3E4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C23 | sing | 1.47Å | 1.43Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.48Å | |
| C25 | C20 | sing | 1.53Å | 1.50Å | |
| C26 | C5 | sing | 1.51Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| C20 | N4 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| N4 | C12 | sing | 1.38Å | 1.28Å | |
| O2 | S1 | doub | 1.42Å | 1.45Å | |
| C6 | C1 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | N2 | doub | 1.32Å | 1.29Å | Aromatic |
| C12 | N3 | sing | 1.33Å | 1.31Å | Aromatic |
| N2 | C11 | sing | 1.33Å | 1.29Å | Aromatic |
| O1 | C19 | sing | 1.36Å | 1.34Å | |
| O1 | C4 | sing | 1.36Å | 1.32Å | |
| N3 | C15 | doub | 1.32Å | 1.29Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.38Å | |
| C11 | C13 | doub | 1.40Å | 1.37Å | Aromatic |
| C14 | C19 | doub | 1.40Å | 1.37Å | Aromatic |
| C14 | C16 | sing | 1.40Å | 1.36Å | Aromatic |
| C19 | N5 | sing | 1.32Å | 1.30Å | Aromatic |
| N5 | C18 | doub | 1.32Å | 1.30Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.35Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.35Å | Aromatic |
| O3 | S1 | doub | 1.42Å | 1.41Å | |
| S1 | N1 | sing | 1.66Å | 1.61Å | |
| S1 | C27 | sing | 1.76Å | 1.65Å | |
| C1 | N1 | sing | 1.40Å | 1.30Å | |
| C1 | C2 | doub | 1.41Å | 1.37Å | Aromatic |
| C32 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.36Å | Aromatic |
| C3 | C10 | sing | 1.41Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.37Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C28 | CL1 | sing | 1.74Å | 1.68Å | |
| C28 | C29 | doub | 1.38Å | 1.35Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.36Å | Aromatic |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 1.01Å | 1.00Å | |
| N6 | H7 | sing | 1.01Å | 1.00Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å | |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å | |
| C7 | H27 | sing | 1.08Å | 1.08Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C23 | C24 | 108.2° | 109.5° |
| N6 | C23 | C22 | 108.6° | 109.5° |
| N6 | C23 | H5 | 110.0° | 109.5° |
| C23 | N6 | H6 | 109.5° | 111.0° |
| C23 | N6 | H7 | 109.5° | 111.0° |
| C23 | C24 | C25 | 113.6° | 109.5° |
| C24 | C23 | C22 | 111.7° | 109.5° |
| C24 | C23 | H5 | 109.0° | 109.5° |
| C23 | C24 | H9 | 108.4° | 109.5° |
| C23 | C24 | H10 | 108.4° | 109.5° |
| C24 | C25 | C20 | 111.6° | 109.5° |
| C25 | C24 | H9 | 108.4° | 109.4° |
| C25 | C24 | H10 | 108.4° | 109.4° |
| C24 | C25 | H11 | 109.0° | 109.5° |
| C24 | C25 | H12 | 108.9° | 109.5° |
| C23 | C22 | C21 | 110.3° | 109.5° |
| C23 | C22 | H3 | 109.3° | 109.5° |
| C23 | C22 | H4 | 109.3° | 109.5° |
| C22 | C23 | H5 | 109.3° | 109.5° |
| C25 | C20 | C21 | 107.4° | 109.5° |
| C25 | C20 | N4 | 112.3° | 109.5° |
| C20 | C25 | H11 | 108.9° | 109.5° |
| C20 | C25 | H12 | 109.0° | 109.4° |
| C25 | C20 | H13 | 109.1° | 109.4° |
| C26 | C5 | C6 | 117.4° | 119.6° |
| C26 | C5 | C4 | 122.1° | 119.6° |
| C5 | C26 | H20 | 109.5° | 109.5° |
| C5 | C26 | H21 | 109.5° | 109.4° |
| C5 | C26 | H22 | 109.5° | 109.5° |
| C22 | C21 | C20 | 111.4° | 109.5° |
| C22 | C21 | H1 | 109.0° | 109.4° |
| C22 | C21 | H2 | 109.0° | 109.4° |
| C21 | C22 | H3 | 109.3° | 109.4° |
| C21 | C22 | H4 | 109.3° | 109.5° |
| C21 | C20 | N4 | 108.9° | 109.5° |
| C20 | C21 | H1 | 109.0° | 109.5° |
| C20 | C21 | H2 | 109.0° | 109.5° |
| C21 | C20 | H13 | 109.3° | 109.5° |
| C20 | N4 | C12 | 122.7° | 120.0° |
| N4 | C20 | H13 | 109.9° | 109.4° |
| C20 | N4 | H14 | 106.1° | 120.0° |
| C6 | C5 | C4 | 120.4° | 120.8° |
| C5 | C6 | C1 | 120.7° | 120.8° |
| C5 | C6 | H23 | 119.7° | 119.6° |
| C5 | C4 | O1 | 121.7° | 120.1° |
| C5 | C4 | C3 | 118.9° | 119.8° |
| N4 | C12 | N2 | 119.5° | 119.2° |
| N4 | C12 | N3 | 119.6° | 119.2° |
| C12 | N4 | H14 | 106.1° | 120.0° |
| O2 | S1 | O3 | 113.1° | 123.2° |
| O2 | S1 | N1 | 113.9° | 106.4° |
| O2 | S1 | C27 | 99.0° | 106.4° |
| C6 | C1 | N1 | 118.9° | 120.2° |
| C6 | C1 | C2 | 119.0° | 119.7° |
| C1 | C6 | H23 | 119.7° | 119.6° |
| N2 | C12 | N3 | 120.8° | 121.7° |
| C12 | N2 | C11 | 121.7° | 120.6° |
| C12 | N3 | C15 | 121.5° | 121.0° |
| N2 | C11 | C14 | 117.1° | 120.5° |
| N2 | C11 | C13 | 118.5° | 119.0° |
| C19 | O1 | C4 | 124.4° | 117.9° |
| O1 | C19 | C14 | 120.2° | 119.7° |
| O1 | C19 | N5 | 121.6° | 119.8° |
| O1 | C4 | C3 | 119.3° | 120.1° |
| N3 | C15 | C13 | 118.5° | 119.3° |
| N3 | C15 | H15 | 120.7° | 120.3° |
| C14 | C11 | C13 | 124.3° | 120.5° |
| C11 | C14 | C19 | 124.5° | 120.6° |
| C11 | C14 | C16 | 115.7° | 120.6° |
| C11 | C13 | C15 | 118.9° | 118.4° |
| C11 | C13 | H16 | 120.6° | 120.8° |
| C19 | C14 | C16 | 119.7° | 118.8° |
| C14 | C19 | N5 | 118.2° | 120.5° |
| C14 | C16 | C17 | 120.0° | 118.3° |
| C14 | C16 | H17 | 120.0° | 120.8° |
| C19 | N5 | C18 | 122.8° | 121.8° |
| N5 | C18 | C17 | 122.0° | 121.1° |
| N5 | C18 | H19 | 119.0° | 119.5° |
| C16 | C17 | C18 | 117.2° | 119.4° |
| C17 | C16 | H17 | 120.0° | 120.8° |
| C16 | C17 | H18 | 121.4° | 120.3° |
| C13 | C15 | H15 | 120.7° | 120.4° |
| C15 | C13 | H16 | 120.5° | 120.8° |
| C18 | C17 | H18 | 121.4° | 120.3° |
| C17 | C18 | H19 | 119.0° | 119.4° |
| C4 | C3 | C2 | 121.2° | 119.5° |
| C4 | C3 | C10 | 119.2° | 121.2° |
| O3 | S1 | N1 | 106.9° | 106.4° |
| O3 | S1 | C27 | 108.8° | 106.4° |
| N1 | S1 | C27 | 115.1° | 107.2° |
| S1 | N1 | C1 | 120.7° | 120.0° |
| S1 | N1 | H28 | 106.6° | 120.0° |
| S1 | C27 | C32 | 113.7° | 120.0° |
| S1 | C27 | C28 | 126.6° | 120.0° |
| N1 | C1 | C2 | 122.1° | 120.2° |
| C1 | N1 | H28 | 106.6° | 120.0° |
| C1 | C2 | C3 | 119.7° | 119.4° |
| C1 | C2 | C7 | 120.5° | 121.2° |
| C27 | C32 | C31 | 118.5° | 120.0° |
| C32 | C27 | C28 | 119.6° | 120.0° |
| C27 | C32 | H29 | 120.8° | 120.0° |
| C32 | C31 | C30 | 121.0° | 120.0° |
| C31 | C32 | H29 | 120.8° | 120.0° |
| C32 | C31 | H30 | 119.5° | 120.0° |
| C2 | C3 | C10 | 119.6° | 119.4° |
| C3 | C2 | C7 | 119.8° | 119.4° |
| C3 | C10 | C9 | 121.1° | 119.7° |
| C3 | C10 | H24 | 119.4° | 120.2° |
| C27 | C28 | CL1 | 123.1° | 120.0° |
| C27 | C28 | C29 | 121.8° | 120.0° |
| C2 | C7 | C8 | 120.5° | 119.7° |
| C2 | C7 | H27 | 119.7° | 120.2° |
| C31 | C30 | C29 | 120.5° | 120.0° |
| C30 | C31 | H30 | 119.5° | 120.0° |
| C31 | C30 | H31 | 119.8° | 120.0° |
| C10 | C9 | C8 | 119.4° | 120.9° |
| C9 | C10 | H24 | 119.4° | 120.2° |
| C10 | C9 | H25 | 120.3° | 119.5° |
| CL1 | C28 | C29 | 115.1° | 120.0° |
| C28 | C29 | C30 | 118.6° | 120.0° |
| C28 | C29 | H32 | 120.7° | 120.0° |
| C7 | C8 | C9 | 119.6° | 121.0° |
| C7 | C8 | H26 | 120.2° | 119.5° |
| C8 | C7 | H27 | 119.8° | 120.1° |
| C29 | C30 | H31 | 119.7° | 120.0° |
| C30 | C29 | H32 | 120.7° | 120.1° |
| C8 | C9 | H25 | 120.3° | 119.5° |
| C9 | C8 | H26 | 120.2° | 119.5° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H6 | N6 | H7 | 109.5° | 111.0° |
| H9 | C24 | H10 | 109.4° | 109.5° |
| H11 | C25 | H12 | 109.4° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.5° |
| H20 | C26 | H22 | 109.4° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C23 | C24 | C22 | 119.5° | 120.0° |
| N6 | C23 | C24 | H5 | 119.6° | 120.0° |
| N6 | C23 | C24 | C25 | 168.4° | 180.0° |
| N6 | C23 | C22 | H5 | 120.1° | 120.0° |
| N6 | C23 | C22 | C21 | 171.6° | 180.0° |
| N6 | C23 | C22 | H3 | 68.3° | 60.1° |
| N6 | C23 | C22 | H4 | 51.5° | 60.0° |
| C23 | N6 | H6 | H7 | 120.0° | 123.9° |
| N6 | C23 | C24 | H9 | 47.8° | 60.0° |
| N6 | C23 | C24 | H10 | 70.9° | 60.0° |
| C23 | C24 | C25 | H9 | 120.6° | 120.0° |
| C23 | C24 | C25 | H10 | 120.6° | 120.0° |
| C24 | C23 | C22 | H5 | 120.7° | 120.0° |
| C23 | C24 | C25 | C20 | 51.8° | 59.9° |
| C24 | C23 | C22 | C21 | 52.4° | 60.0° |
| C24 | C23 | C22 | H3 | 172.5° | 60.0° |
| C24 | C23 | C22 | H4 | 67.7° | 180.0° |
| C24 | C23 | N6 | H6 | 180.0° | 60.0° |
| C24 | C23 | N6 | H7 | 60.0° | 63.9° |
| C23 | C24 | H9 | H10 | 118.1° | 120.1° |
| C23 | C24 | C25 | H11 | 172.2° | 180.0° |
| C23 | C24 | C25 | H12 | 68.5° | 60.0° |
| C25 | C24 | C23 | C22 | 48.9° | 60.0° |
| C24 | C25 | C20 | H11 | 120.3° | 120.0° |
| C24 | C25 | C20 | H12 | 120.3° | 120.0° |
| C24 | C25 | C20 | C21 | 57.1° | 60.0° |
| C24 | C25 | C20 | N4 | 176.8° | 180.0° |
| C25 | C24 | C23 | H5 | 72.0° | 60.0° |
| C25 | C24 | H9 | H10 | 118.1° | 120.0° |
| C24 | C25 | H11 | H12 | 119.0° | 120.0° |
| C24 | C25 | C20 | H13 | 61.1° | 60.0° |
| C23 | C22 | C21 | H3 | 120.1° | 120.0° |
| C23 | C22 | C21 | H4 | 120.1° | 120.1° |
| C23 | C22 | C21 | C20 | 61.3° | 60.0° |
| C23 | C22 | C21 | H1 | 59.0° | 60.0° |
| C23 | C22 | C21 | H2 | 178.5° | 180.0° |
| C23 | C22 | H3 | H4 | 119.6° | 120.0° |
| C22 | C23 | N6 | H6 | 58.6° | 180.0° |
| C22 | C23 | N6 | H7 | 178.6° | 56.1° |
| C22 | C23 | C24 | H9 | 71.7° | 60.0° |
| C22 | C23 | C24 | H10 | 169.6° | 180.0° |
| C25 | C20 | C21 | C22 | 62.6° | 60.0° |
| C25 | C20 | C21 | N4 | 121.8° | 120.0° |
| C25 | C20 | C21 | H13 | 118.1° | 120.0° |
| C25 | C20 | N4 | H13 | 121.6° | 119.9° |
| C25 | C20 | N4 | C12 | 77.8° | 155.0° |
| C25 | C20 | C21 | H1 | 57.7° | 60.0° |
| C25 | C20 | C21 | H2 | 177.1° | 180.0° |
| C20 | C25 | C24 | H9 | 68.8° | 60.1° |
| C20 | C25 | C24 | H10 | 172.5° | 180.0° |
| C20 | C25 | H11 | H12 | 119.0° | 120.0° |
| C25 | C20 | N4 | H14 | 44.0° | 25.1° |
| C26 | C5 | C6 | C4 | 176.9° | 180.0° |
| C26 | C5 | C6 | C1 | 179.9° | 180.0° |
| C26 | C5 | C4 | O1 | 3.7° | 0.0° |
| C26 | C5 | C4 | C3 | 179.5° | 179.7° |
| C5 | C26 | H20 | H21 | 120.0° | 119.9° |
| C5 | C26 | H20 | H22 | 120.0° | 120.0° |
| C5 | C26 | H21 | H22 | 120.0° | 120.0° |
| C26 | C5 | C6 | H23 | 0.1° | 0.0° |
| C22 | C21 | C20 | H1 | 120.3° | 120.0° |
| C22 | C21 | C20 | H2 | 120.3° | 120.0° |
| C22 | C21 | C20 | N4 | 175.6° | 180.0° |
| C22 | C21 | H1 | H2 | 119.1° | 120.0° |
| C21 | C22 | H3 | H4 | 119.7° | 120.0° |
| C21 | C22 | C23 | H5 | 68.3° | 60.0° |
| C22 | C21 | C20 | H13 | 55.5° | 60.0° |
| C21 | C20 | N4 | H13 | 119.7° | 120.0° |
| C21 | C20 | N4 | C12 | 163.4° | 85.0° |
| C20 | C21 | H1 | H2 | 119.1° | 120.0° |
| C20 | C21 | C22 | H3 | 178.6° | 60.0° |
| C20 | C21 | C22 | H4 | 58.8° | 180.0° |
| C21 | C20 | C25 | H11 | 177.5° | 180.0° |
| C21 | C20 | C25 | H12 | 63.2° | 60.0° |
| C21 | C20 | N4 | H14 | 74.8° | 94.9° |
| C20 | N4 | C12 | H14 | 121.8° | 179.9° |
| C20 | N4 | C12 | N2 | 23.4° | 180.0° |
| C20 | N4 | C12 | N3 | 156.8° | 0.2° |
| N4 | C20 | C21 | H1 | 64.1° | 60.0° |
| N4 | C20 | C21 | H2 | 55.3° | 60.0° |
| N4 | C20 | C25 | H11 | 62.9° | 59.9° |
| N4 | C20 | C25 | H12 | 56.5° | 60.1° |
| C5 | C6 | C1 | H23 | 180.0° | 180.0° |
| C6 | C5 | C4 | O1 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 3.8° | 0.3° |
| C5 | C6 | C1 | N1 | 177.9° | 180.0° |
| C5 | C6 | C1 | C2 | 1.1° | 0.2° |
| C6 | C5 | C26 | H20 | 88.5° | 90.0° |
| C6 | C5 | C26 | H21 | 151.5° | 150.1° |
| C6 | C5 | C26 | H22 | 31.4° | 30.0° |
| C4 | C5 | C6 | C1 | 3.0° | 0.1° |
| C5 | C4 | O1 | C19 | 94.1° | 89.7° |
| C5 | C4 | O1 | C3 | 175.8° | 179.7° |
| C5 | C4 | C3 | C2 | 2.7° | 0.4° |
| C5 | C4 | C3 | C10 | 178.5° | 179.7° |
| C4 | C5 | C26 | H20 | 88.3° | 90.0° |
| C4 | C5 | C26 | H21 | 31.7° | 30.0° |
| C4 | C5 | C26 | H22 | 151.7° | 150.0° |
| C4 | C5 | C6 | H23 | 177.0° | 180.0° |
| N4 | C12 | N2 | N3 | 179.8° | 179.7° |
| N4 | C12 | N2 | C11 | 179.6° | 180.0° |
| N4 | C12 | N3 | C15 | 179.5° | 180.0° |
| C12 | N4 | C20 | H13 | 43.8° | 35.0° |
| O2 | S1 | O3 | N1 | 126.1° | 123.0° |
| O2 | S1 | O3 | C27 | 109.0° | 123.0° |
| O2 | S1 | N1 | C27 | 113.4° | 113.5° |
| O2 | S1 | N1 | C1 | 18.5° | 45.7° |
| O2 | S1 | C27 | C32 | 10.2° | 3.1° |
| O2 | S1 | C27 | C28 | 169.8° | 177.1° |
| O2 | S1 | N1 | H28 | 103.1° | 134.2° |
| C6 | C1 | N1 | S1 | 70.3° | 35.3° |
| C6 | C1 | N1 | C2 | 179.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.0° | 0.2° |
| C6 | C1 | C2 | C7 | 179.8° | 179.7° |
| C6 | C1 | N1 | H28 | 51.3° | 144.7° |
| N2 | C12 | N3 | C15 | 0.8° | 0.3° |
| C12 | N2 | C11 | C14 | 178.0° | 180.0° |
| C12 | N2 | C11 | C13 | 0.9° | 0.0° |
| N2 | C12 | N4 | H14 | 145.2° | 0.1° |
| N3 | C12 | N2 | C11 | 0.7° | 0.2° |
| C12 | N3 | C15 | C13 | 1.0° | 0.0° |
| N3 | C12 | N4 | H14 | 35.0° | 179.7° |
| C12 | N3 | C15 | H15 | 178.9° | 180.0° |
| N2 | C11 | C14 | C13 | 176.9° | 180.0° |
| N2 | C11 | C14 | C19 | 167.7° | 0.0° |
| N2 | C11 | C14 | C16 | 15.5° | 179.7° |
| N2 | C11 | C13 | C15 | 1.1° | 0.2° |
| N2 | C11 | C13 | H16 | 178.9° | 179.9° |
| O1 | C19 | C14 | C11 | 2.9° | 0.1° |
| O1 | C19 | C14 | N5 | 178.6° | 179.6° |
| O1 | C19 | C14 | C16 | 179.6° | 179.8° |
| O1 | C19 | N5 | C18 | 179.3° | 179.8° |
| C19 | O1 | C4 | C3 | 90.1° | 90.0° |
| C4 | O1 | C19 | C14 | 162.8° | 180.0° |
| C4 | O1 | C19 | N5 | 18.7° | 0.3° |
| O1 | C4 | C3 | C2 | 178.6° | 179.9° |
| O1 | C4 | C3 | C10 | 2.6° | 0.0° |
| N3 | C15 | C13 | C11 | 1.2° | 0.2° |
| N3 | C15 | C13 | H15 | 180.0° | 180.0° |
| N3 | C15 | C13 | H16 | 178.8° | 180.0° |
| C11 | C14 | C19 | C16 | 176.7° | 179.7° |
| C11 | C14 | C19 | N5 | 178.5° | 179.7° |
| C11 | C14 | C16 | C17 | 179.0° | 180.0° |
| C14 | C11 | C13 | C15 | 178.0° | 179.8° |
| C14 | C11 | C13 | H16 | 2.0° | 0.1° |
| C11 | C14 | C16 | H17 | 1.0° | 0.1° |
| C13 | C11 | C14 | C19 | 15.4° | 180.0° |
| C13 | C11 | C14 | C16 | 161.4° | 0.3° |
| C11 | C13 | C15 | H16 | 180.0° | 179.8° |
| C11 | C13 | C15 | H15 | 178.7° | 179.8° |
| C14 | C19 | N5 | C18 | 0.8° | 0.6° |
| C19 | C14 | C16 | C17 | 2.0° | 0.3° |
| C19 | C14 | C16 | H17 | 178.0° | 179.7° |
| C16 | C14 | C19 | N5 | 1.9° | 0.6° |
| C14 | C16 | C17 | H17 | 180.0° | 179.9° |
| C14 | C16 | C17 | C18 | 1.1° | 0.1° |
| C14 | C16 | C17 | H18 | 178.9° | 180.0° |
| C19 | N5 | C18 | C17 | 0.2° | 0.3° |
| C19 | N5 | C18 | H19 | 179.8° | 179.7° |
| N5 | C18 | C17 | C16 | 0.0° | 0.0° |
| N5 | C18 | C17 | H19 | 180.0° | 180.0° |
| N5 | C18 | C17 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H17 | 178.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.8° | 0.1° |
| C4 | C3 | C2 | C10 | 178.8° | 179.9° |
| C4 | C3 | C2 | C7 | 179.3° | 180.0° |
| C4 | C3 | C10 | C9 | 178.6° | 180.0° |
| C4 | C3 | C10 | H24 | 1.4° | 0.1° |
| O3 | S1 | N1 | C27 | 120.9° | 113.5° |
| O3 | S1 | N1 | C1 | 144.1° | 178.7° |
| O3 | S1 | C27 | C32 | 128.5° | 129.8° |
| O3 | S1 | C27 | C28 | 51.5° | 50.0° |
| O3 | S1 | N1 | H28 | 22.6° | 1.3° |
| S1 | N1 | C1 | H28 | 121.6° | 180.0° |
| S1 | N1 | C1 | C2 | 108.7° | 144.4° |
| N1 | S1 | C27 | C32 | 111.6° | 116.7° |
| N1 | S1 | C27 | C28 | 68.3° | 63.6° |
| C27 | S1 | N1 | C1 | 94.9° | 67.8° |
| S1 | C27 | C32 | C28 | 180.0° | 179.7° |
| S1 | C27 | C32 | C31 | 179.9° | 180.0° |
| S1 | C27 | C28 | CL1 | 0.2° | 0.0° |
| S1 | C27 | C28 | C29 | 179.6° | 179.7° |
| C27 | S1 | N1 | H28 | 143.5° | 112.2° |
| S1 | C27 | C32 | H29 | 0.1° | 0.0° |
| N1 | C1 | C2 | C3 | 179.0° | 179.9° |
| N1 | C1 | C2 | C7 | 0.8° | 0.1° |
| N1 | C1 | C6 | H23 | 2.0° | 0.0° |
| C1 | C2 | C3 | C7 | 179.9° | 179.9° |
| C1 | C2 | C3 | C10 | 179.6° | 180.0° |
| C1 | C2 | C7 | C8 | 179.6° | 180.0° |
| C2 | C1 | C6 | H23 | 178.9° | 179.8° |
| C1 | C2 | C7 | H27 | 0.4° | 0.0° |
| C2 | C1 | N1 | H28 | 129.7° | 35.5° |
| C27 | C32 | C31 | H29 | 180.0° | 180.0° |
| C27 | C32 | C31 | C30 | 0.6° | 0.1° |
| C32 | C27 | C28 | CL1 | 179.8° | 179.7° |
| C32 | C27 | C28 | C29 | 0.3° | 0.6° |
| C27 | C32 | C31 | H30 | 179.4° | 180.0° |
| C31 | C32 | C27 | C28 | 0.1° | 0.2° |
| C32 | C31 | C30 | H30 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.6° | 0.0° |
| C32 | C31 | C30 | H31 | 179.3° | 179.9° |
| C2 | C3 | C10 | C9 | 0.2° | 0.1° |
| C3 | C2 | C7 | C8 | 0.6° | 0.1° |
| C2 | C3 | C10 | H24 | 179.8° | 180.0° |
| C3 | C2 | C7 | H27 | 179.4° | 179.9° |
| C10 | C3 | C2 | C7 | 0.5° | 0.1° |
| C3 | C10 | C9 | H24 | 180.0° | 180.0° |
| C3 | C10 | C9 | C8 | 1.0° | 0.0° |
| C3 | C10 | C9 | H25 | 179.0° | 180.0° |
| C27 | C28 | CL1 | C29 | 179.5° | 179.7° |
| C27 | C28 | C29 | C30 | 0.3° | 0.6° |
| C28 | C27 | C32 | H29 | 179.9° | 179.8° |
| C27 | C28 | C29 | H32 | 179.7° | 179.8° |
| C2 | C7 | C8 | H27 | 180.0° | 180.0° |
| C2 | C7 | C8 | C9 | 0.2° | 0.0° |
| C2 | C7 | C8 | H26 | 179.8° | 180.0° |
| C31 | C30 | C29 | C28 | 0.2° | 0.3° |
| C31 | C30 | C29 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | H29 | 179.4° | 180.0° |
| C31 | C30 | C29 | H32 | 179.8° | 180.0° |
| C10 | C9 | C8 | C7 | 0.9° | 0.0° |
| C10 | C9 | C8 | H25 | 180.0° | 180.0° |
| C10 | C9 | C8 | H26 | 179.1° | 180.0° |
| CL1 | C28 | C29 | C30 | 179.8° | 179.7° |
| CL1 | C28 | C29 | H32 | 0.2° | 0.0° |
| C28 | C29 | C30 | H32 | 180.0° | 179.6° |
| C28 | C29 | C30 | H31 | 179.8° | 179.7° |
| C7 | C8 | C9 | H26 | 180.0° | 180.0° |
| C7 | C8 | C9 | H25 | 179.1° | 180.0° |
| C29 | C30 | C31 | H30 | 179.4° | 180.0° |
| C8 | C9 | C10 | H24 | 179.0° | 180.0° |
| C9 | C8 | C7 | H27 | 179.8° | 179.9° |
| H1 | C21 | C22 | H3 | 61.1° | 180.0° |
| H1 | C21 | C22 | H4 | 179.1° | 60.0° |
| H1 | C21 | C20 | H13 | 175.8° | 180.0° |
| H2 | C21 | C22 | H3 | 58.3° | 60.0° |
| H2 | C21 | C22 | H4 | 61.4° | 60.0° |
| H2 | C21 | C20 | H13 | 64.8° | 60.0° |
| H3 | C22 | C23 | H5 | 51.8° | 180.0° |
| H4 | C22 | C23 | H5 | 171.6° | 60.0° |
| H5 | C23 | N6 | H6 | 61.0° | 60.0° |
| H5 | C23 | N6 | H7 | 59.0° | 176.1° |
| H5 | C23 | C24 | H9 | 167.4° | 180.0° |
| H5 | C23 | C24 | H10 | 48.7° | 60.0° |
| H9 | C24 | C25 | H11 | 51.5° | 60.0° |
| H9 | C24 | C25 | H12 | 170.9° | 180.0° |
| H10 | C24 | C25 | H11 | 67.2° | 60.0° |
| H10 | C24 | C25 | H12 | 52.1° | 60.0° |
| H11 | C25 | C20 | H13 | 59.2° | 60.0° |
| H12 | C25 | C20 | H13 | 178.6° | 180.0° |
| H13 | C20 | N4 | H14 | 165.6° | 145.1° |
| H15 | C15 | C13 | H16 | 1.3° | 0.0° |
| H17 | C16 | C17 | H18 | 1.1° | 0.1° |
| H18 | C17 | C18 | H19 | 0.0° | 0.0° |
| H20 | C26 | H21 | H22 | 120.0° | 120.0° |
| H24 | C10 | C9 | H25 | 1.0° | 0.0° |
| H25 | C9 | C8 | H26 | 0.9° | 0.0° |
| H26 | C8 | C7 | H27 | 0.2° | 0.1° |
| H29 | C32 | C31 | H30 | 0.6° | 0.0° |
| H30 | C31 | C30 | H31 | 0.7° | 0.0° |
| H31 | C30 | C29 | H32 | 0.2° | 0.1° |
