F3J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C13 | sing | 1.36Å | 1.38Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.48Å | Aromatic |
| N4 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| N5 | C14 | sing | 1.39Å | 1.37Å | |
| N5 | C17 | sing | 1.39Å | 1.36Å | |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | N7 | sing | 1.47Å | 1.48Å | |
| C | N7 | sing | 1.47Å | 1.48Å | |
| C | C4 | sing | 1.53Å | 1.53Å | |
| C28 | N1 | sing | 1.47Å | 1.47Å | |
| C11 | C6 | sing | 1.48Å | 1.51Å | |
| C11 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | N1 | sing | 1.39Å | 1.40Å | |
| C19 | C20 | doub | 1.40Å | 1.48Å | Aromatic |
| C2 | N6 | sing | 1.47Å | 1.47Å | |
| C3 | N6 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C35 | N8 | sing | 1.47Å | 1.47Å | |
| N6 | C6 | sing | 1.35Å | 1.33Å | |
| N7 | C30 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | O3 | doub | 1.22Å | 1.22Å | |
| N3 | C20 | sing | 1.33Å | 1.35Å | Aromatic |
| N8 | C37 | sing | 1.47Å | 1.47Å | |
| N8 | C33 | sing | 1.47Å | 1.48Å | |
| N1 | C27 | sing | 1.33Å | 1.33Å | |
| C30 | C33 | sing | 1.53Å | 1.53Å | |
| C20 | N2 | sing | 1.39Å | 1.39Å | |
| C27 | O1 | doub | 1.22Å | 1.22Å | |
| C27 | C26 | sing | 1.47Å | 1.50Å | |
| N2 | C21 | sing | 1.39Å | 1.41Å | |
| N2 | C29 | sing | 1.46Å | 1.47Å | |
| C26 | C21 | doub | 1.40Å | 1.49Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C29 | sing | 1.54Å | 1.53Å | |
| C31 | C32 | sing | 1.54Å | 1.53Å | |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C7 | sing | 1.54Å | 1.53Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C7 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O2 | C13 | 121.7° | 117.0° |
| O2 | C5 | H9 | 109.5° | 109.5° |
| O2 | C5 | H10 | 109.5° | 109.5° |
| O2 | C5 | H11 | 109.5° | 109.4° |
| O2 | C13 | C12 | 122.8° | 120.0° |
| O2 | C13 | C14 | 117.2° | 120.1° |
| C12 | C13 | C14 | 120.0° | 119.9° |
| C13 | C12 | C11 | 120.4° | 119.9° |
| C13 | C12 | H14 | 119.8° | 120.0° |
| C13 | C14 | N5 | 115.7° | 119.9° |
| C13 | C14 | C15 | 118.3° | 120.2° |
| C18 | N4 | C17 | 123.2° | 121.0° |
| N4 | C18 | C19 | 119.8° | 119.2° |
| N4 | C18 | H17 | 120.1° | 120.4° |
| N4 | C17 | N5 | 119.8° | 119.2° |
| N4 | C17 | N3 | 120.0° | 121.7° |
| C14 | N5 | C17 | 129.7° | 120.0° |
| N5 | C14 | C15 | 126.0° | 119.9° |
| C14 | N5 | H26 | 115.2° | 120.0° |
| N5 | C17 | N3 | 120.2° | 119.2° |
| C17 | N5 | H26 | 115.2° | 120.0° |
| C12 | C11 | C6 | 119.4° | 120.1° |
| C12 | C11 | C16 | 119.6° | 119.9° |
| C11 | C12 | H14 | 119.8° | 120.0° |
| C18 | C19 | N1 | 118.1° | 119.9° |
| C18 | C19 | C20 | 115.9° | 118.3° |
| C19 | C18 | H17 | 120.1° | 120.4° |
| C14 | C15 | C16 | 119.9° | 120.1° |
| C14 | C15 | H15 | 120.1° | 119.9° |
| C17 | N3 | C20 | 121.5° | 120.6° |
| C | C1 | C2 | 111.6° | 109.4° |
| C1 | C | N7 | 111.7° | 109.5° |
| C1 | C | C4 | 107.6° | 109.5° |
| C | C1 | H1 | 108.9° | 109.5° |
| C | C1 | H2 | 109.0° | 109.5° |
| C1 | C | H27 | 108.7° | 109.4° |
| C1 | C2 | N6 | 109.4° | 108.8° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.7° |
| C1 | C2 | H4 | 109.5° | 109.6° |
| C35 | C36 | N7 | 110.0° | 109.3° |
| C36 | C35 | N8 | 110.0° | 109.4° |
| C36 | C35 | H38 | 109.3° | 109.5° |
| C36 | C35 | H39 | 109.3° | 109.4° |
| C35 | C36 | H40 | 109.4° | 109.5° |
| C35 | C36 | H41 | 109.3° | 109.5° |
| C36 | N7 | C | 111.6° | 111.0° |
| C36 | N7 | C30 | 108.1° | 110.9° |
| N7 | C36 | H40 | 109.3° | 109.4° |
| N7 | C36 | H41 | 109.4° | 109.5° |
| N7 | C | C4 | 110.7° | 109.5° |
| C | N7 | C30 | 110.1° | 111.0° |
| N7 | C | H27 | 109.3° | 109.4° |
| C | C4 | C3 | 111.6° | 109.3° |
| C | C4 | H7 | 108.9° | 109.5° |
| C | C4 | H8 | 108.9° | 109.5° |
| C4 | C | H27 | 108.7° | 109.5° |
| C28 | N1 | C19 | 114.7° | 116.7° |
| C28 | N1 | C27 | 120.6° | 116.6° |
| N1 | C28 | H20 | 109.5° | 109.5° |
| N1 | C28 | H21 | 109.4° | 109.5° |
| N1 | C28 | H22 | 109.5° | 109.4° |
| C6 | C11 | C16 | 121.0° | 120.0° |
| C11 | C6 | N6 | 119.9° | 120.0° |
| C11 | C6 | O3 | 119.8° | 120.0° |
| C11 | C16 | C15 | 121.7° | 120.0° |
| C11 | C16 | H16 | 119.1° | 120.0° |
| N1 | C19 | C20 | 125.9° | 121.8° |
| C19 | N1 | C27 | 124.7° | 126.7° |
| C19 | C20 | N3 | 119.5° | 119.2° |
| C19 | C20 | N2 | 126.3° | 121.0° |
| C2 | N6 | C3 | 116.0° | 118.7° |
| C2 | N6 | C6 | 121.4° | 120.6° |
| N6 | C2 | H3 | 109.5° | 109.5° |
| N6 | C2 | H4 | 109.5° | 109.6° |
| N6 | C3 | C4 | 106.0° | 108.8° |
| C3 | N6 | C6 | 122.6° | 120.6° |
| N6 | C3 | H5 | 110.4° | 109.6° |
| N6 | C3 | H6 | 110.3° | 109.6° |
| C4 | C3 | H5 | 110.3° | 109.6° |
| C4 | C3 | H6 | 110.4° | 109.6° |
| C3 | C4 | H7 | 108.9° | 109.5° |
| C3 | C4 | H8 | 109.0° | 109.5° |
| C35 | N8 | C37 | 110.1° | 111.0° |
| C35 | N8 | C33 | 110.2° | 110.9° |
| N8 | C35 | H38 | 109.4° | 109.5° |
| N8 | C35 | H39 | 109.4° | 109.5° |
| N6 | C6 | O3 | 120.3° | 120.0° |
| N7 | C30 | C33 | 110.2° | 109.4° |
| N7 | C30 | H33 | 109.3° | 109.5° |
| N7 | C30 | H34 | 109.3° | 109.5° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | H16 | 119.1° | 120.0° |
| N3 | C20 | N2 | 113.9° | 119.8° |
| C37 | N8 | C33 | 109.3° | 111.0° |
| N8 | C37 | H42 | 109.5° | 109.5° |
| N8 | C37 | H43 | 109.5° | 109.5° |
| N8 | C37 | H44 | 109.4° | 109.5° |
| N8 | C33 | C30 | 110.0° | 109.4° |
| N8 | C33 | H35 | 109.3° | 109.5° |
| N8 | C33 | H36 | 109.3° | 109.6° |
| N1 | C27 | O1 | 119.7° | 117.1° |
| N1 | C27 | C26 | 124.4° | 125.8° |
| C33 | C30 | H33 | 109.3° | 109.5° |
| C33 | C30 | H34 | 109.3° | 109.5° |
| C30 | C33 | H35 | 109.3° | 109.5° |
| C30 | C33 | H36 | 109.3° | 109.5° |
| C20 | N2 | C21 | 115.2° | 119.0° |
| C20 | N2 | C29 | 120.5° | 120.5° |
| O1 | C27 | C26 | 115.9° | 117.1° |
| C27 | C26 | C21 | 124.8° | 120.9° |
| C27 | C26 | C25 | 115.6° | 119.8° |
| C21 | N2 | C29 | 121.8° | 120.5° |
| N2 | C21 | C26 | 126.2° | 120.2° |
| N2 | C21 | C22 | 116.2° | 119.8° |
| N2 | C29 | C31 | 115.0° | 113.6° |
| N2 | C29 | C7 | 114.1° | 113.6° |
| N2 | C29 | H25 | 112.4° | 112.8° |
| C21 | C26 | C25 | 119.6° | 119.3° |
| C26 | C21 | C22 | 117.3° | 119.9° |
| C26 | C25 | C24 | 120.4° | 120.1° |
| C26 | C25 | H19 | 119.8° | 119.9° |
| C29 | C31 | C32 | 88.5° | 87.1° |
| C31 | C29 | C7 | 90.7° | 87.1° |
| C31 | C29 | H25 | 111.5° | 113.7° |
| C29 | C31 | H28 | 114.4° | 113.6° |
| C29 | C31 | H29 | 114.4° | 113.6° |
| C31 | C32 | C7 | 90.6° | 87.0° |
| C32 | C31 | H28 | 114.5° | 113.6° |
| C32 | C31 | H29 | 114.5° | 113.7° |
| C31 | C32 | H30 | 113.9° | 113.6° |
| C31 | C32 | H31 | 114.0° | 113.6° |
| C21 | C22 | C23 | 120.9° | 120.1° |
| C21 | C22 | H18 | 119.6° | 120.0° |
| C25 | C24 | C23 | 120.5° | 120.3° |
| C24 | C25 | H19 | 119.8° | 120.0° |
| C25 | C24 | H23 | 119.8° | 119.8° |
| C29 | C7 | C32 | 88.4° | 87.2° |
| C29 | C7 | H12 | 114.4° | 113.6° |
| C29 | C7 | H13 | 114.4° | 113.6° |
| C7 | C29 | H25 | 111.5° | 113.6° |
| C22 | C23 | C24 | 121.3° | 120.3° |
| C23 | C22 | H18 | 119.6° | 119.9° |
| C22 | C23 | H24 | 119.4° | 119.9° |
| C23 | C24 | H23 | 119.7° | 119.9° |
| C24 | C23 | H24 | 119.3° | 119.8° |
| C32 | C7 | H12 | 114.4° | 113.6° |
| C32 | C7 | H13 | 114.5° | 113.6° |
| C7 | C32 | H30 | 114.0° | 113.6° |
| C7 | C32 | H31 | 114.0° | 113.7° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C2 | H4 | 109.4° | 109.7° |
| H5 | C3 | H6 | 109.5° | 109.7° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H11 | 109.4° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 112.8° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H22 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.4° | 113.0° |
| H30 | C32 | H31 | 109.4° | 112.9° |
| H33 | C30 | H34 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.5° |
| H38 | C35 | H39 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.6° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H42 | C37 | H44 | 109.4° | 109.5° |
| H43 | C37 | H44 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | O2 | C13 | C12 | 0.5° | 0.1° |
| C5 | O2 | C13 | C14 | 179.6° | 180.0° |
| O2 | C5 | H9 | H10 | 120.0° | 120.0° |
| O2 | C5 | H9 | H11 | 120.0° | 120.0° |
| O2 | C5 | H10 | H11 | 120.0° | 119.9° |
| O2 | C13 | C12 | C14 | 179.9° | 179.9° |
| O2 | C13 | C14 | N5 | 1.4° | 0.0° |
| O2 | C13 | C12 | C11 | 179.7° | 179.9° |
| O2 | C13 | C14 | C15 | 179.3° | 180.0° |
| C13 | O2 | C5 | H9 | 180.0° | 180.0° |
| C13 | O2 | C5 | H10 | 60.0° | 60.0° |
| C13 | O2 | C5 | H11 | 60.0° | 60.0° |
| O2 | C13 | C12 | H14 | 0.3° | 0.1° |
| C12 | C13 | C14 | N5 | 178.5° | 180.0° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C12 | C11 | C6 | 179.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.0° | 0.3° |
| C13 | C14 | N5 | C15 | 177.7° | 180.0° |
| C13 | C14 | N5 | C17 | 146.2° | 154.9° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.2° |
| C14 | C13 | C12 | H14 | 179.5° | 180.0° |
| C13 | C14 | C15 | H15 | 178.8° | 180.0° |
| C13 | C14 | N5 | H26 | 33.8° | 25.0° |
| C18 | N4 | C17 | N5 | 179.6° | 179.4° |
| N4 | C18 | C19 | H17 | 180.0° | 179.9° |
| C18 | N4 | C17 | N3 | 2.0° | 0.9° |
| N4 | C18 | C19 | N1 | 178.9° | 177.6° |
| N4 | C18 | C19 | C20 | 2.4° | 0.7° |
| N4 | C17 | N5 | C14 | 158.3° | 5.5° |
| N4 | C17 | N5 | N3 | 178.3° | 179.7° |
| C17 | N4 | C18 | C19 | 2.2° | 0.7° |
| N4 | C17 | N3 | C20 | 2.3° | 0.3° |
| C17 | N4 | C18 | H17 | 177.8° | 179.3° |
| N4 | C17 | N5 | H26 | 21.7° | 174.4° |
| C14 | N5 | C17 | H26 | 180.0° | 180.0° |
| C14 | N5 | C17 | N3 | 23.4° | 174.2° |
| N5 | C14 | C15 | C16 | 178.8° | 179.7° |
| N5 | C14 | C15 | H15 | 1.2° | 0.0° |
| C17 | N5 | C14 | C15 | 36.1° | 25.1° |
| N5 | C17 | N3 | C20 | 179.4° | 179.4° |
| C12 | C11 | C6 | C16 | 180.0° | 179.7° |
| C12 | C11 | C6 | N6 | 55.1° | 134.6° |
| C12 | C11 | C16 | C15 | 0.4° | 0.6° |
| C12 | C11 | C6 | O3 | 124.9° | 45.4° |
| C12 | C11 | C16 | H16 | 179.6° | 179.8° |
| C18 | C19 | N1 | C28 | 40.2° | 38.4° |
| C18 | C19 | N1 | C20 | 176.1° | 178.2° |
| C18 | C19 | C20 | N3 | 2.7° | 1.8° |
| C18 | C19 | N1 | C27 | 141.0° | 141.7° |
| C18 | C19 | C20 | N2 | 176.4° | 176.9° |
| C14 | C15 | C16 | C11 | 0.7° | 0.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 179.3° | 179.8° |
| C15 | C14 | N5 | H26 | 143.9° | 155.0° |
| C17 | N3 | C20 | C19 | 2.6° | 1.6° |
| C17 | N3 | C20 | N2 | 177.1° | 177.1° |
| N3 | C17 | N5 | H26 | 156.6° | 5.9° |
| C | C1 | C2 | H1 | 120.3° | 120.0° |
| C | C1 | C2 | H2 | 120.3° | 120.0° |
| C1 | C | N7 | C36 | 51.7° | 56.1° |
| C1 | C | N7 | C4 | 119.9° | 120.1° |
| C1 | C | N7 | H27 | 120.4° | 120.0° |
| C1 | C | C4 | H27 | 117.6° | 120.0° |
| C | C1 | C2 | N6 | 64.0° | 54.6° |
| C1 | C | C4 | C3 | 42.7° | 61.3° |
| C1 | C | N7 | C30 | 171.8° | 180.0° |
| C | C1 | H1 | H2 | 119.1° | 120.0° |
| C | C1 | C2 | H3 | 56.0° | 174.4° |
| C | C1 | C2 | H4 | 176.0° | 65.1° |
| C1 | C | C4 | H7 | 163.0° | 58.7° |
| C1 | C | C4 | H8 | 77.7° | 178.6° |
| C2 | C1 | C | N7 | 99.8° | 178.6° |
| C2 | C1 | C | C4 | 21.9° | 61.3° |
| C1 | C2 | N6 | H3 | 120.0° | 119.9° |
| C1 | C2 | N6 | H4 | 120.0° | 119.8° |
| C1 | C2 | N6 | C3 | 36.9° | 53.6° |
| C1 | C2 | N6 | C6 | 145.2° | 126.4° |
| C2 | C1 | H1 | H2 | 119.0° | 120.0° |
| C1 | C2 | H3 | H4 | 120.1° | 120.4° |
| C2 | C1 | C | H27 | 139.5° | 58.7° |
| C35 | C36 | N7 | H40 | 120.1° | 119.9° |
| C35 | C36 | N7 | H41 | 120.1° | 120.0° |
| C35 | C36 | N7 | C | 177.7° | 176.8° |
| C36 | C35 | N8 | H38 | 120.1° | 120.0° |
| C36 | C35 | N8 | H39 | 120.1° | 119.9° |
| C35 | C36 | N7 | C30 | 61.1° | 59.3° |
| C36 | C35 | N8 | C37 | 178.0° | 176.8° |
| C36 | C35 | N8 | C33 | 57.4° | 59.3° |
| C36 | C35 | H38 | H39 | 119.7° | 120.0° |
| C35 | C36 | H40 | H41 | 119.8° | 120.1° |
| C36 | N7 | C | C30 | 120.1° | 123.8° |
| C36 | N7 | C | C4 | 171.6° | 176.2° |
| N7 | C36 | C35 | N8 | 59.9° | 58.4° |
| C36 | N7 | C30 | C33 | 60.9° | 59.3° |
| C36 | N7 | C | H27 | 68.6° | 63.8° |
| C36 | N7 | C30 | H33 | 179.0° | 179.3° |
| C36 | N7 | C30 | H34 | 59.3° | 60.7° |
| N7 | C36 | C35 | H38 | 180.0° | 61.6° |
| N7 | C36 | C35 | H39 | 60.1° | 178.3° |
| N7 | C36 | H40 | H41 | 119.8° | 120.1° |
| N7 | C | C4 | H27 | 120.1° | 120.0° |
| N7 | C | C4 | C3 | 165.0° | 178.6° |
| C | N7 | C30 | C33 | 177.0° | 176.8° |
| N7 | C | C1 | H1 | 20.5° | 58.6° |
| N7 | C | C1 | H2 | 139.9° | 61.4° |
| N7 | C | C4 | H7 | 74.7° | 61.4° |
| N7 | C | C4 | H8 | 44.6° | 58.6° |
| C | N7 | C30 | H33 | 56.9° | 56.8° |
| C | N7 | C30 | H34 | 62.9° | 63.2° |
| C | N7 | C36 | H40 | 57.5° | 63.3° |
| C | N7 | C36 | H41 | 62.3° | 56.8° |
| C | C4 | C3 | N6 | 69.4° | 54.7° |
| C | C4 | C3 | H7 | 120.3° | 120.0° |
| C | C4 | C3 | H8 | 120.3° | 120.0° |
| C4 | C | N7 | C30 | 68.3° | 59.9° |
| C4 | C | C1 | H1 | 142.2° | 178.6° |
| C4 | C | C1 | H2 | 98.4° | 58.7° |
| C | C4 | C3 | H5 | 171.1° | 65.2° |
| C | C4 | C3 | H6 | 50.0° | 174.4° |
| C | C4 | H7 | H8 | 119.0° | 120.0° |
| C28 | N1 | C19 | C27 | 178.8° | 180.0° |
| C28 | N1 | C19 | C20 | 135.9° | 139.9° |
| C28 | N1 | C27 | O1 | 9.6° | 0.9° |
| C28 | N1 | C27 | C26 | 170.6° | 179.1° |
| N1 | C28 | H20 | H21 | 120.0° | 120.0° |
| N1 | C28 | H20 | H22 | 120.0° | 120.0° |
| N1 | C28 | H21 | H22 | 120.0° | 120.0° |
| C11 | C6 | N6 | C2 | 26.0° | 175.9° |
| C11 | C6 | N6 | C3 | 156.3° | 4.1° |
| C11 | C6 | N6 | O3 | 180.0° | 180.0° |
| C6 | C11 | C16 | C15 | 179.6° | 179.8° |
| C6 | C11 | C12 | H14 | 1.0° | 0.0° |
| C6 | C11 | C16 | H16 | 0.4° | 0.1° |
| C16 | C11 | C6 | N6 | 124.9° | 45.7° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C16 | C11 | C6 | O3 | 55.1° | 134.3° |
| C16 | C11 | C12 | H14 | 179.0° | 179.7° |
| C11 | C16 | C15 | H15 | 179.3° | 179.7° |
| N1 | C19 | C20 | N3 | 178.8° | 176.5° |
| N1 | C19 | C20 | N2 | 7.5° | 4.9° |
| C19 | N1 | C27 | O1 | 171.7° | 179.1° |
| C19 | N1 | C27 | C26 | 8.1° | 0.8° |
| N1 | C19 | C18 | H17 | 1.1° | 2.3° |
| C19 | N1 | C28 | H20 | 180.0° | 90.0° |
| C19 | N1 | C28 | H21 | 60.0° | 150.0° |
| C19 | N1 | C28 | H22 | 60.0° | 30.0° |
| C19 | C20 | N3 | N2 | 174.4° | 178.7° |
| C20 | C19 | N1 | C27 | 42.9° | 40.1° |
| C19 | C20 | N2 | C21 | 48.1° | 61.1° |
| C19 | C20 | N2 | C29 | 149.4° | 118.9° |
| C20 | C19 | C18 | H17 | 177.6° | 179.4° |
| C2 | N6 | C3 | C6 | 177.9° | 180.0° |
| C2 | N6 | C3 | C4 | 25.2° | 53.6° |
| C2 | N6 | C6 | O3 | 154.0° | 4.1° |
| N6 | C2 | C1 | H1 | 175.7° | 174.6° |
| N6 | C2 | C1 | H2 | 56.3° | 65.4° |
| N6 | C2 | H3 | H4 | 120.0° | 120.3° |
| C2 | N6 | C3 | H5 | 144.7° | 66.2° |
| C2 | N6 | C3 | H6 | 94.2° | 173.4° |
| N6 | C3 | C4 | H5 | 119.5° | 119.8° |
| N6 | C3 | C4 | H6 | 119.4° | 119.8° |
| C3 | N6 | C6 | O3 | 23.7° | 175.9° |
| C3 | N6 | C2 | H3 | 83.1° | 173.4° |
| C3 | N6 | C2 | H4 | 156.9° | 66.2° |
| N6 | C3 | H5 | H6 | 121.6° | 120.3° |
| N6 | C3 | C4 | H7 | 170.2° | 65.3° |
| N6 | C3 | C4 | H8 | 50.9° | 174.6° |
| C4 | C3 | N6 | C6 | 152.6° | 126.4° |
| C4 | C3 | H5 | H6 | 121.6° | 120.4° |
| C3 | C4 | H7 | H8 | 119.0° | 120.1° |
| C3 | C4 | C | H27 | 74.9° | 58.6° |
| C35 | N8 | C37 | C33 | 121.2° | 123.8° |
| C35 | N8 | C33 | C30 | 57.1° | 59.3° |
| C35 | N8 | C33 | H35 | 177.1° | 60.6° |
| C35 | N8 | C33 | H36 | 63.0° | 179.3° |
| N8 | C35 | H38 | H39 | 119.8° | 120.1° |
| N8 | C35 | C36 | H40 | 180.0° | 61.5° |
| N8 | C35 | C36 | H41 | 60.1° | 178.4° |
| C35 | N8 | C37 | H42 | 180.0° | 176.2° |
| C35 | N8 | C37 | H43 | 60.0° | 56.2° |
| C35 | N8 | C37 | H44 | 60.0° | 63.7° |
| C6 | N6 | C2 | H3 | 94.8° | 6.6° |
| C6 | N6 | C2 | H4 | 25.2° | 113.8° |
| C6 | N6 | C3 | H5 | 33.2° | 113.8° |
| C6 | N6 | C3 | H6 | 87.9° | 6.6° |
| N7 | C30 | C33 | N8 | 59.3° | 58.4° |
| N7 | C30 | C33 | H33 | 120.1° | 120.0° |
| N7 | C30 | C33 | H34 | 120.1° | 120.0° |
| C30 | N7 | C | H27 | 51.4° | 60.0° |
| N7 | C30 | H33 | H34 | 119.7° | 120.0° |
| N7 | C30 | C33 | H35 | 179.4° | 61.6° |
| N7 | C30 | C33 | H36 | 60.7° | 178.4° |
| C30 | N7 | C36 | H40 | 178.8° | 60.7° |
| C30 | N7 | C36 | H41 | 59.0° | 179.2° |
| N3 | C20 | N2 | C21 | 125.9° | 117.6° |
| N3 | C20 | N2 | C29 | 36.6° | 62.4° |
| C37 | N8 | C33 | C30 | 178.1° | 176.8° |
| C37 | N8 | C33 | H35 | 61.8° | 63.2° |
| C37 | N8 | C33 | H36 | 58.1° | 56.8° |
| C37 | N8 | C35 | H38 | 61.9° | 63.2° |
| C37 | N8 | C35 | H39 | 58.0° | 56.9° |
| N8 | C37 | H42 | H43 | 120.0° | 120.0° |
| N8 | C37 | H42 | H44 | 120.0° | 120.0° |
| N8 | C37 | H43 | H44 | 120.0° | 120.0° |
| N8 | C33 | C30 | H35 | 120.1° | 119.9° |
| N8 | C33 | C30 | H36 | 120.1° | 120.1° |
| N8 | C33 | C30 | H33 | 179.4° | 178.4° |
| N8 | C33 | C30 | H34 | 60.8° | 61.6° |
| N8 | C33 | H35 | H36 | 119.7° | 120.1° |
| C33 | N8 | C35 | H38 | 177.5° | 60.6° |
| C33 | N8 | C35 | H39 | 62.7° | 179.3° |
| C33 | N8 | C37 | H42 | 58.8° | 60.0° |
| C33 | N8 | C37 | H43 | 178.8° | 180.0° |
| C33 | N8 | C37 | H44 | 61.2° | 60.1° |
| N1 | C27 | O1 | C26 | 179.8° | 180.0° |
| N1 | C27 | C26 | C21 | 31.3° | 39.1° |
| N1 | C27 | C26 | C25 | 151.9° | 141.3° |
| C27 | N1 | C28 | H20 | 1.1° | 90.1° |
| C27 | N1 | C28 | H21 | 118.9° | 30.0° |
| C27 | N1 | C28 | H22 | 121.2° | 150.0° |
| C33 | C30 | H33 | H34 | 119.7° | 120.0° |
| C30 | C33 | H35 | H36 | 119.8° | 120.0° |
| C20 | N2 | C21 | C29 | 162.2° | 180.0° |
| C20 | N2 | C21 | C26 | 46.0° | 59.8° |
| C20 | N2 | C29 | C31 | 46.9° | 37.5° |
| C20 | N2 | C21 | C22 | 127.9° | 117.6° |
| C20 | N2 | C29 | C7 | 149.8° | 60.0° |
| C20 | N2 | C29 | H25 | 82.1° | 168.8° |
| O1 | C27 | C26 | C21 | 148.8° | 140.9° |
| O1 | C27 | C26 | C25 | 27.9° | 38.7° |
| C27 | C26 | C21 | N2 | 6.1° | 4.9° |
| C27 | C26 | C21 | C25 | 176.6° | 179.6° |
| C27 | C26 | C21 | C22 | 179.9° | 177.6° |
| C27 | C26 | C25 | C24 | 179.0° | 178.4° |
| C27 | C26 | C25 | H19 | 1.0° | 1.5° |
| N2 | C21 | C26 | C22 | 173.8° | 177.5° |
| N2 | C21 | C26 | C25 | 177.2° | 175.5° |
| C21 | N2 | C29 | C31 | 151.8° | 142.5° |
| C21 | N2 | C29 | C7 | 48.9° | 120.0° |
| N2 | C21 | C22 | C23 | 177.8° | 176.1° |
| N2 | C21 | C22 | H18 | 2.2° | 4.0° |
| C21 | N2 | C29 | H25 | 79.2° | 11.2° |
| C29 | N2 | C21 | C26 | 151.8° | 120.2° |
| N2 | C29 | C31 | C7 | 117.1° | 114.6° |
| N2 | C29 | C31 | H25 | 129.4° | 130.8° |
| N2 | C29 | C31 | C32 | 127.3° | 89.2° |
| C29 | N2 | C21 | C22 | 34.3° | 62.4° |
| N2 | C29 | C7 | H25 | 128.6° | 130.8° |
| N2 | C29 | C7 | C32 | 128.2° | 89.2° |
| N2 | C29 | C7 | H12 | 11.9° | 25.5° |
| N2 | C29 | C7 | H13 | 115.6° | 156.3° |
| N2 | C29 | C31 | H28 | 116.4° | 156.3° |
| N2 | C29 | C31 | H29 | 11.1° | 25.4° |
| C21 | C26 | C25 | C24 | 2.1° | 1.2° |
| C26 | C21 | C22 | C23 | 3.3° | 1.4° |
| C26 | C21 | C22 | H18 | 176.7° | 178.6° |
| C21 | C26 | C25 | H19 | 178.0° | 178.9° |
| C25 | C26 | C21 | C22 | 3.4° | 2.0° |
| C26 | C25 | C24 | H19 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.5° | 0.2° |
| C26 | C25 | C24 | H23 | 179.5° | 179.8° |
| C29 | C31 | C32 | H28 | 116.2° | 114.5° |
| C29 | C31 | C32 | H29 | 116.3° | 114.5° |
| C31 | C29 | C7 | H25 | 113.5° | 114.6° |
| C29 | C31 | C32 | C7 | 10.2° | 25.4° |
| C31 | C29 | C7 | H12 | 106.0° | 140.0° |
| C31 | C29 | C7 | H13 | 126.5° | 89.2° |
| C29 | C31 | H28 | H29 | 130.0° | 131.2° |
| C29 | C31 | C32 | H30 | 106.5° | 89.1° |
| C29 | C31 | C32 | H31 | 126.9° | 140.0° |
| C31 | C32 | C7 | H30 | 116.7° | 114.5° |
| C31 | C32 | C7 | H31 | 116.7° | 114.5° |
| C31 | C32 | C7 | H12 | 106.0° | 140.0° |
| C31 | C32 | C7 | H13 | 126.5° | 89.2° |
| C32 | C31 | C29 | H25 | 103.2° | 139.9° |
| C32 | C31 | H28 | H29 | 130.0° | 131.3° |
| C31 | C32 | H30 | H31 | 128.9° | 131.2° |
| C21 | C22 | C23 | H18 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.9° | 0.0° |
| C21 | C22 | C23 | H24 | 178.1° | 179.9° |
| C25 | C24 | C23 | C22 | 0.4° | 0.8° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C25 | C24 | C23 | H24 | 179.6° | 179.3° |
| C29 | C7 | C32 | H12 | 116.2° | 114.6° |
| C29 | C7 | C32 | H13 | 116.3° | 114.6° |
| C29 | C7 | H12 | H13 | 130.0° | 131.2° |
| C7 | C29 | C31 | H28 | 126.5° | 89.1° |
| C7 | C29 | C31 | H29 | 106.1° | 140.0° |
| C29 | C7 | C32 | H30 | 106.5° | 89.1° |
| C29 | C7 | C32 | H31 | 126.9° | 139.9° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C22 | C23 | C24 | H23 | 179.6° | 179.3° |
| C24 | C23 | C22 | H18 | 178.1° | 179.9° |
| C23 | C24 | C25 | H19 | 179.5° | 179.8° |
| C32 | C7 | H12 | H13 | 130.0° | 131.2° |
| C32 | C7 | C29 | H25 | 103.3° | 140.0° |
| C7 | C32 | C31 | H28 | 126.4° | 89.2° |
| C7 | C32 | C31 | H29 | 106.1° | 139.9° |
| C7 | C32 | H30 | H31 | 128.9° | 131.4° |
| H1 | C1 | C2 | H3 | 64.3° | 65.6° |
| H1 | C1 | C2 | H4 | 55.7° | 54.9° |
| H1 | C1 | C | H27 | 100.2° | 61.4° |
| H2 | C1 | C2 | H3 | 176.3° | 54.4° |
| H2 | C1 | C2 | H4 | 63.7° | 174.9° |
| H2 | C1 | C | H27 | 19.2° | 178.7° |
| H5 | C3 | C4 | H7 | 50.8° | 174.8° |
| H5 | C3 | C4 | H8 | 68.6° | 54.8° |
| H6 | C3 | C4 | H7 | 70.3° | 54.4° |
| H6 | C3 | C4 | H8 | 170.3° | 65.6° |
| H7 | C4 | C | H27 | 45.4° | 178.6° |
| H8 | C4 | C | H27 | 164.7° | 61.4° |
| H9 | C5 | H10 | H11 | 120.0° | 120.0° |
| H12 | C7 | C29 | H25 | 140.5° | 105.4° |
| H12 | C7 | C32 | H30 | 137.3° | 25.5° |
| H12 | C7 | C32 | H31 | 10.7° | 105.5° |
| H13 | C7 | C29 | H25 | 13.0° | 25.4° |
| H13 | C7 | C32 | H30 | 9.8° | 156.3° |
| H13 | C7 | C32 | H31 | 116.8° | 25.3° |
| H15 | C15 | C16 | H16 | 0.7° | 0.0° |
| H18 | C22 | C23 | H24 | 1.9° | 0.1° |
| H19 | C25 | C24 | H23 | 0.5° | 0.2° |
| H20 | C28 | H21 | H22 | 120.0° | 120.0° |
| H23 | C24 | C23 | H24 | 0.4° | 0.7° |
| H25 | C29 | C31 | H28 | 13.0° | 25.5° |
| H25 | C29 | C31 | H29 | 140.5° | 105.4° |
| H28 | C31 | C32 | H30 | 9.7° | 156.4° |
| H28 | C31 | C32 | H31 | 116.9° | 25.5° |
| H29 | C31 | C32 | H30 | 137.2° | 25.4° |
| H29 | C31 | C32 | H31 | 10.6° | 105.5° |
| H33 | C30 | C33 | H35 | 60.5° | 58.4° |
| H33 | C30 | C33 | H36 | 59.4° | 61.6° |
| H34 | C30 | C33 | H35 | 59.3° | 178.4° |
| H34 | C30 | C33 | H36 | 179.2° | 58.4° |
| H38 | C35 | C36 | H40 | 59.9° | 178.5° |
| H38 | C35 | C36 | H41 | 60.0° | 58.3° |
| H39 | C35 | C36 | H40 | 59.9° | 58.4° |
| H39 | C35 | C36 | H41 | 179.8° | 61.7° |
| H42 | C37 | H43 | H44 | 120.0° | 120.0° |
