4I7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C28 | doub | 1.21Å | 1.23Å | |
| C31 | C30 | sing | 1.50Å | 1.49Å | |
| C31 | C32 | doub | 1.29Å | 1.31Å | |
| C30 | C29 | sing | 1.52Å | 1.54Å | |
| C32 | C33 | sing | 1.50Å | 1.49Å | |
| C19 | N3 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C17 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.50Å | 1.52Å | |
| C28 | N2 | sing | 1.35Å | 1.40Å | |
| C20 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C22 | sing | 1.39Å | 1.40Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C29 | C34 | sing | 1.53Å | 1.54Å | |
| C17 | N2 | sing | 1.46Å | 1.50Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| N2 | N1 | sing | 1.40Å | 1.35Å | |
| C22 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.42Å | Aromatic |
| N5 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C34 | C16 | sing | 1.52Å | 1.51Å | |
| C23 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C23 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | N4 | doub | 1.31Å | 1.33Å | Aromatic |
| S1 | C24 | sing | 1.76Å | 1.72Å | Aromatic |
| C26 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.44Å | Aromatic |
| N1 | C16 | doub | 1.30Å | 1.29Å | |
| C24 | C25 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | C5 | sing | 1.47Å | 1.49Å | |
| F3 | C15 | sing | 1.40Å | 1.33Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| F1 | C15 | sing | 1.40Å | 1.33Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | F2 | sing | 1.40Å | 1.32Å | |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C28 | C29 | 121.9° | 121.0° |
| O3 | C28 | N2 | 121.8° | 121.0° |
| C30 | C31 | C32 | 123.7° | 123.7° |
| C31 | C30 | C29 | 112.9° | 111.4° |
| C31 | C30 | H26 | 108.6° | 109.1° |
| C31 | C30 | H27 | 108.6° | 109.1° |
| C30 | C31 | H28 | 118.1° | 118.2° |
| C31 | C32 | C33 | 123.6° | 124.3° |
| C32 | C31 | H28 | 118.1° | 118.1° |
| C31 | C32 | H29 | 118.2° | 117.9° |
| C30 | C29 | C28 | 115.4° | 112.1° |
| C30 | C29 | C34 | 111.1° | 110.8° |
| C30 | C29 | H25 | 106.7° | 107.9° |
| C29 | C30 | H26 | 108.6° | 109.1° |
| C29 | C30 | H27 | 108.6° | 109.1° |
| C32 | C33 | C34 | 113.3° | 111.2° |
| C32 | C33 | H12 | 108.5° | 109.1° |
| C32 | C33 | H13 | 108.5° | 109.0° |
| C33 | C32 | H29 | 118.2° | 117.8° |
| N3 | C19 | C18 | 112.7° | 109.5° |
| C19 | N3 | C20 | 114.0° | 111.2° |
| C19 | N3 | C22 | 125.3° | 111.0° |
| N3 | C19 | H17 | 108.7° | 109.5° |
| N3 | C19 | H18 | 108.6° | 109.5° |
| C19 | C18 | C17 | 111.7° | 109.3° |
| C19 | C18 | H15 | 108.9° | 109.5° |
| C19 | C18 | H16 | 108.9° | 109.5° |
| C18 | C19 | H17 | 108.6° | 109.5° |
| C18 | C19 | H18 | 108.7° | 109.4° |
| C20 | C21 | C17 | 110.6° | 109.3° |
| C21 | C20 | N3 | 112.4° | 109.5° |
| C21 | C20 | H19 | 108.7° | 109.5° |
| C21 | C20 | H20 | 108.7° | 109.4° |
| C20 | C21 | H21 | 109.2° | 109.5° |
| C20 | C21 | H22 | 109.2° | 109.5° |
| C21 | C17 | C18 | 110.6° | 109.2° |
| C21 | C17 | N2 | 114.7° | 109.5° |
| C21 | C17 | H14 | 105.4° | 109.5° |
| C17 | C21 | H21 | 109.2° | 109.5° |
| C17 | C21 | H22 | 109.2° | 109.5° |
| C29 | C28 | N2 | 116.3° | 118.1° |
| C28 | C29 | C34 | 109.7° | 108.6° |
| C28 | C29 | H25 | 106.8° | 108.7° |
| C28 | N2 | C17 | 129.8° | 120.1° |
| C28 | N2 | N1 | 122.9° | 119.7° |
| C20 | N3 | C22 | 120.6° | 111.0° |
| N3 | C20 | H19 | 108.7° | 109.4° |
| N3 | C20 | H20 | 108.7° | 109.5° |
| N3 | C22 | N5 | 115.7° | 120.6° |
| N3 | C22 | C23 | 127.1° | 120.5° |
| C18 | C17 | N2 | 114.2° | 109.5° |
| C18 | C17 | H14 | 105.4° | 109.5° |
| C17 | C18 | H15 | 108.9° | 109.5° |
| C17 | C18 | H16 | 108.9° | 109.5° |
| C29 | C34 | C33 | 112.0° | 108.7° |
| C29 | C34 | C16 | 108.3° | 107.0° |
| C34 | C29 | H25 | 106.6° | 108.7° |
| C29 | C34 | H30 | 108.7° | 111.0° |
| C17 | N2 | N1 | 107.1° | 120.2° |
| N2 | C17 | H14 | 105.6° | 109.6° |
| C33 | C34 | C16 | 109.4° | 107.2° |
| C34 | C33 | H12 | 108.5° | 109.2° |
| C34 | C33 | H13 | 108.5° | 109.1° |
| C33 | C34 | H30 | 109.2° | 111.0° |
| N2 | N1 | C16 | 121.0° | 121.3° |
| N5 | C22 | C23 | 117.2° | 118.9° |
| C22 | N5 | C27 | 120.0° | 120.8° |
| C22 | C23 | S1 | 130.0° | 131.7° |
| C22 | C23 | C26 | 119.4° | 118.8° |
| N5 | C27 | N4 | 126.7° | 122.5° |
| N5 | C27 | H24 | 116.7° | 118.7° |
| C34 | C16 | N1 | 122.7° | 119.2° |
| C34 | C16 | C5 | 121.1° | 120.4° |
| C16 | C34 | H30 | 109.2° | 111.8° |
| S1 | C23 | C26 | 110.6° | 109.5° |
| C23 | S1 | C24 | 91.1° | 91.5° |
| C23 | C26 | N4 | 121.3° | 117.8° |
| C23 | C26 | C25 | 112.2° | 112.5° |
| C27 | N4 | C26 | 115.5° | 121.2° |
| N4 | C27 | H24 | 116.7° | 118.7° |
| S1 | C24 | C25 | 113.6° | 110.7° |
| S1 | C24 | H23 | 123.2° | 124.6° |
| N4 | C26 | C25 | 126.5° | 129.7° |
| C26 | C25 | C24 | 111.8° | 115.8° |
| C26 | C25 | H11 | 124.1° | 122.1° |
| N1 | C16 | C5 | 116.1° | 120.4° |
| C24 | C25 | H11 | 124.1° | 122.1° |
| C25 | C24 | H23 | 123.2° | 124.7° |
| C16 | C5 | C4 | 124.7° | 120.1° |
| C16 | C5 | C6 | 116.1° | 120.1° |
| F3 | C15 | F1 | 106.4° | 109.5° |
| F3 | C15 | F2 | 106.1° | 109.5° |
| F3 | C15 | C14 | 112.8° | 109.4° |
| C4 | C5 | C6 | 119.2° | 119.8° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | H5 | 119.8° | 120.0° |
| C5 | C6 | C7 | 121.0° | 119.8° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| F1 | C15 | F2 | 105.0° | 109.5° |
| F1 | C15 | C14 | 112.3° | 109.4° |
| C4 | C3 | C2 | 120.6° | 120.2° |
| C4 | C3 | H4 | 119.7° | 119.9° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| F2 | C15 | C14 | 113.6° | 109.5° |
| C15 | C14 | C13 | 117.5° | 120.0° |
| C15 | C14 | C9 | 123.3° | 120.0° |
| C6 | C7 | C2 | 119.4° | 120.0° |
| C6 | C7 | O2 | 123.9° | 120.0° |
| C7 | C6 | H6 | 119.5° | 120.1° |
| C14 | C13 | C12 | 121.0° | 119.9° |
| C13 | C14 | C9 | 119.1° | 120.0° |
| C14 | C13 | H10 | 119.5° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C13 | C12 | H9 | 120.0° | 120.0° |
| C12 | C13 | H10 | 119.5° | 120.0° |
| C14 | C9 | C8 | 122.0° | 120.0° |
| C14 | C9 | C10 | 118.7° | 120.0° |
| C3 | C2 | C7 | 119.3° | 120.2° |
| C3 | C2 | O1 | 125.9° | 120.0° |
| C2 | C3 | H4 | 119.7° | 119.9° |
| C2 | C7 | O2 | 116.7° | 120.0° |
| C7 | C2 | O1 | 114.8° | 119.9° |
| C7 | O2 | C8 | 118.9° | 117.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H8 | 120.0° | 120.0° |
| C11 | C12 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | 119.4° | 120.0° |
| C9 | C8 | O2 | 110.9° | 109.4° |
| C9 | C8 | H31 | 109.1° | 109.5° |
| C9 | C8 | H32 | 109.1° | 109.5° |
| C9 | C10 | C11 | 121.3° | 120.0° |
| C9 | C10 | H7 | 119.3° | 120.0° |
| O2 | C8 | H31 | 109.1° | 109.5° |
| O2 | C8 | H32 | 109.1° | 109.5° |
| C2 | O1 | C1 | 119.2° | 117.0° |
| C11 | C10 | H7 | 119.4° | 120.1° |
| C10 | C11 | H8 | 120.0° | 119.9° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H12 | C33 | H13 | 109.5° | 109.1° |
| H15 | C18 | H16 | 109.4° | 109.6° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.1° |
| H31 | C8 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C28 | C29 | C30 | 19.2° | 20.9° |
| O3 | C28 | C29 | N2 | 177.5° | 180.0° |
| O3 | C28 | C29 | C34 | 145.6° | 143.7° |
| O3 | C28 | N2 | C17 | 9.4° | 3.9° |
| O3 | C28 | N2 | N1 | 176.0° | 176.2° |
| O3 | C28 | C29 | H25 | 99.2° | 98.3° |
| C30 | C31 | C32 | H28 | 180.0° | 179.9° |
| C31 | C30 | C29 | H26 | 120.5° | 120.4° |
| C31 | C30 | C29 | H27 | 120.5° | 120.5° |
| C30 | C31 | C32 | C33 | 13.0° | 1.1° |
| C31 | C30 | C29 | C28 | 87.0° | 75.7° |
| C31 | C30 | C29 | C34 | 38.7° | 45.8° |
| C31 | C30 | C29 | H25 | 154.5° | 164.7° |
| C31 | C30 | H26 | H27 | 118.4° | 119.0° |
| C30 | C31 | C32 | H29 | 167.0° | 179.0° |
| C32 | C31 | C30 | C29 | 5.1° | 15.2° |
| C31 | C32 | C33 | H29 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 5.3° | 17.9° |
| C31 | C32 | C33 | H12 | 115.2° | 102.6° |
| C31 | C32 | C33 | H13 | 125.9° | 138.3° |
| C32 | C31 | C30 | H26 | 115.5° | 135.7° |
| C32 | C31 | C30 | H27 | 125.6° | 105.3° |
| C30 | C29 | C28 | C34 | 126.4° | 122.7° |
| C30 | C29 | C28 | H25 | 118.4° | 119.2° |
| C30 | C29 | C28 | N2 | 163.3° | 159.1° |
| C30 | C29 | C34 | H25 | 115.9° | 118.4° |
| C30 | C29 | C34 | C33 | 56.4° | 62.9° |
| C30 | C29 | C34 | C16 | 177.2° | 178.3° |
| C29 | C30 | H26 | H27 | 118.4° | 119.1° |
| C29 | C30 | C31 | H28 | 174.9° | 164.9° |
| C30 | C29 | C34 | H30 | 64.3° | 59.5° |
| C32 | C33 | C34 | C29 | 39.5° | 47.2° |
| C32 | C33 | C34 | H12 | 120.6° | 120.5° |
| C32 | C33 | C34 | H13 | 120.6° | 120.3° |
| C32 | C33 | C34 | C16 | 159.7° | 162.4° |
| C32 | C33 | H12 | H13 | 118.2° | 119.0° |
| C33 | C32 | C31 | H28 | 167.0° | 179.0° |
| C32 | C33 | C34 | H30 | 80.9° | 75.2° |
| N3 | C19 | C18 | H17 | 120.5° | 120.0° |
| N3 | C19 | C18 | H18 | 120.5° | 120.0° |
| C19 | N3 | C20 | C21 | 22.7° | 61.8° |
| C19 | N3 | C20 | C22 | 175.6° | 124.1° |
| N3 | C19 | C18 | C17 | 30.8° | 59.2° |
| C19 | N3 | C22 | N5 | 160.1° | 12.5° |
| C19 | N3 | C22 | C23 | 19.7° | 167.3° |
| N3 | C19 | C18 | H15 | 89.5° | 179.1° |
| N3 | C19 | C18 | H16 | 151.2° | 60.7° |
| N3 | C19 | H17 | H18 | 118.5° | 120.0° |
| C19 | N3 | C20 | H19 | 143.2° | 178.2° |
| C19 | N3 | C20 | H20 | 97.7° | 58.2° |
| C19 | C18 | C17 | C21 | 28.1° | 57.7° |
| C18 | C19 | N3 | C20 | 59.4° | 61.8° |
| C18 | C19 | N3 | C22 | 125.3° | 174.1° |
| C19 | C18 | C17 | H15 | 120.3° | 119.9° |
| C19 | C18 | C17 | H16 | 120.4° | 119.9° |
| C19 | C18 | C17 | N2 | 159.3° | 62.2° |
| C19 | C18 | C17 | H14 | 85.3° | 177.6° |
| C19 | C18 | H15 | H16 | 119.0° | 120.1° |
| C18 | C19 | H17 | H18 | 118.5° | 120.0° |
| C20 | C21 | C17 | H21 | 120.2° | 120.0° |
| C20 | C21 | C17 | H22 | 120.1° | 119.9° |
| C21 | C20 | N3 | H19 | 120.5° | 120.0° |
| C21 | C20 | N3 | H20 | 120.4° | 120.0° |
| C21 | C20 | N3 | C22 | 161.7° | 174.2° |
| C20 | C21 | C17 | C18 | 64.3° | 57.7° |
| C20 | C21 | C17 | N2 | 164.8° | 62.2° |
| C20 | C21 | C17 | H14 | 49.1° | 177.6° |
| C21 | C20 | H19 | H20 | 118.6° | 120.0° |
| C20 | C21 | H21 | H22 | 119.5° | 120.0° |
| C21 | C17 | N2 | C28 | 27.5° | 120.7° |
| C17 | C21 | C20 | N3 | 37.3° | 59.2° |
| C21 | C17 | C18 | N2 | 131.2° | 119.9° |
| C21 | C17 | C18 | H14 | 113.4° | 119.9° |
| C21 | C17 | N2 | H14 | 115.6° | 120.1° |
| C21 | C17 | N2 | N1 | 147.8° | 59.2° |
| C21 | C17 | C18 | H15 | 148.4° | 177.6° |
| C21 | C17 | C18 | H16 | 92.3° | 62.2° |
| C17 | C21 | C20 | H19 | 83.2° | 179.2° |
| C17 | C21 | C20 | H20 | 157.7° | 60.8° |
| C17 | C21 | H21 | H22 | 119.5° | 120.1° |
| C28 | C29 | C34 | H25 | 115.3° | 118.1° |
| C29 | C28 | N2 | C17 | 168.1° | 176.1° |
| C28 | C29 | C34 | C33 | 72.4° | 60.6° |
| C29 | C28 | N2 | N1 | 6.5° | 3.8° |
| C28 | C29 | C34 | C16 | 48.4° | 54.8° |
| C28 | C29 | C30 | H26 | 152.5° | 44.8° |
| C28 | C29 | C30 | H27 | 33.5° | 163.9° |
| C28 | C29 | C34 | H30 | 166.9° | 177.0° |
| C28 | N2 | C17 | C18 | 101.6° | 119.6° |
| N2 | C28 | C29 | C34 | 36.9° | 36.3° |
| C28 | N2 | C17 | N1 | 175.3° | 179.9° |
| C28 | N2 | N1 | C16 | 11.4° | 24.9° |
| C28 | N2 | C17 | H14 | 143.1° | 0.6° |
| N2 | C28 | C29 | H25 | 78.3° | 81.8° |
| C20 | N3 | C22 | N5 | 14.9° | 111.6° |
| C20 | N3 | C22 | C23 | 165.3° | 68.6° |
| C20 | N3 | C19 | H17 | 179.8° | 58.3° |
| C20 | N3 | C19 | H18 | 61.2° | 178.3° |
| N3 | C20 | H19 | H20 | 118.6° | 120.0° |
| N3 | C20 | C21 | H21 | 82.9° | 60.8° |
| N3 | C20 | C21 | H22 | 157.4° | 179.1° |
| N3 | C22 | N5 | C23 | 179.8° | 179.8° |
| N3 | C22 | N5 | C27 | 179.9° | 179.7° |
| N3 | C22 | C23 | S1 | 0.5° | 0.3° |
| N3 | C22 | C23 | C26 | 179.9° | 179.7° |
| C22 | N3 | C19 | H17 | 4.8° | 65.8° |
| C22 | N3 | C19 | H18 | 114.2° | 54.2° |
| C22 | N3 | C20 | H19 | 41.2° | 54.2° |
| C22 | N3 | C20 | H20 | 77.9° | 65.8° |
| C18 | C17 | N2 | H14 | 115.3° | 120.1° |
| C18 | C17 | N2 | N1 | 83.1° | 60.5° |
| C17 | C18 | H15 | H16 | 119.0° | 120.1° |
| C17 | C18 | C19 | H17 | 151.3° | 60.8° |
| C17 | C18 | C19 | H18 | 89.7° | 179.2° |
| C18 | C17 | C21 | H21 | 55.9° | 62.2° |
| C18 | C17 | C21 | H22 | 175.6° | 177.6° |
| C29 | C34 | C33 | C16 | 120.2° | 115.3° |
| C29 | C34 | C33 | H30 | 120.4° | 122.4° |
| C29 | C34 | C16 | H30 | 118.2° | 121.7° |
| C29 | C34 | C16 | N1 | 35.9° | 39.4° |
| C29 | C34 | C16 | C5 | 147.9° | 140.6° |
| C29 | C34 | C33 | H12 | 81.1° | 73.3° |
| C29 | C34 | C33 | H13 | 160.1° | 167.5° |
| C34 | C29 | C30 | H26 | 81.9° | 166.3° |
| C34 | C29 | C30 | H27 | 159.2° | 74.7° |
| C17 | N2 | N1 | C16 | 172.9° | 155.0° |
| N2 | C17 | C18 | H15 | 80.4° | 57.7° |
| N2 | C17 | C18 | H16 | 38.9° | 177.8° |
| N2 | C17 | C21 | H21 | 75.0° | 177.9° |
| N2 | C17 | C21 | H22 | 44.7° | 57.7° |
| C33 | C34 | C16 | H30 | 119.4° | 121.9° |
| C33 | C34 | C16 | N1 | 86.4° | 76.9° |
| C33 | C34 | C16 | C5 | 89.7° | 103.0° |
| C34 | C33 | H12 | H13 | 118.2° | 119.2° |
| C33 | C34 | C29 | H25 | 172.3° | 178.7° |
| C34 | C33 | C32 | H29 | 174.7° | 162.2° |
| N2 | N1 | C16 | C34 | 5.3° | 0.5° |
| N2 | N1 | C16 | C5 | 178.4° | 179.5° |
| N1 | N2 | C17 | H14 | 32.2° | 179.3° |
| N5 | C22 | C23 | S1 | 179.7° | 179.9° |
| N5 | C22 | C23 | C26 | 0.3° | 0.1° |
| C22 | N5 | C27 | N4 | 0.1° | 0.1° |
| C22 | N5 | C27 | H24 | 179.9° | 179.9° |
| C23 | C22 | N5 | C27 | 0.2° | 0.1° |
| C22 | C23 | S1 | C26 | 179.5° | 180.0° |
| C22 | C23 | S1 | C24 | 176.5° | 180.0° |
| C22 | C23 | C26 | N4 | 0.2° | 0.0° |
| C22 | C23 | C26 | C25 | 179.6° | 180.0° |
| N5 | C27 | N4 | H24 | 180.0° | 180.0° |
| N5 | C27 | N4 | C26 | 0.1° | 0.1° |
| C34 | C16 | N1 | C5 | 176.3° | 179.9° |
| C34 | C16 | C5 | C4 | 2.8° | 172.2° |
| C34 | C16 | C5 | C6 | 178.9° | 7.8° |
| C16 | C34 | C33 | H12 | 39.1° | 42.0° |
| C16 | C34 | C33 | H13 | 79.7° | 77.2° |
| C16 | C34 | C29 | H25 | 66.9° | 63.3° |
| S1 | C23 | C26 | N4 | 179.7° | 180.0° |
| S1 | C23 | C26 | C25 | 0.1° | 0.0° |
| C23 | S1 | C24 | C25 | 7.5° | 0.1° |
| C23 | S1 | C24 | H23 | 172.5° | 180.0° |
| C23 | C26 | N4 | C27 | 0.0° | 0.0° |
| C26 | C23 | S1 | C24 | 4.1° | 0.0° |
| C23 | C26 | N4 | C25 | 179.7° | 180.0° |
| C23 | C26 | C25 | C24 | 5.4° | 0.0° |
| C23 | C26 | C25 | H11 | 174.6° | 180.0° |
| C27 | N4 | C26 | C25 | 179.8° | 180.0° |
| S1 | C24 | C25 | C26 | 8.7° | 0.0° |
| S1 | C24 | C25 | H23 | 180.0° | 179.9° |
| S1 | C24 | C25 | H11 | 171.4° | 179.9° |
| N4 | C26 | C25 | C24 | 174.8° | 180.0° |
| N4 | C26 | C25 | H11 | 5.2° | 0.0° |
| C26 | N4 | C27 | H24 | 179.9° | 180.0° |
| C26 | C25 | C24 | H11 | 180.0° | 180.0° |
| C26 | C25 | C24 | H23 | 171.3° | 180.0° |
| N1 | C16 | C5 | C4 | 173.6° | 7.8° |
| N1 | C16 | C5 | C6 | 4.7° | 172.1° |
| N1 | C16 | C34 | H30 | 154.2° | 161.2° |
| C16 | C5 | C4 | C6 | 178.2° | 179.9° |
| C16 | C5 | C4 | C3 | 178.6° | 180.0° |
| C16 | C5 | C6 | C7 | 178.3° | 179.8° |
| C16 | C5 | C4 | H5 | 1.4° | 0.0° |
| C16 | C5 | C6 | H6 | 1.7° | 0.0° |
| C5 | C16 | C34 | H30 | 29.7° | 18.9° |
| F3 | C15 | F1 | F2 | 112.2° | 120.0° |
| F3 | C15 | F1 | C14 | 123.9° | 119.9° |
| F3 | C15 | F2 | C14 | 124.5° | 119.9° |
| F3 | C15 | C14 | C13 | 104.9° | 123.9° |
| F3 | C15 | C14 | C9 | 74.6° | 56.7° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H4 | 179.7° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C2 | 0.5° | 0.5° |
| C5 | C6 | C7 | O2 | 179.8° | 180.0° |
| C6 | C5 | C4 | H5 | 179.6° | 180.0° |
| F1 | C15 | F2 | C14 | 123.0° | 120.0° |
| F1 | C15 | C14 | C13 | 15.3° | 116.1° |
| F1 | C15 | C14 | C9 | 165.1° | 63.3° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 0.1° | 0.2° |
| C4 | C3 | C2 | O1 | 179.5° | 180.0° |
| F2 | C15 | C14 | C13 | 134.2° | 3.9° |
| F2 | C15 | C14 | C9 | 46.2° | 176.7° |
| C15 | C14 | C13 | C9 | 179.6° | 179.4° |
| C15 | C14 | C13 | C12 | 179.7° | 180.0° |
| C15 | C14 | C9 | C8 | 0.5° | 0.2° |
| C15 | C14 | C9 | C10 | 179.9° | 180.0° |
| C15 | C14 | C13 | H10 | 0.3° | 0.6° |
| C6 | C7 | C2 | C3 | 0.5° | 0.5° |
| C6 | C7 | C2 | O2 | 179.3° | 179.5° |
| C6 | C7 | O2 | C8 | 21.0° | 5.1° |
| C6 | C7 | C2 | O1 | 180.0° | 179.7° |
| C14 | C13 | C12 | H10 | 180.0° | 179.5° |
| C14 | C13 | C12 | C11 | 0.5° | 0.3° |
| C13 | C14 | C9 | C8 | 179.9° | 179.6° |
| C13 | C14 | C9 | C10 | 0.4° | 0.6° |
| C14 | C13 | C12 | H9 | 179.5° | 179.7° |
| C12 | C13 | C14 | C9 | 0.7° | 0.6° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C13 | C12 | C11 | H8 | 179.9° | 180.0° |
| C14 | C9 | C8 | C10 | 179.6° | 179.8° |
| C14 | C9 | C8 | O2 | 166.4° | 176.4° |
| C14 | C9 | C10 | C11 | 0.2° | 0.3° |
| C14 | C9 | C10 | H7 | 179.8° | 179.7° |
| C9 | C14 | C13 | H10 | 179.3° | 180.0° |
| C14 | C9 | C8 | H31 | 73.4° | 56.3° |
| C14 | C9 | C8 | H32 | 46.2° | 63.7° |
| C3 | C2 | C7 | O1 | 179.5° | 179.8° |
| C3 | C2 | C7 | O2 | 179.9° | 180.0° |
| C3 | C2 | O1 | C1 | 14.7° | 0.0° |
| C2 | C3 | C4 | H5 | 179.7° | 180.0° |
| C2 | C7 | O2 | C8 | 159.7° | 175.4° |
| C7 | C2 | O1 | C1 | 165.8° | 179.8° |
| C7 | C2 | C3 | H4 | 179.9° | 179.8° |
| C2 | C7 | C6 | H6 | 179.5° | 179.7° |
| C7 | O2 | C8 | C9 | 94.0° | 177.0° |
| O2 | C7 | C2 | O1 | 0.6° | 0.2° |
| O2 | C7 | C6 | H6 | 0.2° | 0.2° |
| C7 | O2 | C8 | H31 | 145.8° | 63.0° |
| C7 | O2 | C8 | H32 | 26.2° | 57.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | H7 | 179.6° | 180.0° |
| C11 | C12 | C13 | H10 | 179.5° | 179.7° |
| C9 | C8 | O2 | H31 | 120.2° | 120.0° |
| C9 | C8 | O2 | H32 | 120.2° | 120.0° |
| C8 | C9 | C10 | C11 | 179.4° | 179.9° |
| C8 | C9 | C10 | H7 | 0.6° | 0.1° |
| C9 | C8 | H31 | H32 | 119.4° | 120.0° |
| C10 | C9 | C8 | O2 | 14.0° | 3.8° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | H8 | 179.6° | 180.0° |
| C10 | C9 | C8 | H31 | 106.2° | 123.9° |
| C10 | C9 | C8 | H32 | 134.2° | 116.1° |
| O2 | C8 | H31 | H32 | 119.4° | 120.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H4 | 0.5° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.4° | 0.0° |
| H7 | C10 | C11 | H8 | 0.4° | 0.0° |
| H8 | C11 | C12 | H9 | 0.1° | 0.0° |
| H9 | C12 | C13 | H10 | 0.5° | 0.3° |
| H11 | C25 | C24 | H23 | 8.7° | 0.0° |
| H12 | C33 | C32 | H29 | 64.8° | 77.3° |
| H12 | C33 | C34 | H30 | 158.5° | 164.3° |
| H13 | C33 | C32 | H29 | 54.1° | 41.7° |
| H13 | C33 | C34 | H30 | 39.7° | 45.1° |
| H14 | C17 | C18 | H15 | 35.1° | 62.5° |
| H14 | C17 | C18 | H16 | 154.4° | 57.7° |
| H14 | C17 | C21 | H21 | 169.3° | 57.7° |
| H14 | C17 | C21 | H22 | 71.0° | 62.5° |
| H15 | C18 | C19 | H17 | 31.0° | 59.1° |
| H15 | C18 | C19 | H18 | 150.0° | 60.9° |
| H16 | C18 | C19 | H17 | 88.3° | 179.2° |
| H16 | C18 | C19 | H18 | 30.7° | 59.2° |
| H19 | C20 | C21 | H21 | 156.6° | 59.2° |
| H19 | C20 | C21 | H22 | 37.0° | 60.9° |
| H20 | C20 | C21 | H21 | 37.5° | 179.2° |
| H20 | C20 | C21 | H22 | 82.1° | 59.1° |
| H25 | C29 | C30 | H26 | 34.0° | 74.8° |
| H25 | C29 | C30 | H27 | 85.0° | 44.2° |
| H25 | C29 | C34 | H30 | 51.6° | 58.9° |
| H26 | C30 | C31 | H28 | 64.5° | 44.4° |
| H27 | C30 | C31 | H28 | 54.4° | 74.6° |
| H28 | C31 | C32 | H29 | 13.0° | 0.9° |
