CUF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.26Å | 1.36Å | |
| C1 | C2 | doub | 1.43Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.49Å | Aromatic |
| F1 | C11 | sing | 1.35Å | 1.35Å | |
| N1 | C7 | doub | 1.29Å | 1.26Å | |
| N1 | C8 | sing | 1.42Å | 1.40Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 0.94Å | 1.08Å | |
| F2 | C10 | sing | 1.35Å | 1.35Å | |
| N2 | C13 | sing | 1.42Å | 1.41Å | |
| N2 | C14 | doub | 1.29Å | 1.26Å | |
| O2 | C20 | sing | 1.26Å | 1.37Å | |
| C3 | O3 | sing | 1.39Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C22 | sing | 1.48Å | 1.47Å | |
| N3 | C23 | sing | 1.50Å | 1.48Å | |
| N3 | C27 | sing | 1.50Å | 1.48Å | |
| O3 | C21 | sing | 1.44Å | 1.43Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H2 | sing | 0.94Å | 1.08Å | |
| N4 | C29 | sing | 1.48Å | 1.48Å | |
| N4 | C30 | sing | 1.50Å | 1.48Å | |
| N4 | C34 | sing | 1.50Å | 1.48Å | |
| O4 | C18 | sing | 1.38Å | 1.37Å | |
| O4 | C28 | sing | 1.44Å | 1.43Å | |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | H3 | sing | 0.94Å | 1.08Å | |
| C6 | C7 | sing | 1.45Å | 1.48Å | |
| C7 | H4 | sing | 0.94Å | 1.08Å | |
| C8 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | H5 | sing | 0.94Å | 1.08Å | |
| C10 | C11 | doub | 1.37Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | H6 | sing | 0.94Å | 1.08Å | |
| C14 | C15 | sing | 1.45Å | 1.49Å | |
| C14 | H7 | sing | 0.94Å | 1.08Å | |
| C15 | C16 | doub | 1.41Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.49Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H8 | sing | 0.94Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | H9 | sing | 0.94Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.43Å | 1.39Å | Aromatic |
| C19 | H10 | sing | 0.94Å | 1.08Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | H11 | sing | 0.97Å | 1.10Å | |
| C21 | H12 | sing | 0.97Å | 1.10Å | |
| C22 | H13 | sing | 0.98Å | 1.10Å | |
| C22 | H14 | sing | 0.98Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H15 | sing | 0.97Å | 1.10Å | |
| C23 | H16 | sing | 0.98Å | 1.10Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C24 | H17 | sing | 0.98Å | 1.10Å | |
| C24 | H18 | sing | 0.98Å | 1.10Å | |
| C25 | C26 | sing | 1.52Å | 1.51Å | |
| C25 | H19 | sing | 0.98Å | 1.10Å | |
| C25 | H20 | sing | 0.98Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | H21 | sing | 0.98Å | 1.10Å | |
| C26 | H22 | sing | 0.98Å | 1.10Å | |
| C27 | H23 | sing | 0.98Å | 1.10Å | |
| C27 | H24 | sing | 0.98Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | H25 | sing | 0.97Å | 1.10Å | |
| C28 | H26 | sing | 0.97Å | 1.10Å | |
| C29 | H27 | sing | 0.98Å | 1.10Å | |
| C29 | H28 | sing | 0.98Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H29 | sing | 0.98Å | 1.10Å | |
| C30 | H30 | sing | 0.98Å | 1.10Å | |
| C31 | C32 | sing | 1.52Å | 1.53Å | |
| C31 | H31 | sing | 0.98Å | 1.10Å | |
| C31 | H32 | sing | 0.98Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H33 | sing | 0.98Å | 1.10Å | |
| C32 | H34 | sing | 0.98Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H35 | sing | 0.98Å | 1.10Å | |
| C33 | H36 | sing | 0.98Å | 1.10Å | |
| C34 | H37 | sing | 0.98Å | 1.10Å | |
| C34 | H38 | sing | 0.98Å | 1.10Å | |
| O2 | CU1 | sing | 1.92Å | 2.00Å | |
| O1 | CU1 | sing | 1.92Å | 2.00Å | |
| N1 | CU1 | sing | 1.91Å | 1.98Å | |
| N2 | CU1 | sing | 1.91Å | 2.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.3° | 117.6° |
| O1 | C1 | C6 | 123.1° | 123.8° |
| C1 | O1 | CU1 | 123.9° | 120.4° |
| C2 | C1 | C6 | 118.5° | 118.5° |
| C1 | C2 | C3 | 120.5° | 121.7° |
| C1 | C2 | H1 | 119.8° | 118.6° |
| C1 | C6 | C5 | 118.5° | 117.8° |
| C1 | C6 | C7 | 124.0° | 124.3° |
| F1 | C11 | C10 | 120.0° | 119.1° |
| F1 | C11 | C12 | 120.1° | 120.0° |
| C7 | N1 | C8 | 119.9° | 127.6° |
| N1 | C7 | C6 | 126.4° | 124.5° |
| N1 | C7 | H4 | 116.8° | 118.4° |
| C7 | N1 | CU1 | 125.4° | 120.6° |
| N1 | C8 | C9 | 122.0° | 125.4° |
| N1 | C8 | C13 | 116.9° | 115.3° |
| C8 | N1 | CU1 | 112.1° | 111.3° |
| C3 | C2 | H1 | 119.7° | 119.7° |
| C2 | C3 | O3 | 120.1° | 110.7° |
| C2 | C3 | C4 | 121.0° | 119.2° |
| F2 | C10 | C9 | 119.2° | 120.0° |
| F2 | C10 | C11 | 120.5° | 119.1° |
| C13 | N2 | C14 | 120.3° | 127.6° |
| N2 | C13 | C8 | 116.1° | 115.3° |
| N2 | C13 | C12 | 123.1° | 125.4° |
| C13 | N2 | CU1 | 111.7° | 111.1° |
| N2 | C14 | C15 | 126.0° | 124.5° |
| N2 | C14 | H7 | 117.0° | 118.4° |
| C14 | N2 | CU1 | 126.0° | 120.8° |
| O2 | C20 | C15 | 123.5° | 124.3° |
| O2 | C20 | C19 | 117.8° | 117.2° |
| C20 | O2 | CU1 | 124.5° | 121.0° |
| O3 | C3 | C4 | 118.8° | 130.0° |
| C3 | O3 | C21 | 118.7° | 123.2° |
| C3 | C4 | C5 | 120.7° | 119.7° |
| C3 | C4 | H2 | 119.6° | 120.7° |
| C22 | N3 | C23 | 109.4° | 114.3° |
| C22 | N3 | C27 | 109.2° | 114.4° |
| N3 | C22 | C21 | 109.4° | 114.5° |
| N3 | C22 | H13 | 109.5° | 109.5° |
| N3 | C22 | H14 | 109.5° | 109.4° |
| C23 | N3 | C27 | 110.1° | 112.0° |
| N3 | C23 | C24 | 109.9° | 112.2° |
| N3 | C23 | H15 | 109.4° | 109.2° |
| N3 | C23 | H16 | 109.4° | 109.5° |
| N3 | C27 | C26 | 110.3° | 112.2° |
| N3 | C27 | H23 | 109.2° | 109.4° |
| N3 | C27 | H24 | 109.2° | 109.2° |
| O3 | C21 | C22 | 109.8° | 108.8° |
| O3 | C21 | H11 | 109.4° | 109.3° |
| O3 | C21 | H12 | 109.4° | 110.7° |
| C5 | C4 | H2 | 119.6° | 119.5° |
| C4 | C5 | C6 | 120.8° | 123.0° |
| C4 | C5 | H3 | 119.6° | 118.5° |
| C29 | N4 | C30 | 109.2° | 114.4° |
| C29 | N4 | C34 | 109.6° | 114.5° |
| N4 | C29 | C28 | 107.6° | 114.0° |
| N4 | C29 | H27 | 110.1° | 109.6° |
| N4 | C29 | H28 | 110.1° | 109.5° |
| C30 | N4 | C34 | 109.6° | 112.0° |
| N4 | C30 | C31 | 110.4° | 112.1° |
| N4 | C30 | H29 | 109.2° | 109.4° |
| N4 | C30 | H30 | 109.1° | 109.2° |
| N4 | C34 | C33 | 109.3° | 112.2° |
| N4 | C34 | H37 | 109.5° | 109.2° |
| N4 | C34 | H38 | 109.5° | 109.4° |
| C18 | O4 | C28 | 120.1° | 122.0° |
| O4 | C18 | C17 | 119.9° | 129.0° |
| O4 | C18 | C19 | 119.6° | 111.6° |
| O4 | C28 | C29 | 109.2° | 107.7° |
| O4 | C28 | H25 | 109.6° | 109.8° |
| O4 | C28 | H26 | 109.6° | 110.0° |
| C6 | C5 | H3 | 119.6° | 118.5° |
| C5 | C6 | C7 | 117.5° | 117.9° |
| C6 | C7 | H4 | 116.8° | 117.1° |
| C9 | C8 | C13 | 120.6° | 119.3° |
| C8 | C9 | C10 | 119.4° | 119.8° |
| C8 | C9 | H5 | 120.3° | 120.3° |
| C8 | C13 | C12 | 120.6° | 119.3° |
| C10 | C9 | H5 | 120.3° | 119.9° |
| C9 | C10 | C11 | 120.3° | 120.9° |
| C10 | C11 | C12 | 119.9° | 120.9° |
| C11 | C12 | C13 | 119.1° | 119.9° |
| C11 | C12 | H6 | 120.4° | 119.9° |
| C13 | C12 | H6 | 120.5° | 120.3° |
| C15 | C14 | H7 | 117.0° | 117.0° |
| C14 | C15 | C16 | 117.9° | 117.9° |
| C14 | C15 | C20 | 124.1° | 124.2° |
| C16 | C15 | C20 | 118.1° | 117.9° |
| C15 | C16 | C17 | 121.0° | 123.0° |
| C15 | C16 | H8 | 119.5° | 118.5° |
| C15 | C20 | C19 | 118.7° | 118.5° |
| C17 | C16 | H8 | 119.5° | 118.5° |
| C16 | C17 | C18 | 120.7° | 119.6° |
| C16 | C17 | H9 | 119.6° | 119.6° |
| C18 | C17 | H9 | 119.7° | 120.8° |
| C17 | C18 | C19 | 120.5° | 119.5° |
| C18 | C19 | C20 | 121.0° | 121.7° |
| C18 | C19 | H10 | 119.5° | 119.7° |
| C20 | C19 | H10 | 119.5° | 118.6° |
| C22 | C21 | H11 | 109.4° | 109.5° |
| C22 | C21 | H12 | 109.4° | 110.1° |
| C21 | C22 | H13 | 109.5° | 107.8° |
| C21 | C22 | H14 | 109.5° | 108.1° |
| H11 | C21 | H12 | 109.6° | 108.5° |
| H13 | C22 | H14 | 109.5° | 107.2° |
| C24 | C23 | H15 | 109.4° | 108.8° |
| C24 | C23 | H16 | 109.3° | 109.3° |
| C23 | C24 | C25 | 109.5° | 111.9° |
| C23 | C24 | H17 | 109.5° | 109.3° |
| C23 | C24 | H18 | 109.5° | 109.1° |
| H15 | C23 | H16 | 109.6° | 107.8° |
| C25 | C24 | H17 | 109.5° | 109.4° |
| C25 | C24 | H18 | 109.5° | 109.3° |
| C24 | C25 | C26 | 110.6° | 111.2° |
| C24 | C25 | H19 | 109.1° | 109.4° |
| C24 | C25 | H20 | 109.1° | 109.5° |
| H17 | C24 | H18 | 109.4° | 107.7° |
| C26 | C25 | H19 | 109.1° | 109.4° |
| C26 | C25 | H20 | 109.1° | 109.5° |
| C25 | C26 | C27 | 110.7° | 111.9° |
| C25 | C26 | H21 | 109.1° | 109.4° |
| C25 | C26 | H22 | 109.0° | 109.2° |
| H19 | C25 | H20 | 109.8° | 107.8° |
| C27 | C26 | H21 | 109.0° | 109.3° |
| C27 | C26 | H22 | 109.1° | 109.2° |
| C26 | C27 | H23 | 109.2° | 109.4° |
| C26 | C27 | H24 | 109.2° | 108.8° |
| H21 | C26 | H22 | 109.9° | 107.7° |
| H23 | C27 | H24 | 109.7° | 107.8° |
| C29 | C28 | H25 | 109.5° | 110.2° |
| C29 | C28 | H26 | 109.6° | 109.9° |
| C28 | C29 | H27 | 110.1° | 108.1° |
| C28 | C29 | H28 | 110.1° | 108.1° |
| H25 | C28 | H26 | 109.4° | 109.2° |
| H27 | C29 | H28 | 108.9° | 107.5° |
| C31 | C30 | H29 | 109.1° | 109.4° |
| C31 | C30 | H30 | 109.2° | 108.8° |
| C30 | C31 | C32 | 111.0° | 111.9° |
| C30 | C31 | H31 | 109.0° | 109.1° |
| C30 | C31 | H32 | 109.0° | 109.3° |
| H29 | C30 | H30 | 109.8° | 107.8° |
| C32 | C31 | H31 | 109.0° | 109.3° |
| C32 | C31 | H32 | 109.0° | 109.5° |
| C31 | C32 | C33 | 110.1° | 111.3° |
| C31 | C32 | H33 | 109.2° | 109.6° |
| C31 | C32 | H34 | 109.2° | 109.4° |
| H31 | C31 | H32 | 110.0° | 107.7° |
| C33 | C32 | H33 | 109.2° | 109.5° |
| C33 | C32 | H34 | 109.3° | 109.3° |
| C32 | C33 | C34 | 111.9° | 111.9° |
| C32 | C33 | H35 | 108.7° | 109.2° |
| C32 | C33 | H36 | 108.7° | 109.4° |
| H33 | C32 | H34 | 109.7° | 107.8° |
| C34 | C33 | H35 | 108.6° | 109.1° |
| C34 | C33 | H36 | 108.6° | 109.3° |
| C33 | C34 | H37 | 109.6° | 108.8° |
| C33 | C34 | H38 | 109.5° | 109.3° |
| H35 | C33 | H36 | 110.3° | 107.8° |
| H37 | C34 | H38 | 109.4° | 107.8° |
| O2 | CU1 | O1 | 86.8° | 89.0° |
| O2 | CU1 | N1 | 176.9° | 160.1° |
| O2 | CU1 | N2 | 94.7° | 95.5° |
| O1 | CU1 | N1 | 95.2° | 95.2° |
| O1 | CU1 | N2 | 176.9° | 160.8° |
| N1 | CU1 | N2 | 83.2° | 87.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 175.6° | 178.0° |
| O1 | C1 | C2 | C3 | 176.6° | 179.6° |
| O1 | C1 | C2 | H1 | 3.4° | 1.4° |
| O1 | C1 | C6 | C5 | 176.8° | 179.4° |
| O1 | C1 | C6 | C7 | 5.5° | 2.1° |
| C1 | O1 | CU1 | O2 | 165.8° | 124.1° |
| C1 | O1 | CU1 | N1 | 11.8° | 36.4° |
| C1 | O1 | CU1 | N2 | 46.6° | 132.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.0° |
| C1 | C2 | C3 | O3 | 179.3° | 179.5° |
| C1 | C2 | C3 | C4 | 0.1° | 1.0° |
| C2 | C1 | C6 | C5 | 1.4° | 1.6° |
| C2 | C1 | C6 | C7 | 179.1° | 180.0° |
| C2 | C1 | O1 | CU1 | 175.0° | 153.9° |
| C1 | C6 | C7 | N1 | 8.2° | 7.2° |
| C6 | C1 | C2 | C3 | 1.0° | 1.6° |
| C6 | C1 | C2 | H1 | 179.0° | 179.4° |
| C1 | C6 | C5 | C4 | 0.8° | 1.0° |
| C1 | C6 | C5 | C7 | 177.8° | 178.5° |
| C1 | C6 | C5 | H3 | 179.2° | 179.2° |
| C1 | C6 | C7 | H4 | 171.8° | 173.4° |
| C6 | C1 | O1 | CU1 | 9.7° | 28.2° |
| F1 | C11 | C10 | F2 | 0.4° | 0.0° |
| F1 | C11 | C10 | C9 | 179.9° | 179.8° |
| F1 | C11 | C10 | C12 | 179.7° | 179.9° |
| F1 | C11 | C12 | C13 | 177.9° | 179.7° |
| F1 | C11 | C12 | H6 | 2.1° | 0.2° |
| C7 | N1 | C8 | CU1 | 162.7° | 171.7° |
| N1 | C7 | C6 | C5 | 174.1° | 171.2° |
| N1 | C7 | C6 | H4 | 180.0° | 179.3° |
| C7 | N1 | C8 | C9 | 8.7° | 8.2° |
| C7 | N1 | C8 | C13 | 163.2° | 170.7° |
| C7 | N1 | CU1 | O2 | 115.8° | 73.5° |
| C7 | N1 | CU1 | O1 | 14.3° | 27.9° |
| C7 | N1 | CU1 | N2 | 163.0° | 171.3° |
| N1 | C8 | C13 | N2 | 1.3° | 0.2° |
| C8 | N1 | C7 | C6 | 174.8° | 177.2° |
| C8 | N1 | C7 | H4 | 5.2° | 3.5° |
| N1 | C8 | C9 | C13 | 171.6° | 178.9° |
| N1 | C8 | C9 | C10 | 174.5° | 179.6° |
| N1 | C8 | C9 | H5 | 5.5° | 1.4° |
| N1 | C8 | C13 | C12 | 172.7° | 179.2° |
| C8 | N1 | CU1 | O2 | 45.8° | 98.8° |
| C8 | N1 | CU1 | O1 | 175.8° | 159.8° |
| C8 | N1 | CU1 | N2 | 1.5° | 1.1° |
| C2 | C3 | O3 | C4 | 179.2° | 179.5° |
| C2 | C3 | O3 | C21 | 158.5° | 176.6° |
| C2 | C3 | C4 | C5 | 0.7° | 0.4° |
| C2 | C3 | C4 | H2 | 179.3° | 179.8° |
| H1 | C2 | C3 | O3 | 0.8° | 0.5° |
| H1 | C2 | C3 | C4 | 179.9° | 180.0° |
| F2 | C10 | C9 | C8 | 177.3° | 179.5° |
| F2 | C10 | C9 | C11 | 179.8° | 179.8° |
| F2 | C10 | C9 | H5 | 2.7° | 0.5° |
| F2 | C10 | C11 | C12 | 179.9° | 179.9° |
| C13 | N2 | C14 | CU1 | 162.7° | 171.2° |
| N2 | C13 | C8 | C9 | 173.3° | 179.2° |
| N2 | C13 | C8 | C12 | 174.1° | 179.4° |
| N2 | C13 | C12 | C11 | 175.6° | 179.7° |
| N2 | C13 | C12 | H6 | 4.5° | 0.8° |
| C13 | N2 | C14 | C15 | 175.1° | 178.1° |
| C13 | N2 | C14 | H7 | 4.9° | 2.6° |
| C13 | N2 | CU1 | O2 | 175.6° | 161.2° |
| C13 | N2 | CU1 | O1 | 56.6° | 96.1° |
| C13 | N2 | CU1 | N1 | 2.1° | 1.0° |
| C14 | N2 | C13 | C8 | 167.5° | 172.6° |
| C14 | N2 | C13 | C12 | 6.4° | 8.0° |
| N2 | C14 | C15 | H7 | 180.0° | 179.3° |
| N2 | C14 | C15 | C16 | 174.8° | 172.9° |
| N2 | C14 | C15 | C20 | 6.1° | 8.3° |
| C14 | N2 | CU1 | O2 | 11.7° | 26.3° |
| C14 | N2 | CU1 | O1 | 107.3° | 76.5° |
| C14 | N2 | CU1 | N1 | 166.1° | 173.5° |
| O2 | C20 | C15 | C14 | 1.8° | 0.3° |
| O2 | C20 | C15 | C16 | 179.1° | 179.1° |
| O2 | C20 | C15 | C19 | 178.8° | 179.7° |
| O2 | C20 | C19 | C18 | 179.0° | 179.6° |
| O2 | C20 | C19 | H10 | 1.0° | 0.5° |
| C20 | O2 | CU1 | O1 | 169.6° | 127.6° |
| C20 | O2 | CU1 | N1 | 39.3° | 129.9° |
| C20 | O2 | CU1 | N2 | 7.6° | 33.7° |
| O3 | C3 | C4 | C5 | 179.9° | 179.8° |
| O3 | C3 | C4 | H2 | 0.1° | 0.3° |
| C3 | O3 | C21 | C22 | 128.7° | 89.0° |
| C3 | O3 | C21 | H11 | 8.7° | 151.6° |
| C3 | O3 | C21 | H12 | 111.3° | 32.2° |
| C4 | C3 | O3 | C21 | 20.7° | 3.9° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C3 | C4 | C5 | H3 | 179.8° | 179.8° |
| C22 | N3 | C23 | C27 | 120.1° | 132.1° |
| N3 | C22 | C21 | O3 | 136.9° | 175.3° |
| N3 | C22 | C21 | H13 | 120.0° | 122.1° |
| N3 | C22 | C21 | H14 | 120.0° | 122.3° |
| N3 | C22 | C21 | H11 | 103.1° | 65.4° |
| N3 | C22 | C21 | H12 | 16.9° | 53.8° |
| N3 | C22 | H13 | H14 | 120.0° | 118.6° |
| C22 | N3 | C23 | C24 | 178.2° | 173.7° |
| C22 | N3 | C23 | H15 | 61.7° | 53.0° |
| C22 | N3 | C23 | H16 | 58.2° | 64.8° |
| C22 | N3 | C27 | C26 | 179.3° | 173.6° |
| C22 | N3 | C27 | H23 | 59.4° | 64.7° |
| C22 | N3 | C27 | H24 | 60.7° | 53.0° |
| C23 | N3 | C22 | C21 | 76.2° | 106.2° |
| C23 | N3 | C22 | H13 | 43.8° | 132.6° |
| C23 | N3 | C22 | H14 | 163.8° | 15.3° |
| N3 | C23 | C24 | H15 | 120.0° | 120.9° |
| N3 | C23 | C24 | H16 | 120.0° | 121.6° |
| N3 | C23 | H15 | H16 | 119.8° | 118.8° |
| N3 | C23 | C24 | C25 | 59.1° | 53.5° |
| N3 | C23 | C24 | H17 | 179.0° | 67.8° |
| N3 | C23 | C24 | H18 | 61.0° | 174.6° |
| C23 | N3 | C27 | C26 | 60.5° | 54.3° |
| C23 | N3 | C27 | H23 | 179.5° | 67.3° |
| C23 | N3 | C27 | H24 | 59.5° | 174.9° |
| C27 | N3 | C22 | C21 | 163.2° | 122.8° |
| C27 | N3 | C22 | H13 | 76.8° | 1.6° |
| C27 | N3 | C22 | H14 | 43.2° | 115.7° |
| C27 | N3 | C23 | C24 | 61.7° | 54.2° |
| C27 | N3 | C23 | H15 | 58.3° | 174.9° |
| C27 | N3 | C23 | H16 | 178.3° | 67.3° |
| N3 | C27 | C26 | C25 | 57.0° | 53.6° |
| N3 | C27 | C26 | H23 | 120.0° | 121.6° |
| N3 | C27 | C26 | H24 | 120.0° | 120.9° |
| N3 | C27 | C26 | H21 | 177.0° | 67.7° |
| N3 | C27 | C26 | H22 | 63.0° | 174.7° |
| N3 | C27 | H23 | H24 | 119.7° | 118.6° |
| O3 | C21 | C22 | H11 | 120.0° | 119.3° |
| O3 | C21 | C22 | H12 | 120.0° | 121.5° |
| O3 | C21 | H11 | H12 | 119.9° | 120.7° |
| O3 | C21 | C22 | H13 | 103.1° | 62.6° |
| O3 | C21 | C22 | H14 | 16.9° | 53.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 178.7° | 179.6° |
| H2 | C4 | C5 | C6 | 179.8° | 179.7° |
| H2 | C4 | C5 | H3 | 0.2° | 0.1° |
| C29 | N4 | C30 | C34 | 120.1° | 132.4° |
| N4 | C29 | C28 | O4 | 122.4° | 176.0° |
| N4 | C29 | C28 | H27 | 120.0° | 122.0° |
| N4 | C29 | C28 | H28 | 120.0° | 121.9° |
| N4 | C29 | C28 | H25 | 117.6° | 56.2° |
| N4 | C29 | C28 | H26 | 2.4° | 64.2° |
| N4 | C29 | H27 | H28 | 120.7° | 118.8° |
| C29 | N4 | C30 | C31 | 176.2° | 173.1° |
| C29 | N4 | C30 | H29 | 56.2° | 65.4° |
| C29 | N4 | C30 | H30 | 63.8° | 52.4° |
| C29 | N4 | C34 | C33 | 177.3° | 173.2° |
| C29 | N4 | C34 | H37 | 62.7° | 52.5° |
| C29 | N4 | C34 | H38 | 57.3° | 65.3° |
| C30 | N4 | C29 | C28 | 39.9° | 119.9° |
| C30 | N4 | C29 | H27 | 159.9° | 1.3° |
| C30 | N4 | C29 | H28 | 80.1° | 118.9° |
| N4 | C30 | C31 | H29 | 120.0° | 121.6° |
| N4 | C30 | C31 | H30 | 120.0° | 120.9° |
| N4 | C30 | H29 | H30 | 119.6° | 118.7° |
| N4 | C30 | C31 | C32 | 57.6° | 53.7° |
| N4 | C30 | C31 | H31 | 62.4° | 174.8° |
| N4 | C30 | C31 | H32 | 177.6° | 67.6° |
| C30 | N4 | C34 | C33 | 63.0° | 54.4° |
| C30 | N4 | C34 | H37 | 57.1° | 175.2° |
| C30 | N4 | C34 | H38 | 177.0° | 67.1° |
| C34 | N4 | C29 | C28 | 160.0° | 108.9° |
| C34 | N4 | C29 | H27 | 80.0° | 129.9° |
| C34 | N4 | C29 | H28 | 40.0° | 12.3° |
| C34 | N4 | C30 | C31 | 63.7° | 54.5° |
| C34 | N4 | C30 | H29 | 176.3° | 67.1° |
| C34 | N4 | C30 | H30 | 56.3° | 175.1° |
| N4 | C34 | C33 | C32 | 57.4° | 53.5° |
| N4 | C34 | C33 | H37 | 120.0° | 120.9° |
| N4 | C34 | C33 | H38 | 120.0° | 121.6° |
| N4 | C34 | C33 | H35 | 62.5° | 174.5° |
| N4 | C34 | C33 | H36 | 177.5° | 67.8° |
| N4 | C34 | H37 | H38 | 120.1° | 118.8° |
| O4 | C18 | C17 | C16 | 179.5° | 179.9° |
| O4 | C18 | C17 | C19 | 179.7° | 179.5° |
| O4 | C18 | C17 | H9 | 0.5° | 0.4° |
| O4 | C18 | C19 | C20 | 179.7° | 179.6° |
| O4 | C18 | C19 | H10 | 0.3° | 0.3° |
| C18 | O4 | C28 | C29 | 143.8° | 171.5° |
| C18 | O4 | C28 | H25 | 23.8° | 68.5° |
| C18 | O4 | C28 | H26 | 96.2° | 51.7° |
| C28 | O4 | C18 | C17 | 43.1° | 1.8° |
| C28 | O4 | C18 | C19 | 137.1° | 177.8° |
| O4 | C28 | C29 | H25 | 120.0° | 119.8° |
| O4 | C28 | C29 | H26 | 120.0° | 119.8° |
| O4 | C28 | H25 | H26 | 120.1° | 120.7° |
| O4 | C28 | C29 | H27 | 117.6° | 54.0° |
| O4 | C28 | C29 | H28 | 2.5° | 62.1° |
| C5 | C6 | C7 | H4 | 5.9° | 8.1° |
| H3 | C5 | C6 | C7 | 1.3° | 0.6° |
| C6 | C7 | N1 | CU1 | 14.6° | 11.8° |
| H4 | C7 | N1 | CU1 | 165.4° | 167.5° |
| C8 | C9 | C10 | H5 | 180.0° | 178.9° |
| C8 | C9 | C10 | C11 | 2.5° | 0.7° |
| C9 | C8 | C13 | C12 | 0.7° | 0.2° |
| C9 | C8 | N1 | CU1 | 171.4° | 179.9° |
| C13 | C8 | C9 | C10 | 3.0° | 0.7° |
| C13 | C8 | C9 | H5 | 177.0° | 179.7° |
| C8 | C13 | C12 | C11 | 1.9° | 0.4° |
| C8 | C13 | C12 | H6 | 178.1° | 179.9° |
| C13 | C8 | N1 | CU1 | 0.5° | 1.0° |
| C8 | C13 | N2 | CU1 | 2.5° | 0.7° |
| C9 | C10 | C11 | C12 | 0.2° | 0.1° |
| H5 | C9 | C10 | C11 | 177.5° | 179.6° |
| C10 | C11 | C12 | C13 | 2.4° | 0.4° |
| C10 | C11 | C12 | H6 | 177.7° | 179.9° |
| C11 | C12 | C13 | H6 | 180.0° | 179.5° |
| C12 | C13 | N2 | CU1 | 171.4° | 180.0° |
| C14 | C15 | C16 | C20 | 179.2° | 178.9° |
| C14 | C15 | C16 | C17 | 179.6° | 179.9° |
| C14 | C15 | C16 | H8 | 0.4° | 1.3° |
| C14 | C15 | C20 | C19 | 179.4° | 179.4° |
| C15 | C14 | N2 | CU1 | 12.4° | 10.7° |
| H7 | C14 | C15 | C16 | 5.2° | 6.4° |
| H7 | C14 | C15 | C20 | 173.9° | 172.4° |
| H7 | C14 | N2 | CU1 | 167.6° | 168.6° |
| C15 | C16 | C17 | H8 | 180.0° | 178.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.9° |
| C15 | C16 | C17 | H9 | 179.6° | 179.4° |
| C16 | C15 | C20 | C19 | 0.3° | 0.6° |
| C20 | C15 | C16 | C17 | 0.4° | 1.0° |
| C20 | C15 | C16 | H8 | 179.6° | 179.9° |
| C15 | C20 | C19 | C18 | 0.1° | 0.1° |
| C15 | C20 | C19 | H10 | 179.9° | 179.8° |
| C15 | C20 | O2 | CU1 | 4.6° | 24.9° |
| C16 | C17 | C18 | H9 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.2° | 0.4° |
| H8 | C16 | C17 | C18 | 179.6° | 179.8° |
| H8 | C16 | C17 | H9 | 0.4° | 0.5° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H10 | 179.9° | 179.9° |
| H9 | C17 | C18 | C19 | 179.8° | 179.9° |
| C18 | C19 | C20 | H10 | 180.0° | 180.0° |
| C19 | C20 | O2 | CU1 | 176.6° | 155.5° |
| C22 | C21 | H11 | H12 | 119.9° | 120.2° |
| C21 | C22 | H13 | H14 | 120.0° | 116.2° |
| H11 | C21 | C22 | H13 | 16.9° | 56.7° |
| H11 | C21 | C22 | H14 | 136.9° | 172.3° |
| H12 | C21 | C22 | H13 | 136.9° | 175.9° |
| H12 | C21 | C22 | H14 | 103.1° | 68.5° |
| C24 | C23 | H15 | H16 | 119.8° | 118.4° |
| C23 | C24 | C25 | H17 | 120.0° | 121.3° |
| C23 | C24 | C25 | H18 | 120.0° | 121.0° |
| C23 | C24 | H17 | H18 | 120.0° | 118.5° |
| C23 | C24 | C25 | C26 | 55.7° | 52.4° |
| C23 | C24 | C25 | H19 | 64.3° | 173.4° |
| C23 | C24 | C25 | H20 | 175.7° | 68.7° |
| H15 | C23 | C24 | C25 | 61.0° | 174.4° |
| H15 | C23 | C24 | H17 | 59.0° | 53.1° |
| H15 | C23 | C24 | H18 | 179.0° | 64.5° |
| H16 | C23 | C24 | C25 | 179.1° | 68.1° |
| H16 | C23 | C24 | H17 | 60.9° | 170.6° |
| H16 | C23 | C24 | H18 | 59.0° | 53.0° |
| C25 | C24 | H17 | H18 | 120.0° | 118.7° |
| C24 | C25 | C26 | H19 | 120.0° | 120.9° |
| C24 | C25 | C26 | H20 | 120.0° | 121.2° |
| C24 | C25 | H19 | H20 | 119.5° | 119.0° |
| C24 | C25 | C26 | C27 | 55.0° | 52.5° |
| C24 | C25 | C26 | H21 | 175.0° | 68.8° |
| C24 | C25 | C26 | H22 | 65.0° | 173.5° |
| H17 | C24 | C25 | C26 | 175.7° | 68.8° |
| H17 | C24 | C25 | H19 | 55.7° | 52.1° |
| H17 | C24 | C25 | H20 | 64.3° | 170.0° |
| H18 | C24 | C25 | C26 | 64.3° | 173.4° |
| H18 | C24 | C25 | H19 | 175.7° | 65.6° |
| H18 | C24 | C25 | H20 | 55.7° | 52.3° |
| C26 | C25 | H19 | H20 | 119.5° | 118.9° |
| C25 | C26 | C27 | H21 | 120.0° | 121.4° |
| C25 | C26 | C27 | H22 | 120.0° | 121.0° |
| C25 | C26 | H21 | H22 | 119.5° | 118.6° |
| C25 | C26 | C27 | H23 | 176.9° | 68.0° |
| C25 | C26 | C27 | H24 | 63.0° | 174.5° |
| H19 | C25 | C26 | C27 | 65.0° | 173.4° |
| H19 | C25 | C26 | H21 | 55.0° | 52.1° |
| H19 | C25 | C26 | H22 | 175.0° | 65.6° |
| H20 | C25 | C26 | C27 | 175.0° | 68.7° |
| H20 | C25 | C26 | H21 | 65.0° | 170.0° |
| H20 | C25 | C26 | H22 | 55.0° | 52.3° |
| C27 | C26 | H21 | H22 | 119.5° | 118.5° |
| C26 | C27 | H23 | H24 | 119.7° | 118.1° |
| H21 | C26 | C27 | H23 | 63.1° | 170.6° |
| H21 | C26 | C27 | H24 | 57.0° | 53.1° |
| H22 | C26 | C27 | H23 | 56.9° | 53.0° |
| H22 | C26 | C27 | H24 | 177.0° | 64.5° |
| C29 | C28 | H25 | H26 | 120.1° | 120.7° |
| C28 | C29 | H27 | H28 | 120.8° | 116.5° |
| H25 | C28 | C29 | H27 | 2.4° | 65.9° |
| H25 | C28 | C29 | H28 | 122.4° | 178.1° |
| H26 | C28 | C29 | H27 | 122.4° | 173.8° |
| H26 | C28 | C29 | H28 | 117.5° | 57.8° |
| C31 | C30 | H29 | H30 | 119.6° | 118.1° |
| C30 | C31 | C32 | H31 | 120.0° | 121.0° |
| C30 | C31 | C32 | H32 | 120.0° | 121.3° |
| C30 | C31 | H31 | H32 | 119.4° | 118.5° |
| C30 | C31 | C32 | C33 | 50.9° | 52.5° |
| C30 | C31 | C32 | H33 | 170.9° | 68.8° |
| C30 | C31 | C32 | H34 | 69.1° | 173.3° |
| H29 | C30 | C31 | C32 | 177.6° | 67.9° |
| H29 | C30 | C31 | H31 | 57.6° | 53.2° |
| H29 | C30 | C31 | H32 | 62.4° | 170.8° |
| H30 | C30 | C31 | C32 | 62.4° | 174.6° |
| H30 | C30 | C31 | H31 | 177.6° | 64.3° |
| H30 | C30 | C31 | H32 | 57.6° | 53.2° |
| C32 | C31 | H31 | H32 | 119.4° | 118.8° |
| C31 | C32 | C33 | H33 | 120.0° | 121.3° |
| C31 | C32 | C33 | H34 | 120.0° | 120.9° |
| C31 | C32 | H33 | H34 | 119.7° | 118.9° |
| C31 | C32 | C33 | C34 | 51.3° | 52.3° |
| C31 | C32 | C33 | H35 | 68.6° | 173.3° |
| C31 | C32 | C33 | H36 | 171.3° | 68.9° |
| H31 | C31 | C32 | C33 | 69.1° | 173.4° |
| H31 | C31 | C32 | H33 | 50.9° | 52.2° |
| H31 | C31 | C32 | H34 | 170.9° | 65.7° |
| H32 | C31 | C32 | C33 | 170.9° | 68.8° |
| H32 | C31 | C32 | H33 | 69.1° | 170.0° |
| H32 | C31 | C32 | H34 | 50.9° | 52.0° |
| C33 | C32 | H33 | H34 | 119.8° | 118.8° |
| C32 | C33 | C34 | H35 | 120.0° | 121.0° |
| C32 | C33 | C34 | H36 | 120.0° | 121.3° |
| C32 | C33 | H35 | H36 | 119.0° | 118.8° |
| C32 | C33 | C34 | H37 | 62.6° | 174.5° |
| C32 | C33 | C34 | H38 | 177.5° | 68.1° |
| H33 | C32 | C33 | C34 | 171.3° | 68.9° |
| H33 | C32 | C33 | H35 | 51.4° | 52.0° |
| H33 | C32 | C33 | H36 | 68.7° | 169.8° |
| H34 | C32 | C33 | C34 | 68.6° | 173.2° |
| H34 | C32 | C33 | H35 | 171.4° | 65.8° |
| H34 | C32 | C33 | H36 | 51.4° | 52.0° |
| C34 | C33 | H35 | H36 | 119.0° | 118.6° |
| C33 | C34 | H37 | H38 | 120.1° | 118.5° |
| H35 | C33 | C34 | H37 | 177.5° | 64.5° |
| H35 | C33 | C34 | H38 | 57.5° | 52.9° |
| H36 | C33 | C34 | H37 | 57.5° | 53.1° |
| H36 | C33 | C34 | H38 | 62.5° | 170.6° |
| O2 | CU1 | O1 | N1 | 177.6° | 160.5° |
| O2 | CU1 | O1 | N2 | 119.2° | 103.8° |
| O2 | CU1 | N1 | N2 | 47.2° | 97.7° |
| O1 | CU1 | N1 | N2 | 177.3° | 160.9° |
