
| C5 | C4 | C3 | H31 | 120.1° | 120.0° |
| C4 | C5 | N4 | C6 | 39.6° | 20.6° |
| C5 | C4 | C3 | C2 | 155.0° | 174.6° |
| C5 | C4 | C3 | H25 | 84.8° | 54.6° |
| C5 | C4 | C3 | H26 | 34.8° | 65.4° |
| C5 | C4 | H30 | H31 | 119.7° | 120.0° |
| C4 | C5 | N4 | H43 | 140.4° | 159.3° |
| N4 | C5 | C4 | C3 | 65.3° | 162.9° |
| C5 | N4 | C6 | O1 | 2.0° | 0.8° |
| C5 | N4 | C6 | H43 | 180.0° | 180.0° |
| C5 | N4 | C6 | C7 | 177.8° | 179.1° |
| N4 | C5 | C4 | H30 | 174.6° | 42.9° |
| N4 | C5 | C4 | H31 | 54.8° | 77.1° |
| C4 | C3 | C2 | H25 | 120.2° | 120.0° |
| C4 | C3 | C2 | H26 | 120.2° | 120.0° |
| C4 | C3 | C2 | N3 | 119.9° | 180.0° |
| C4 | C3 | C2 | H13 | 120.0° | 60.0° |
| C4 | C3 | C2 | H14 | 0.2° | 60.0° |
| C4 | C3 | H25 | H26 | 119.4° | 120.0° |
| C3 | C4 | H30 | H31 | 119.6° | 120.0° |
| C3 | C4 | C5 | H32 | 48.1° | 42.5° |
| O1 | C6 | N4 | C7 | 179.8° | 180.0° |
| O1 | C6 | C7 | C8 | 78.0° | 15.7° |
| O1 | C6 | C7 | H33 | 160.4° | 104.3° |
| O1 | C6 | C7 | H34 | 43.7° | 135.6° |
| O1 | C6 | N4 | H43 | 177.9° | 179.2° |
| C10 | C9 | C8 | H36 | 119.6° | 119.2° |
| C10 | C9 | C8 | H37 | 119.6° | 119.2° |
| C10 | C9 | C8 | C7 | 102.1° | 123.1° |
| C9 | C10 | H1 | H2 | 121.7° | 122.2° |
| C9 | C10 | C11 | H3 | 135.0° | 101.4° |
| C9 | C10 | C11 | H4 | 103.7° | 137.8° |
| C10 | C9 | C8 | H35 | 136.6° | 116.5° |
| C10 | C9 | H36 | H37 | 121.3° | 121.5° |
| N4 | C6 | C7 | C8 | 102.2° | 164.3° |
| C6 | N4 | C5 | H32 | 153.0° | 140.9° |
| N4 | C6 | C7 | H33 | 19.4° | 75.8° |
| N4 | C6 | C7 | H34 | 136.2° | 44.3° |
| C6 | C7 | C8 | C9 | 139.7° | 141.9° |
| C6 | C7 | C8 | H33 | 121.6° | 120.0° |
| C6 | C7 | C8 | H34 | 121.6° | 120.0° |
| C6 | C7 | H33 | H34 | 114.7° | 120.1° |
| C6 | C7 | C8 | H35 | 96.7° | 21.3° |
| C7 | C6 | N4 | H43 | 2.2° | 0.9° |
| C9 | C8 | C7 | H35 | 123.6° | 120.7° |
| C8 | C9 | C10 | H1 | 124.1° | 106.1° |
| C8 | C9 | C10 | H2 | 114.7° | 131.8° |
| C9 | C8 | C7 | H33 | 18.1° | 98.1° |
| C9 | C8 | C7 | H34 | 98.6° | 22.0° |
| C8 | C9 | H36 | H37 | 121.2° | 121.6° |
| C8 | C7 | H33 | H34 | 114.7° | 120.0° |
| C7 | C8 | C9 | H36 | 138.3° | 117.7° |
| C7 | C8 | C9 | H37 | 17.5° | 3.8° |
| N1 | C1 | N3 | C2 | 0.6° | 179.7° |
| N1 | C1 | N3 | N2 | 179.7° | 179.8° |
| N1 | C1 | N2 | H40 | 179.7° | 179.7° |
| N1 | C1 | N2 | H41 | 0.3° | 0.2° |
| N1 | C1 | N3 | H42 | 179.4° | 0.3° |
| C3 | C2 | N3 | H13 | 120.1° | 120.0° |
| C3 | C2 | N3 | H14 | 120.1° | 120.0° |
| C3 | C2 | N3 | C1 | 142.7° | 180.0° |
| C3 | C2 | H13 | H14 | 119.7° | 120.0° |
| C2 | C3 | H25 | H26 | 119.4° | 120.0° |
| C2 | C3 | C4 | H30 | 34.9° | 65.4° |
| C2 | C3 | C4 | H31 | 84.9° | 54.6° |
| C3 | C2 | N3 | H42 | 37.3° | 0.0° |
| C2 | N3 | C1 | H42 | 180.0° | 180.0° |
| C2 | N3 | C1 | N2 | 179.7° | 0.0° |
| N3 | C2 | H13 | H14 | 119.7° | 120.0° |
| N3 | C2 | C3 | H25 | 0.4° | 60.0° |
| N3 | C2 | C3 | H26 | 119.9° | 60.0° |
| C1 | N3 | C2 | H13 | 97.2° | 60.0° |
| C1 | N3 | C2 | H14 | 22.6° | 60.0° |
| N3 | C1 | N1 | H38 | 179.7° | 180.0° |
| N3 | C1 | N2 | H40 | 0.0° | 0.0° |
| N3 | C1 | N2 | H41 | 180.0° | 180.0° |
| N2 | C1 | N1 | H38 | 0.0° | 0.2° |
| C1 | N2 | H40 | H41 | 180.0° | 179.9° |
| N2 | C1 | N3 | H42 | 0.3° | 179.9° |
| H1 | C10 | C11 | H3 | 15.6° | 139.7° |
| H1 | C10 | C11 | H4 | 136.9° | 18.9° |
| H1 | C10 | C9 | H36 | 4.6° | 13.1° |
| H1 | C10 | C9 | H37 | 116.3° | 134.6° |
| H2 | C10 | C11 | H3 | 105.5° | 17.5° |
| H2 | C10 | C11 | H4 | 15.7° | 103.3° |
| H2 | C10 | C9 | H36 | 125.7° | 109.0° |
| H2 | C10 | C9 | H37 | 4.9° | 12.5° |
| H9 | C16 | C17 | H10 | 0.3° | 0.1° |
| H10 | C17 | C18 | H11 | 0.1° | 0.0° |
| H11 | C18 | C19 | H12 | 0.1° | 0.3° |
| H13 | C2 | C3 | H25 | 119.7° | 59.9° |
| H13 | C2 | C3 | H26 | 0.1° | 180.0° |
| H13 | C2 | N3 | H42 | 82.8° | 120.0° |
| H14 | C2 | C3 | H25 | 120.4° | 179.9° |
| H14 | C2 | C3 | H26 | 120.0° | 60.0° |
| H14 | C2 | N3 | H42 | 157.4° | 120.0° |
| H15 | C21 | O3 | H48 | 56.9° | 55.1° |
| H16 | C21 | O3 | H48 | 177.6° | 65.0° |
| H19 | C24 | C25 | H20 | 0.1° | 0.0° |
| H20 | C25 | C26 | H21 | 0.2° | 0.0° |
| H21 | C26 | C27 | H22 | 0.0° | 0.0° |
| H25 | C3 | C4 | H30 | 155.1° | 174.6° |
| H25 | C3 | C4 | H31 | 35.3° | 65.4° |
| H26 | C3 | C4 | H30 | 85.3° | 54.6° |
| H26 | C3 | C4 | H31 | 154.9° | 174.6° |
| H27 | C30 | C31 | H29 | 163.9° | 114.6° |
| H28 | C30 | C31 | H29 | 77.4° | 5.5° |
| H29 | C31 | N8 | H47 | 175.9° | 98.9° |
| H30 | C4 | C5 | H32 | 72.0° | 77.5° |
| H31 | C4 | C5 | H32 | 168.2° | 162.5° |
| H32 | C5 | N4 | H43 | 27.0° | 39.1° |
| H33 | C7 | C8 | H35 | 141.7° | 141.2° |
| H34 | C7 | C8 | H35 | 25.0° | 98.7° |
| H35 | C8 | C9 | H36 | 17.0° | 2.8° |
| H35 | C8 | C9 | H37 | 103.8° | 124.3° |
