9GI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| O4 | C17 | sing | 1.43Å | 1.44Å | |
| O4 | C13 | sing | 1.43Å | 1.43Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C12 | sing | 1.53Å | 1.52Å | |
| O6 | C15 | doub | 1.21Å | 1.23Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C | N3 | sing | 1.46Å | 1.45Å | |
| N | C2 | sing | 1.46Å | 1.44Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C26 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C16 | sing | 1.51Å | 1.50Å | |
| C12 | C25 | sing | 1.53Å | 1.54Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | O5 | sing | 1.35Å | 1.44Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C32 | C5 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| C16 | O5 | sing | 1.45Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | |
| N1 | N4 | sing | 1.40Å | 1.34Å | |
| N4 | C6 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| N2 | C10 | sing | 1.34Å | 1.32Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | 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 | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H42 | sing | 1.09Å | 1.10Å | |
| C6 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å | |
| C9 | H47 | sing | 1.09Å | 1.10Å | |
| C9 | H48 | sing | 1.09Å | 1.10Å | |
| N1 | H49 | sing | 0.97Å | 1.00Å | |
| N2 | H50 | sing | 0.97Å | 1.00Å | |
| N3 | H51 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C19 | 109.0° | 109.5° |
| C18 | C17 | O4 | 107.2° | 109.5° |
| C18 | C17 | C20 | 109.1° | 109.5° |
| C17 | C18 | H12 | 109.5° | 109.5° |
| C17 | C18 | H13 | 109.5° | 109.5° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| C29 | C28 | C27 | 119.8° | 120.0° |
| C28 | C29 | C30 | 120.1° | 120.0° |
| C29 | C28 | H33 | 120.1° | 120.0° |
| C28 | C29 | H34 | 119.9° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C28 | C27 | H32 | 120.1° | 120.0° |
| C27 | C28 | H33 | 120.1° | 120.0° |
| C29 | C30 | C31 | 120.7° | 120.0° |
| C30 | C29 | H34 | 120.0° | 120.0° |
| C29 | C30 | H35 | 119.7° | 120.0° |
| C19 | C17 | O4 | 110.5° | 109.5° |
| C19 | C17 | C20 | 110.4° | 109.5° |
| C17 | C19 | H15 | 109.5° | 109.5° |
| C17 | C19 | H16 | 109.5° | 109.5° |
| C17 | C19 | H17 | 109.5° | 109.5° |
| C17 | O4 | C13 | 115.2° | 114.0° |
| O4 | C17 | C20 | 110.6° | 109.4° |
| O4 | C13 | C14 | 110.9° | 109.5° |
| O4 | C13 | C | 108.3° | 109.5° |
| O4 | C13 | H6 | 108.9° | 109.4° |
| C17 | C20 | H19 | 109.5° | 109.5° |
| C17 | C20 | H20 | 109.5° | 109.5° |
| C17 | C20 | H21 | 109.4° | 109.4° |
| C27 | C26 | C31 | 120.6° | 120.0° |
| C27 | C26 | C16 | 119.5° | 120.0° |
| C26 | C27 | H32 | 120.1° | 120.0° |
| C22 | C21 | C12 | 112.1° | 109.5° |
| C21 | C22 | C23 | 110.0° | 109.5° |
| C22 | C21 | H22 | 108.8° | 109.4° |
| C22 | C21 | H23 | 108.8° | 109.5° |
| C21 | C22 | H24 | 109.3° | 109.5° |
| C21 | C22 | H25 | 109.3° | 109.5° |
| C21 | C12 | C11 | 109.8° | 109.5° |
| C21 | C12 | C25 | 107.9° | 109.5° |
| C21 | C12 | H5 | 108.2° | 109.4° |
| C12 | C21 | H22 | 108.8° | 109.5° |
| C12 | C21 | H23 | 108.8° | 109.5° |
| O6 | C15 | N3 | 124.7° | 120.0° |
| O6 | C15 | O5 | 119.0° | 120.0° |
| C14 | C13 | C | 113.4° | 109.5° |
| C14 | C13 | H6 | 107.6° | 109.5° |
| C13 | C14 | H7 | 109.5° | 109.4° |
| C13 | C14 | H8 | 109.5° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.4° |
| C22 | C23 | C24 | 111.3° | 109.5° |
| C23 | C22 | H24 | 109.4° | 109.5° |
| C23 | C22 | H25 | 109.3° | 109.5° |
| C22 | C23 | H26 | 109.0° | 109.5° |
| C22 | C23 | H27 | 109.0° | 109.5° |
| C30 | C31 | C26 | 119.0° | 120.0° |
| C31 | C30 | H35 | 119.6° | 120.0° |
| C30 | C31 | H36 | 120.5° | 120.0° |
| C13 | C | C1 | 112.1° | 109.4° |
| C13 | C | N3 | 108.6° | 109.5° |
| C13 | C | H2 | 108.3° | 109.5° |
| C | C13 | H6 | 107.6° | 109.5° |
| C12 | C11 | C2 | 116.1° | 109.5° |
| C11 | C12 | C25 | 114.8° | 109.5° |
| C12 | C11 | H3 | 107.8° | 109.5° |
| C12 | C11 | H4 | 107.8° | 109.5° |
| C11 | C12 | H5 | 108.0° | 109.5° |
| C11 | C2 | N | 110.0° | 109.5° |
| C11 | C2 | C3 | 112.7° | 109.5° |
| C2 | C11 | H3 | 107.8° | 109.5° |
| C2 | C11 | H4 | 107.8° | 109.4° |
| C11 | C2 | H18 | 108.3° | 109.5° |
| O1 | C3 | C2 | 119.8° | 120.0° |
| O1 | C3 | N1 | 121.8° | 120.0° |
| C1 | C | N3 | 109.7° | 109.5° |
| C | C1 | N | 116.0° | 120.0° |
| C | C1 | O | 121.5° | 120.0° |
| C1 | C | H2 | 108.6° | 109.5° |
| C | N3 | C15 | 123.0° | 120.0° |
| N3 | C | H2 | 109.4° | 109.5° |
| C | N3 | H51 | 118.5° | 120.0° |
| C2 | N | C1 | 118.5° | 120.0° |
| N | C2 | C3 | 107.8° | 109.5° |
| C2 | N | H1 | 120.8° | 120.0° |
| N | C2 | H18 | 109.4° | 109.5° |
| N | C1 | O | 122.5° | 120.0° |
| C1 | N | H1 | 120.8° | 120.0° |
| C31 | C26 | C16 | 119.8° | 120.0° |
| C26 | C31 | H36 | 120.5° | 120.0° |
| C26 | C16 | O5 | 108.7° | 109.5° |
| C26 | C16 | H10 | 109.6° | 109.5° |
| C26 | C16 | H11 | 109.7° | 109.5° |
| C12 | C25 | C24 | 112.0° | 109.4° |
| C25 | C12 | H5 | 108.0° | 109.5° |
| C12 | C25 | H30 | 108.8° | 109.5° |
| C12 | C25 | H31 | 108.8° | 109.4° |
| N3 | C15 | O5 | 116.3° | 120.0° |
| C15 | N3 | H51 | 118.5° | 120.0° |
| C15 | O5 | C16 | 120.8° | 117.0° |
| C2 | C3 | N1 | 118.4° | 120.0° |
| C3 | C2 | H18 | 108.6° | 109.4° |
| C3 | N1 | N4 | 121.1° | 120.0° |
| C3 | N1 | H49 | 119.4° | 120.0° |
| C23 | C24 | C25 | 111.8° | 109.5° |
| C24 | C23 | H26 | 109.0° | 109.5° |
| C24 | C23 | H27 | 109.0° | 109.5° |
| C23 | C24 | H28 | 108.9° | 109.5° |
| C23 | C24 | H29 | 108.9° | 109.5° |
| C5 | C32 | C33 | 110.8° | 109.4° |
| C32 | C5 | O2 | 120.7° | 120.0° |
| C32 | C5 | N4 | 120.0° | 120.0° |
| C5 | C32 | H37 | 109.1° | 109.4° |
| C5 | C32 | H38 | 109.1° | 109.5° |
| C33 | C32 | H37 | 109.2° | 109.5° |
| C33 | C32 | H38 | 109.2° | 109.5° |
| C32 | C33 | H39 | 109.5° | 109.5° |
| C32 | C33 | H40 | 109.5° | 109.5° |
| C32 | C33 | H41 | 109.5° | 109.5° |
| C9 | C8 | C7 | 104.4° | 101.8° |
| C8 | C9 | N2 | 105.4° | 105.5° |
| C9 | C8 | H45 | 110.7° | 111.0° |
| C9 | C8 | H46 | 110.7° | 111.0° |
| C8 | C9 | H47 | 110.5° | 110.3° |
| C8 | C9 | H48 | 110.5° | 110.2° |
| C8 | C7 | C6 | 116.3° | 110.5° |
| C8 | C7 | C10 | 103.0° | 104.2° |
| C8 | C7 | H44 | 109.4° | 110.6° |
| C7 | C8 | H45 | 110.7° | 110.7° |
| C7 | C8 | H46 | 110.7° | 111.2° |
| C9 | N2 | C10 | 111.9° | 111.3° |
| N2 | C9 | H47 | 110.5° | 110.4° |
| N2 | C9 | H48 | 110.5° | 110.1° |
| C9 | N2 | H50 | 124.0° | 124.3° |
| O5 | C16 | H10 | 109.7° | 109.4° |
| O5 | C16 | H11 | 109.7° | 109.5° |
| C25 | C24 | H28 | 108.9° | 109.4° |
| C25 | C24 | H29 | 108.9° | 109.5° |
| C24 | C25 | H30 | 108.9° | 109.5° |
| C24 | C25 | H31 | 108.8° | 109.5° |
| O2 | C5 | N4 | 119.2° | 120.0° |
| C5 | N4 | N1 | 122.2° | 120.0° |
| C5 | N4 | C6 | 116.2° | 120.0° |
| N1 | N4 | C6 | 121.4° | 120.0° |
| N4 | N1 | H49 | 119.5° | 120.0° |
| N4 | C6 | C7 | 113.8° | 109.5° |
| N4 | C6 | H42 | 108.4° | 109.5° |
| N4 | C6 | H43 | 108.4° | 109.5° |
| C6 | C7 | C10 | 108.5° | 110.5° |
| C7 | C6 | H42 | 108.4° | 109.4° |
| C7 | C6 | H43 | 108.4° | 109.4° |
| C6 | C7 | H44 | 109.6° | 110.4° |
| C7 | C10 | N2 | 110.9° | 110.1° |
| C7 | C10 | O3 | 122.9° | 124.9° |
| C10 | C7 | H44 | 109.7° | 110.5° |
| N2 | C10 | O3 | 126.2° | 124.9° |
| C10 | N2 | H50 | 124.0° | 124.4° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.4° | 109.5° |
| H12 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H19 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.4° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H37 | C32 | H38 | 109.5° | 109.5° |
| H39 | C33 | H40 | 109.5° | 109.5° |
| H39 | C33 | H41 | 109.5° | 109.4° |
| H40 | C33 | H41 | 109.5° | 109.4° |
| H42 | C6 | H43 | 109.4° | 109.5° |
| H45 | C8 | H46 | 109.5° | 110.9° |
| H47 | C9 | H48 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C19 | O4 | 117.6° | 120.0° |
| C18 | C17 | C19 | C20 | 119.8° | 120.0° |
| C18 | C17 | O4 | C20 | 118.8° | 120.0° |
| C18 | C17 | O4 | C13 | 160.1° | 63.6° |
| C17 | C18 | H12 | H13 | 120.0° | 120.0° |
| C17 | C18 | H12 | H14 | 120.0° | 120.0° |
| C17 | C18 | H13 | H14 | 120.0° | 120.0° |
| C18 | C17 | C19 | H15 | 180.0° | 180.0° |
| C18 | C17 | C19 | H16 | 60.0° | 60.0° |
| C18 | C17 | C19 | H17 | 60.0° | 60.0° |
| C18 | C17 | C20 | H19 | 180.0° | 54.5° |
| C18 | C17 | C20 | H20 | 60.0° | 174.5° |
| C18 | C17 | C20 | H21 | 60.0° | 65.5° |
| C29 | C28 | C27 | H33 | 180.0° | 179.9° |
| C28 | C29 | C30 | H34 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.5° | 0.1° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C29 | C28 | C27 | H32 | 179.5° | 180.0° |
| C28 | C29 | C30 | H35 | 179.3° | 180.0° |
| C27 | C28 | C29 | C30 | 0.7° | 0.1° |
| C28 | C27 | C26 | H32 | 180.0° | 179.9° |
| C28 | C27 | C26 | C31 | 0.3° | 0.1° |
| C28 | C27 | C26 | C16 | 179.8° | 179.8° |
| C27 | C28 | C29 | H34 | 179.3° | 179.9° |
| C29 | C30 | C31 | H35 | 180.0° | 179.9° |
| C29 | C30 | C31 | C26 | 0.5° | 0.1° |
| C30 | C29 | C28 | H33 | 179.3° | 180.0° |
| C29 | C30 | C31 | H36 | 179.5° | 179.7° |
| C19 | C17 | O4 | C20 | 122.6° | 120.0° |
| C19 | C17 | O4 | C13 | 81.3° | 176.4° |
| C19 | C17 | C18 | H12 | 180.0° | 53.3° |
| C19 | C17 | C18 | H13 | 60.0° | 66.7° |
| C19 | C17 | C18 | H14 | 60.0° | 173.3° |
| C17 | C19 | H15 | H16 | 120.0° | 120.0° |
| C17 | C19 | H15 | H17 | 120.0° | 120.0° |
| C17 | C19 | H16 | H17 | 120.0° | 120.0° |
| C19 | C17 | C20 | H19 | 60.3° | 174.5° |
| C19 | C17 | C20 | H20 | 59.7° | 65.4° |
| C19 | C17 | C20 | H21 | 179.7° | 54.5° |
| C17 | O4 | C13 | C14 | 104.1° | 100.4° |
| C17 | O4 | C13 | C | 130.9° | 139.5° |
| C17 | O4 | C13 | H6 | 14.1° | 19.5° |
| O4 | C17 | C18 | H12 | 60.4° | 173.3° |
| O4 | C17 | C18 | H13 | 179.6° | 53.3° |
| O4 | C17 | C18 | H14 | 59.6° | 66.7° |
| O4 | C17 | C19 | H15 | 62.4° | 60.0° |
| O4 | C17 | C19 | H16 | 57.6° | 60.0° |
| O4 | C17 | C19 | H17 | 177.6° | 180.0° |
| O4 | C17 | C20 | H19 | 62.3° | 65.5° |
| O4 | C17 | C20 | H20 | 177.7° | 54.6° |
| O4 | C17 | C20 | H21 | 57.7° | 174.5° |
| C13 | O4 | C17 | C20 | 41.2° | 56.3° |
| O4 | C13 | C14 | C | 122.2° | 120.0° |
| O4 | C13 | C14 | H6 | 119.0° | 119.9° |
| O4 | C13 | C | H6 | 117.6° | 120.0° |
| O4 | C13 | C | C1 | 155.0° | 59.2° |
| O4 | C13 | C | N3 | 83.6° | 60.8° |
| O4 | C13 | C | H2 | 35.1° | 179.2° |
| O4 | C13 | C14 | H7 | 180.0° | 54.0° |
| O4 | C13 | C14 | H8 | 60.0° | 66.0° |
| O4 | C13 | C14 | H9 | 60.0° | 174.0° |
| C20 | C17 | C18 | H12 | 59.4° | 66.8° |
| C20 | C17 | C18 | H13 | 60.6° | 173.2° |
| C20 | C17 | C18 | H14 | 179.4° | 53.3° |
| C20 | C17 | C19 | H15 | 60.2° | 60.0° |
| C20 | C17 | C19 | H16 | 179.8° | 180.0° |
| C20 | C17 | C19 | H17 | 59.8° | 60.1° |
| C17 | C20 | H19 | H20 | 120.0° | 120.1° |
| C17 | C20 | H19 | H21 | 120.0° | 120.0° |
| C17 | C20 | H20 | H21 | 120.0° | 119.9° |
| C27 | C26 | C31 | C30 | 0.3° | 0.0° |
| C27 | C26 | C31 | C16 | 179.9° | 179.7° |
| C27 | C26 | C16 | O5 | 101.9° | 89.7° |
| C27 | C26 | C16 | H10 | 138.2° | 30.3° |
| C27 | C26 | C16 | H11 | 18.0° | 150.3° |
| C26 | C27 | C28 | H33 | 179.5° | 180.0° |
| C27 | C26 | C31 | H36 | 179.7° | 179.7° |
| C22 | C21 | C12 | H22 | 120.4° | 119.9° |
| C22 | C21 | C12 | H23 | 120.4° | 120.0° |
| C21 | C22 | C23 | H24 | 120.1° | 120.0° |
| C21 | C22 | C23 | H25 | 120.1° | 120.0° |
| C22 | C21 | C12 | C11 | 165.6° | 180.0° |
| C22 | C21 | C12 | C25 | 68.6° | 60.0° |
| C21 | C22 | C23 | C24 | 22.3° | 60.0° |
| C22 | C21 | C12 | H5 | 48.0° | 60.1° |
| C22 | C21 | H22 | H23 | 118.8° | 120.0° |
| C21 | C22 | H24 | H25 | 119.8° | 120.0° |
| C21 | C22 | C23 | H26 | 142.5° | 60.0° |
| C21 | C22 | C23 | H27 | 98.0° | 180.0° |
| C12 | C21 | C22 | C23 | 41.5° | 60.0° |
| C21 | C12 | C11 | C25 | 121.8° | 120.0° |
| C21 | C12 | C11 | H5 | 117.7° | 119.9° |
| C21 | C12 | C11 | C2 | 123.2° | 65.0° |
| C21 | C12 | C25 | H5 | 116.7° | 120.0° |
| C21 | C12 | C25 | C24 | 26.7° | 60.0° |
| C21 | C12 | C11 | H3 | 115.8° | 55.0° |
| C21 | C12 | C11 | H4 | 2.2° | 175.0° |
| C12 | C21 | H22 | H23 | 118.8° | 120.1° |
| C12 | C21 | C22 | H24 | 161.6° | 180.0° |
| C12 | C21 | C22 | H25 | 78.5° | 60.0° |
| C21 | C12 | C25 | H30 | 147.1° | 180.0° |
| C21 | C12 | C25 | H31 | 93.7° | 60.0° |
| O6 | C15 | N3 | C | 2.1° | 5.2° |
| O6 | C15 | N3 | O5 | 179.5° | 179.9° |
| O6 | C15 | O5 | C16 | 4.3° | 0.0° |
| O6 | C15 | N3 | H51 | 177.9° | 174.9° |
| C14 | C13 | C | H6 | 118.9° | 120.0° |
| C14 | C13 | C | C1 | 31.4° | 179.3° |
| C14 | C13 | C | N3 | 152.8° | 59.3° |
| C14 | C13 | C | H2 | 88.5° | 60.8° |
| C13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C13 | C14 | H7 | H9 | 120.0° | 120.0° |
| C13 | C14 | H8 | H9 | 120.0° | 119.9° |
| C22 | C23 | C24 | H26 | 120.3° | 120.0° |
| C22 | C23 | C24 | H27 | 120.3° | 120.0° |
| C22 | C23 | C24 | C25 | 62.6° | 60.0° |
| C23 | C22 | C21 | H22 | 161.9° | 60.0° |
| C23 | C22 | C21 | H23 | 78.8° | 180.0° |
| C23 | C22 | H24 | H25 | 119.8° | 120.0° |
| C22 | C23 | H26 | H27 | 119.2° | 120.0° |
| C22 | C23 | C24 | H28 | 57.7° | 180.0° |
| C22 | C23 | C24 | H29 | 177.0° | 60.0° |
| C30 | C31 | C26 | H36 | 180.0° | 179.7° |
| C30 | C31 | C26 | C16 | 179.8° | 179.7° |
| C31 | C30 | C29 | H34 | 179.3° | 179.9° |
| C13 | C | C1 | N3 | 120.8° | 120.0° |
| C13 | C | C1 | H2 | 119.7° | 120.0° |
| C13 | C | N3 | H2 | 118.0° | 120.0° |
| C13 | C | C1 | N | 113.2° | 74.8° |
| C13 | C | N3 | C15 | 124.8° | 94.5° |
| C13 | C | C1 | O | 67.5° | 105.2° |
| C | C13 | C14 | H7 | 57.8° | 66.0° |
| C | C13 | C14 | H8 | 62.2° | 173.9° |
| C | C13 | C14 | H9 | 177.8° | 54.0° |
| C13 | C | N3 | H51 | 55.1° | 85.4° |
| C12 | C11 | C2 | H3 | 121.0° | 120.0° |
| C12 | C11 | C2 | H4 | 121.0° | 120.0° |
| C12 | C11 | C2 | N | 103.2° | 65.0° |
| C11 | C12 | C25 | H5 | 120.5° | 120.0° |
| C12 | C11 | C2 | C3 | 136.5° | 175.0° |
| C11 | C12 | C25 | C24 | 149.5° | 180.0° |
| C12 | C11 | H3 | H4 | 116.9° | 120.0° |
| C12 | C11 | C2 | H18 | 16.3° | 55.1° |
| C11 | C12 | C21 | H22 | 45.2° | 60.1° |
| C11 | C12 | C21 | H23 | 74.0° | 60.0° |
| C11 | C12 | C25 | H30 | 90.1° | 60.0° |
| C11 | C12 | C25 | H31 | 29.1° | 60.0° |
| C11 | C2 | C3 | O1 | 80.7° | 120.0° |
| C11 | C2 | N | C3 | 123.2° | 120.0° |
| C11 | C2 | N | H18 | 118.9° | 120.0° |
| C11 | C2 | N | C1 | 167.8° | 85.0° |
| C2 | C11 | C12 | C25 | 1.4° | 175.0° |
| C11 | C2 | C3 | H18 | 120.0° | 119.9° |
| C11 | C2 | C3 | N1 | 101.1° | 59.9° |
| C11 | C2 | N | H1 | 12.2° | 94.8° |
| C2 | C11 | H3 | H4 | 117.0° | 119.9° |
| C2 | C11 | C12 | H5 | 119.1° | 54.9° |
| O1 | C3 | C2 | N | 40.8° | 0.1° |
| O1 | C3 | C2 | N1 | 178.2° | 179.9° |
| O1 | C3 | N1 | N4 | 5.1° | 0.1° |
| O1 | C3 | C2 | H18 | 159.3° | 120.1° |
| O1 | C3 | N1 | H49 | 175.0° | 180.0° |
| C1 | C | N3 | H2 | 119.1° | 120.0° |
| C | C1 | N | C2 | 176.6° | 175.8° |
| C | C1 | N | O | 179.3° | 179.9° |
| C1 | C | N3 | C15 | 112.3° | 145.5° |
| C | C1 | N | H1 | 3.5° | 4.4° |
| C1 | C | C13 | H6 | 87.5° | 60.7° |
| C1 | C | N3 | H51 | 67.7° | 34.5° |
| N3 | C | C1 | N | 126.0° | 165.2° |
| C | N3 | C15 | H51 | 180.0° | 180.0° |
| C | N3 | C15 | O5 | 178.4° | 174.9° |
| N3 | C | C1 | O | 53.3° | 14.7° |
| N3 | C | C13 | H6 | 33.9° | 179.3° |
| C2 | N | C1 | H1 | 180.0° | 179.8° |
| N | C2 | C3 | H18 | 118.5° | 120.0° |
| C2 | N | C1 | O | 2.7° | 4.2° |
| N | C2 | C3 | N1 | 137.4° | 179.9° |
| N | C2 | C11 | H3 | 135.8° | 175.0° |
| N | C2 | C11 | H4 | 17.7° | 55.0° |
| C1 | N | C2 | C3 | 69.0° | 154.9° |
| N | C1 | C | H2 | 6.5° | 45.2° |
| C1 | N | C2 | H18 | 48.9° | 35.0° |
| C31 | C26 | C16 | O5 | 78.0° | 90.0° |
| C31 | C26 | C16 | H10 | 41.9° | 150.0° |
| C31 | C26 | C16 | H11 | 162.2° | 30.0° |
| C31 | C26 | C27 | H32 | 179.7° | 180.0° |
| C26 | C31 | C30 | H35 | 179.4° | 180.0° |
| C26 | C16 | O5 | C15 | 79.6° | 180.0° |
| C26 | C16 | O5 | H10 | 119.9° | 120.0° |
| C26 | C16 | O5 | H11 | 119.9° | 120.0° |
| C26 | C16 | H10 | H11 | 120.3° | 120.0° |
| C16 | C26 | C27 | H32 | 0.2° | 0.3° |
| C16 | C26 | C31 | H36 | 0.2° | 0.0° |
| C12 | C25 | C24 | C23 | 34.9° | 60.0° |
| C12 | C25 | C24 | H30 | 120.4° | 120.0° |
| C12 | C25 | C24 | H31 | 120.4° | 120.0° |
| C25 | C12 | C11 | H3 | 122.4° | 65.0° |
| C25 | C12 | C11 | H4 | 119.5° | 55.0° |
| C25 | C12 | C21 | H22 | 171.0° | 60.0° |
| C25 | C12 | C21 | H23 | 51.8° | 180.0° |
| C12 | C25 | C24 | H28 | 85.4° | 180.0° |
| C12 | C25 | C24 | H29 | 155.3° | 60.0° |
| C12 | C25 | H30 | H31 | 118.8° | 120.0° |
| N3 | C15 | O5 | C16 | 176.2° | 180.0° |
| C15 | N3 | C | H2 | 6.8° | 25.5° |
| C15 | O5 | C16 | H10 | 160.5° | 60.0° |
| C15 | O5 | C16 | H11 | 40.3° | 60.0° |
| O5 | C15 | N3 | H51 | 1.6° | 5.0° |
| C2 | C3 | N1 | N4 | 176.8° | 180.0° |
| C3 | C2 | N | H1 | 111.0° | 25.3° |
| C3 | C2 | C11 | H3 | 15.5° | 55.0° |
| C3 | C2 | C11 | H4 | 102.5° | 65.0° |
| C2 | C3 | N1 | H49 | 3.2° | 0.1° |
| O | C1 | N | H1 | 177.3° | 175.5° |
| O | C1 | C | H2 | 172.8° | 134.8° |
| C3 | N1 | N4 | C5 | 83.7° | 79.4° |
| C3 | N1 | N4 | H49 | 180.0° | 179.9° |
| C3 | N1 | N4 | C6 | 102.4° | 100.6° |
| N1 | C3 | C2 | H18 | 18.9° | 60.0° |
| C23 | C24 | C25 | H28 | 120.4° | 120.0° |
| C23 | C24 | C25 | H29 | 120.4° | 120.0° |
| C24 | C23 | C22 | H24 | 97.8° | 180.0° |
| C24 | C23 | C22 | H25 | 142.3° | 60.0° |
| C24 | C23 | H26 | H27 | 119.2° | 120.0° |
| C23 | C24 | H28 | H29 | 118.9° | 120.0° |
| C23 | C24 | C25 | H30 | 85.4° | 180.0° |
| C23 | C24 | C25 | H31 | 155.3° | 59.9° |
| C5 | C32 | C33 | H37 | 120.2° | 120.0° |
| C5 | C32 | C33 | H38 | 120.2° | 120.0° |
| C32 | C5 | O2 | N4 | 177.2° | 179.9° |
| C32 | C5 | N4 | N1 | 6.0° | 5.1° |
| C32 | C5 | N4 | C6 | 179.8° | 174.9° |
| C5 | C32 | H37 | H38 | 119.4° | 120.0° |
| C5 | C32 | C33 | H39 | 180.0° | 179.9° |
| C5 | C32 | C33 | H40 | 60.0° | 60.0° |
| C5 | C32 | C33 | H41 | 60.0° | 60.0° |
| C33 | C32 | C5 | O2 | 99.6° | 0.0° |
| C33 | C32 | C5 | N4 | 77.6° | 180.0° |
| C33 | C32 | H37 | H38 | 119.5° | 120.0° |
| C32 | C33 | H39 | H40 | 120.0° | 120.1° |
| C32 | C33 | H39 | H41 | 120.0° | 120.0° |
| C32 | C33 | H40 | H41 | 120.0° | 120.0° |
| C9 | C8 | C7 | H45 | 119.2° | 118.0° |
| C9 | C8 | C7 | H46 | 119.2° | 118.2° |
| C8 | C9 | N2 | H47 | 119.4° | 119.1° |
| C8 | C9 | N2 | H48 | 119.4° | 119.0° |
| C9 | C8 | C7 | C6 | 139.0° | 143.5° |
| C9 | C8 | C7 | C10 | 20.5° | 24.8° |
| C8 | C9 | N2 | C10 | 5.5° | 16.7° |
| C9 | C8 | C7 | H44 | 96.2° | 93.9° |
| C9 | C8 | H45 | H46 | 122.4° | 123.8° |
| C8 | C9 | H47 | H48 | 121.9° | 121.9° |
| C8 | C9 | N2 | H50 | 174.5° | 163.0° |
| C7 | C8 | C9 | N2 | 16.5° | 25.2° |
| C8 | C7 | C6 | N4 | 62.6° | 178.9° |
| C8 | C7 | C6 | C10 | 115.5° | 114.8° |
| C8 | C7 | C6 | H44 | 124.7° | 122.7° |
| C8 | C7 | C10 | H44 | 116.4° | 118.8° |
| C8 | C7 | C10 | N2 | 18.5° | 16.5° |
| C8 | C7 | C10 | O3 | 161.4° | 163.8° |
| C8 | C7 | C6 | H42 | 176.7° | 58.9° |
| C8 | C7 | C6 | H43 | 58.0° | 61.1° |
| C7 | C8 | H45 | H46 | 122.4° | 123.9° |
| C7 | C8 | C9 | H47 | 135.8° | 144.4° |
| C7 | C8 | C9 | H48 | 102.9° | 93.6° |
| C9 | N2 | C10 | C7 | 8.4° | 0.1° |
| C9 | N2 | C10 | H50 | 180.0° | 179.7° |
| C9 | N2 | C10 | O3 | 171.5° | 179.7° |
| N2 | C9 | C8 | H45 | 135.7° | 92.6° |
| N2 | C9 | C8 | H46 | 102.6° | 143.6° |
| N2 | C9 | H47 | H48 | 121.9° | 121.8° |
| O5 | C16 | H10 | H11 | 120.4° | 120.0° |
| C24 | C25 | C12 | H5 | 90.0° | 60.0° |
| C25 | C24 | C23 | H26 | 177.1° | 60.0° |
| C25 | C24 | C23 | H27 | 57.6° | 180.0° |
| C25 | C24 | H28 | H29 | 118.9° | 120.0° |
| C24 | C25 | H30 | H31 | 118.9° | 120.0° |
| O2 | C5 | N4 | N1 | 171.2° | 175.0° |
| O2 | C5 | N4 | C6 | 3.0° | 5.0° |
| O2 | C5 | C32 | H37 | 140.2° | 120.0° |
| O2 | C5 | C32 | H38 | 20.6° | 120.0° |
| C5 | N4 | N1 | C6 | 173.9° | 180.0° |
| C5 | N4 | C6 | C7 | 122.2° | 83.5° |
| N4 | C5 | C32 | H37 | 42.6° | 60.0° |
| N4 | C5 | C32 | H38 | 162.2° | 60.0° |
| C5 | N4 | C6 | H42 | 117.1° | 36.4° |
| C5 | N4 | C6 | H43 | 1.6° | 156.5° |
| C5 | N4 | N1 | H49 | 96.3° | 100.5° |
| N1 | N4 | C6 | C7 | 63.5° | 96.5° |
| N1 | N4 | C6 | H42 | 57.1° | 143.5° |
| N1 | N4 | C6 | H43 | 175.8° | 23.5° |
| N4 | C6 | C7 | H42 | 120.7° | 120.0° |
| N4 | C6 | C7 | H43 | 120.6° | 120.0° |
| N4 | C6 | C7 | C10 | 178.1° | 66.3° |
| N4 | C6 | H42 | H43 | 118.0° | 120.0° |
| N4 | C6 | C7 | H44 | 62.1° | 56.2° |
| C6 | N4 | N1 | H49 | 77.6° | 79.5° |
| C6 | C7 | C10 | H44 | 119.7° | 122.5° |
| C6 | C7 | C10 | N2 | 142.3° | 135.2° |
| C6 | C7 | C10 | O3 | 37.5° | 45.1° |
| C7 | C6 | H42 | H43 | 118.0° | 120.0° |
| C6 | C7 | C8 | H45 | 101.8° | 25.5° |
| C6 | C7 | C8 | H46 | 19.9° | 98.3° |
| C7 | C10 | N2 | O3 | 179.9° | 179.8° |
| C10 | C7 | C6 | H42 | 61.2° | 173.7° |
| C10 | C7 | C6 | H43 | 57.5° | 53.7° |
| C10 | C7 | C8 | H45 | 139.7° | 93.2° |
| C10 | C7 | C8 | H46 | 98.7° | 143.0° |
| C7 | C10 | N2 | H50 | 171.6° | 179.6° |
| N2 | C10 | C7 | H44 | 97.9° | 102.4° |
| C10 | N2 | C9 | H47 | 124.9° | 135.8° |
| C10 | N2 | C9 | H48 | 113.8° | 102.3° |
| O3 | C10 | C7 | H44 | 82.2° | 77.4° |
| O3 | C10 | N2 | H50 | 8.5° | 0.6° |
| H1 | N | C2 | H18 | 131.1° | 145.2° |
| H2 | C | C13 | H6 | 152.7° | 59.3° |
| H2 | C | N3 | H51 | 173.2° | 154.6° |
| H3 | C11 | C12 | H5 | 1.9° | 174.9° |
| H3 | C11 | C2 | H18 | 104.6° | 65.0° |
| H4 | C11 | C12 | H5 | 120.0° | 65.0° |
| H4 | C11 | C2 | H18 | 137.3° | 175.1° |
| H5 | C12 | C21 | H22 | 72.4° | 180.0° |
| H5 | C12 | C21 | H23 | 168.4° | 59.9° |
| H5 | C12 | C25 | H30 | 30.4° | 60.0° |
| H5 | C12 | C25 | H31 | 149.6° | 180.0° |
| H6 | C13 | C14 | H7 | 61.0° | 173.9° |
| H6 | C13 | C14 | H8 | 178.9° | 53.9° |
| H6 | C13 | C14 | H9 | 59.0° | 66.1° |
| H7 | C14 | H8 | H9 | 120.0° | 120.1° |
| H12 | C18 | H13 | H14 | 120.0° | 120.0° |
| H15 | C19 | H16 | H17 | 120.0° | 120.0° |
| H19 | C20 | H20 | H21 | 120.0° | 120.0° |
| H22 | C21 | C22 | H24 | 78.0° | 60.0° |
| H22 | C21 | C22 | H25 | 41.9° | 180.0° |
| H23 | C21 | C22 | H24 | 41.2° | 60.0° |
| H23 | C21 | C22 | H25 | 161.1° | 60.0° |
| H24 | C22 | C23 | H26 | 22.5° | 60.0° |
| H24 | C22 | C23 | H27 | 141.9° | 59.9° |
| H25 | C22 | C23 | H26 | 97.4° | 179.9° |
| H25 | C22 | C23 | H27 | 22.1° | 60.0° |
| H26 | C23 | C24 | H28 | 62.5° | 60.0° |
| H26 | C23 | C24 | H29 | 56.7° | 179.9° |
| H27 | C23 | C24 | H28 | 178.0° | 60.0° |
| H27 | C23 | C24 | H29 | 62.7° | 60.0° |
| H28 | C24 | C25 | H30 | 154.2° | 60.0° |
| H28 | C24 | C25 | H31 | 34.9° | 60.0° |
| H29 | C24 | C25 | H30 | 34.9° | 60.0° |
| H29 | C24 | C25 | H31 | 84.3° | 180.0° |
| H32 | C27 | C28 | H33 | 0.5° | 0.1° |
| H33 | C28 | C29 | H34 | 0.7° | 0.1° |
| H34 | C29 | C30 | H35 | 0.7° | 0.1° |
| H35 | C30 | C31 | H36 | 0.5° | 0.3° |
| H37 | C32 | C33 | H39 | 59.8° | 60.1° |
| H37 | C32 | C33 | H40 | 179.8° | 59.9° |
| H37 | C32 | C33 | H41 | 60.2° | 179.9° |
| H38 | C32 | C33 | H39 | 59.8° | 60.0° |
| H38 | C32 | C33 | H40 | 60.2° | 180.0° |
| H38 | C32 | C33 | H41 | 179.8° | 60.0° |
| H39 | C33 | H40 | H41 | 120.0° | 119.9° |
| H42 | C6 | C7 | H44 | 58.6° | 63.8° |
| H43 | C6 | C7 | H44 | 177.3° | 176.2° |
| H44 | C7 | C8 | H45 | 23.0° | 148.0° |
| H44 | C7 | C8 | H46 | 144.7° | 24.3° |
| H45 | C8 | C9 | H47 | 105.0° | 26.6° |
| H45 | C8 | C9 | H48 | 16.3° | 148.5° |
| H46 | C8 | C9 | H47 | 16.7° | 97.2° |
| H46 | C8 | C9 | H48 | 138.0° | 24.7° |
| H47 | C9 | N2 | H50 | 55.1° | 43.9° |
| H48 | C9 | N2 | H50 | 66.2° | 78.0° |
