TSV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| F1 | C21 | sing | 1.35Å | 1.35Å | |
| C20 | N1 | sing | 1.35Å | 1.32Å | |
| N1 | C28 | sing | 1.47Å | 1.44Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C9 | O1 | sing | 1.45Å | 1.43Å | |
| O1 | C20 | sing | 1.35Å | 1.44Å | |
| O4 | S1 | doub | 1.42Å | 1.44Å | |
| N3 | S1 | sing | 1.66Å | 1.60Å | |
| S1 | C23 | sing | 1.81Å | 1.68Å | |
| S1 | O6 | doub | 1.42Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | N2 | sing | 1.48Å | 1.45Å | |
| C2 | C4 | sing | 1.50Å | 1.50Å | |
| N2 | C11 | sing | 1.37Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C20 | O2 | doub | 1.21Å | 1.22Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O3 | C33 | doub | 1.21Å | 1.22Å | |
| O9 | C4 | doub | 1.21Å | 1.22Å | |
| C31 | N4 | sing | 1.36Å | 1.48Å | Aromatic |
| C12 | N4 | sing | 1.36Å | 1.47Å | Aromatic |
| N4 | C35 | sing | 1.35Å | 1.31Å | |
| C5 | C10 | doub | 1.31Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | N5 | sing | 1.47Å | 1.48Å | |
| C33 | N5 | sing | 1.35Å | 1.34Å | |
| N5 | C34 | sing | 1.46Å | 1.47Å | |
| C35 | O5 | doub | 1.21Å | 1.22Å | |
| C6 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C11 | O7 | doub | 1.21Å | 1.23Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C35 | O8 | sing | 1.35Å | 1.43Å | |
| O8 | C30 | sing | 1.45Å | 1.42Å | |
| C10 | C13 | sing | 1.51Å | 1.52Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | C11 | sing | 1.51Å | 1.50Å | |
| C24 | C12 | doub | 1.37Å | 1.50Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C17 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C16 | doub | 1.35Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C27 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C24 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C22 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | C26 | sing | 1.46Å | 1.38Å | Aromatic |
| C25 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C32 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C29 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | C24 | sing | 1.48Å | 1.36Å | Aromatic |
| C28 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C31 | doub | 1.37Å | 1.50Å | Aromatic |
| C27 | C30 | sing | 1.54Å | 1.51Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C33 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | C34 | sing | 1.54Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C2 | 60.6° | 60.1° |
| C3 | C1 | H1 | 130.5° | 117.5° |
| C3 | C1 | H1A | 130.6° | 117.5° |
| C1 | C3 | C2 | 59.6° | 60.0° |
| C1 | C3 | C5 | 115.7° | 118.4° |
| C1 | C3 | H3 | 137.5° | 117.3° |
| C2 | C1 | H1 | 130.5° | 117.5° |
| C2 | C1 | H1A | 130.5° | 117.5° |
| C1 | C2 | C3 | 59.8° | 60.0° |
| C1 | C2 | N2 | 115.6° | 117.9° |
| C1 | C2 | C4 | 114.5° | 118.2° |
| H1 | C1 | H1A | 82.3° | 115.5° |
| F1 | C21 | C17 | 120.6° | 120.6° |
| F1 | C21 | C26 | 121.3° | 120.6° |
| C20 | N1 | C28 | 122.4° | 120.0° |
| C20 | N1 | HN1 | 118.8° | 120.0° |
| N1 | C20 | O1 | 114.9° | 120.0° |
| N1 | C20 | O2 | 124.8° | 120.0° |
| C28 | N1 | HN1 | 118.8° | 120.1° |
| N1 | C28 | C25 | 108.8° | 109.4° |
| N1 | C28 | C33 | 109.0° | 109.4° |
| N1 | C28 | H28 | 110.3° | 109.5° |
| C9 | O1 | C20 | 123.2° | 117.0° |
| O1 | C9 | C6 | 109.5° | 109.5° |
| O1 | C9 | C7 | 106.9° | 109.4° |
| O1 | C9 | C8 | 109.2° | 109.5° |
| O1 | C20 | O2 | 120.2° | 120.0° |
| O4 | S1 | N3 | 112.4° | 104.3° |
| O4 | S1 | C23 | 109.3° | 110.6° |
| O4 | S1 | O6 | 112.5° | 121.0° |
| N3 | S1 | C23 | 105.8° | 104.4° |
| N3 | S1 | O6 | 109.2° | 104.3° |
| S1 | N3 | C4 | 118.5° | 120.0° |
| S1 | N3 | HN3 | 120.8° | 120.0° |
| C23 | S1 | O6 | 107.3° | 110.5° |
| S1 | C23 | C32 | 115.5° | 117.5° |
| S1 | C23 | C29 | 117.7° | 117.5° |
| S1 | C23 | H23 | 94.0° | 115.5° |
| C3 | C2 | N2 | 112.7° | 116.2° |
| C3 | C2 | C4 | 119.6° | 118.1° |
| C2 | C3 | C5 | 120.9° | 117.2° |
| C2 | C3 | H3 | 133.0° | 117.5° |
| N2 | C2 | C4 | 120.2° | 115.3° |
| C2 | N2 | C11 | 121.2° | 113.8° |
| C2 | N2 | HN2 | 119.4° | 123.1° |
| C2 | C4 | N3 | 116.3° | 120.0° |
| C2 | C4 | O9 | 121.0° | 120.0° |
| C11 | N2 | HN2 | 119.4° | 123.1° |
| N2 | C11 | O7 | 123.2° | 120.5° |
| N2 | C11 | C15 | 116.3° | 119.1° |
| C5 | C3 | H3 | 92.0° | 115.4° |
| C3 | C5 | C10 | 121.6° | 119.4° |
| C3 | C5 | H5 | 119.2° | 120.3° |
| C4 | N3 | HN3 | 120.8° | 120.0° |
| N3 | C4 | O9 | 122.7° | 120.0° |
| O3 | C33 | N5 | 120.9° | 119.8° |
| O3 | C33 | C28 | 119.7° | 119.8° |
| C31 | N4 | C12 | 113.4° | 110.6° |
| C31 | N4 | C35 | 122.6° | 124.7° |
| N4 | C31 | C26 | 101.7° | 108.5° |
| N4 | C31 | H31 | 129.2° | 125.8° |
| C12 | N4 | C35 | 124.0° | 124.6° |
| N4 | C12 | C24 | 101.8° | 108.5° |
| N4 | C12 | H12 | 129.1° | 125.7° |
| N4 | C35 | O5 | 124.2° | 120.0° |
| N4 | C35 | O8 | 114.9° | 120.0° |
| C10 | C5 | H5 | 119.2° | 120.2° |
| C5 | C10 | C13 | 122.4° | 119.5° |
| C5 | C10 | H10 | 118.8° | 119.9° |
| C15 | N5 | C33 | 119.8° | 124.9° |
| C15 | N5 | C34 | 111.9° | 109.1° |
| N5 | C15 | C11 | 111.3° | 109.2° |
| N5 | C15 | C27 | 102.8° | 107.9° |
| N5 | C15 | H15 | 114.2° | 109.8° |
| C33 | N5 | C34 | 128.3° | 125.9° |
| N5 | C33 | C28 | 119.4° | 120.4° |
| N5 | C34 | C30 | 102.2° | 107.5° |
| N5 | C34 | H34 | 112.0° | 109.8° |
| N5 | C34 | H34A | 112.0° | 109.8° |
| O5 | C35 | O8 | 120.9° | 120.0° |
| C9 | C6 | H6 | 109.5° | 109.5° |
| C9 | C6 | H6A | 109.4° | 109.5° |
| C9 | C6 | H6B | 109.5° | 109.4° |
| C6 | C9 | C7 | 110.4° | 109.5° |
| C6 | C9 | C8 | 110.8° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| C9 | C7 | H7 | 109.5° | 109.5° |
| C9 | C7 | H7A | 109.4° | 109.5° |
| C9 | C7 | H7B | 109.4° | 109.4° |
| C7 | C9 | C8 | 110.0° | 109.4° |
| H7 | C7 | H7A | 109.4° | 109.4° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| O7 | C11 | C15 | 120.3° | 120.4° |
| C9 | C8 | H8 | 109.5° | 109.5° |
| C9 | C8 | H8A | 109.5° | 109.5° |
| C9 | C8 | H8B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.4° |
| C35 | O8 | C30 | 117.3° | 117.0° |
| O8 | C30 | C27 | 109.6° | 110.2° |
| O8 | C30 | C34 | 106.4° | 110.2° |
| O8 | C30 | H30 | 109.5° | 110.2° |
| C13 | C10 | H10 | 118.8° | 120.6° |
| C10 | C13 | C18 | 111.1° | 110.1° |
| C10 | C13 | H13 | 108.9° | 109.3° |
| C10 | C13 | H13A | 109.0° | 109.3° |
| C11 | C15 | C27 | 113.8° | 109.9° |
| C11 | C15 | H15 | 103.4° | 109.9° |
| C24 | C12 | H12 | 129.1° | 125.7° |
| C12 | C24 | C16 | 126.9° | 135.4° |
| C12 | C24 | C26 | 111.8° | 106.1° |
| C18 | C13 | H13 | 108.9° | 109.4° |
| C18 | C13 | H13A | 108.9° | 109.4° |
| C13 | C18 | C19 | 111.8° | 109.3° |
| C13 | C18 | H18 | 108.7° | 109.5° |
| C13 | C18 | H18A | 108.7° | 109.5° |
| H13 | C13 | H13A | 110.0° | 109.3° |
| C17 | C14 | C16 | 120.4° | 122.6° |
| C17 | C14 | H14 | 119.8° | 118.7° |
| C14 | C17 | C21 | 120.3° | 121.8° |
| C14 | C17 | H17 | 119.9° | 119.1° |
| C16 | C14 | H14 | 119.8° | 118.7° |
| C14 | C16 | C24 | 118.2° | 120.0° |
| C14 | C16 | H16 | 120.9° | 120.0° |
| C27 | C15 | H15 | 111.7° | 110.0° |
| C15 | C27 | C30 | 103.6° | 106.4° |
| C15 | C27 | H27 | 111.5° | 110.1° |
| C15 | C27 | H27A | 111.5° | 110.1° |
| C24 | C16 | H16 | 120.9° | 120.0° |
| C16 | C24 | C26 | 121.4° | 118.5° |
| C21 | C17 | H17 | 119.8° | 119.1° |
| C17 | C21 | C26 | 118.1° | 118.8° |
| C19 | C18 | H18 | 108.7° | 109.5° |
| C19 | C18 | H18A | 108.7° | 109.5° |
| C18 | C19 | C22 | 112.3° | 109.5° |
| C18 | C19 | H19 | 108.5° | 109.4° |
| C18 | C19 | H19A | 108.5° | 109.4° |
| H18 | C18 | H18A | 110.2° | 109.5° |
| C22 | C19 | H19 | 108.5° | 109.5° |
| C22 | C19 | H19A | 108.5° | 109.5° |
| C19 | C22 | C25 | 111.0° | 109.6° |
| C19 | C22 | H22 | 109.0° | 109.5° |
| C19 | C22 | H22A | 109.0° | 109.5° |
| H19 | C19 | H19A | 110.4° | 109.5° |
| C21 | C26 | C24 | 121.7° | 118.2° |
| C21 | C26 | C31 | 127.0° | 135.5° |
| C25 | C22 | H22 | 109.0° | 109.4° |
| C25 | C22 | H22A | 109.0° | 109.4° |
| C22 | C25 | C28 | 112.4° | 109.8° |
| C22 | C25 | H25 | 108.5° | 109.4° |
| C22 | C25 | H25A | 108.5° | 109.4° |
| H22 | C22 | H22A | 109.9° | 109.4° |
| C32 | C23 | C29 | 59.9° | 60.0° |
| C32 | C23 | H23 | 136.0° | 117.6° |
| C23 | C32 | C29 | 60.0° | 60.0° |
| C23 | C32 | H32 | 130.9° | 117.5° |
| C23 | C32 | H32A | 130.9° | 117.5° |
| C29 | C23 | H23 | 134.2° | 117.5° |
| C23 | C29 | C32 | 60.1° | 60.0° |
| C23 | C29 | H29 | 130.8° | 117.5° |
| C23 | C29 | H29A | 130.8° | 117.5° |
| C24 | C26 | C31 | 111.3° | 106.3° |
| C28 | C25 | H25 | 108.5° | 109.4° |
| C28 | C25 | H25A | 108.5° | 109.4° |
| C25 | C28 | C33 | 109.6° | 109.6° |
| C25 | C28 | H28 | 109.7° | 109.4° |
| H25 | C25 | H25A | 110.4° | 109.5° |
| C26 | C31 | H31 | 129.1° | 125.8° |
| C30 | C27 | H27 | 111.5° | 110.1° |
| C30 | C27 | H27A | 111.5° | 110.1° |
| C27 | C30 | C34 | 103.4° | 105.5° |
| C27 | C30 | H30 | 112.3° | 110.3° |
| H27 | C27 | H27A | 107.4° | 110.0° |
| C33 | C28 | H28 | 109.5° | 109.4° |
| C32 | C29 | H29 | 130.8° | 117.5° |
| C32 | C29 | H29A | 130.8° | 117.6° |
| C29 | C32 | H32 | 130.9° | 117.5° |
| C29 | C32 | H32A | 130.9° | 117.5° |
| H29 | C29 | H29A | 81.9° | 115.5° |
| C34 | C30 | H30 | 115.2° | 110.3° |
| C30 | C34 | H34 | 112.0° | 109.9° |
| C30 | C34 | H34A | 112.0° | 109.9° |
| H32 | C32 | H32A | 81.8° | 115.5° |
| H34 | C34 | H34A | 106.9° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C2 | H1 | 120.0° | 107.5° |
| C3 | C1 | C2 | H1A | 120.0° | 107.5° |
| C3 | C1 | H1 | H1A | 138.4° | 145.7° |
| C1 | C3 | C2 | C5 | 103.6° | 108.7° |
| C1 | C3 | C2 | H3 | 128.4° | 107.2° |
| C3 | C1 | C2 | N2 | 102.6° | 105.8° |
| C3 | C1 | C2 | C4 | 111.3° | 107.9° |
| C1 | C3 | C5 | H3 | 146.7° | 146.4° |
| C1 | C3 | C5 | C10 | 166.7° | 170.9° |
| C1 | C3 | C5 | H5 | 13.3° | 9.1° |
| C2 | C1 | H1 | H1A | 138.4° | 145.6° |
| C1 | C2 | N2 | C4 | 144.1° | 147.3° |
| C1 | C2 | N2 | C11 | 135.1° | 169.6° |
| C1 | C2 | N2 | HN2 | 44.8° | 10.5° |
| C1 | C2 | C4 | N3 | 144.8° | 81.4° |
| C1 | C2 | C4 | O9 | 34.0° | 98.5° |
| H1 | C1 | C2 | N2 | 137.5° | 1.8° |
| H1 | C1 | C2 | C4 | 8.7° | 144.6° |
| H1 | C1 | C3 | C5 | 7.8° | 145.8° |
| H1 | C1 | C3 | H3 | 117.9° | 0.0° |
| H1A | C1 | C2 | N2 | 17.5° | 146.7° |
| H1A | C1 | C2 | C4 | 128.7° | 0.4° |
| H1A | C1 | C3 | C5 | 127.8° | 0.8° |
| H1A | C1 | C3 | H3 | 2.1° | 144.9° |
| F1 | C21 | C17 | C14 | 178.8° | 180.0° |
| F1 | C21 | C17 | C26 | 178.6° | 180.0° |
| F1 | C21 | C17 | H17 | 1.2° | 0.1° |
| F1 | C21 | C26 | C24 | 179.5° | 180.0° |
| F1 | C21 | C26 | C31 | 2.0° | 0.3° |
| C20 | N1 | C28 | HN1 | 180.0° | 180.0° |
| N1 | C20 | O1 | C9 | 176.9° | 180.0° |
| N1 | C20 | O1 | O2 | 178.6° | 180.0° |
| C20 | N1 | C28 | C25 | 160.3° | 81.0° |
| C20 | N1 | C28 | C33 | 80.3° | 158.8° |
| C20 | N1 | C28 | H28 | 39.9° | 38.9° |
| C28 | N1 | C20 | O1 | 170.5° | 175.0° |
| C28 | N1 | C20 | O2 | 8.0° | 5.0° |
| N1 | C28 | C33 | O3 | 61.3° | 123.5° |
| N1 | C28 | C33 | N5 | 119.4° | 56.5° |
| N1 | C28 | C25 | C22 | 179.1° | 174.7° |
| N1 | C28 | C25 | C33 | 119.0° | 120.0° |
| N1 | C28 | C25 | H28 | 120.7° | 120.0° |
| N1 | C28 | C25 | H25 | 59.1° | 54.6° |
| N1 | C28 | C25 | H25A | 60.9° | 65.3° |
| N1 | C28 | C33 | H28 | 120.7° | 119.9° |
| HN1 | N1 | C20 | O1 | 9.5° | 5.0° |
| HN1 | N1 | C20 | O2 | 172.0° | 175.0° |
| HN1 | N1 | C28 | C25 | 19.7° | 99.0° |
| HN1 | N1 | C28 | C33 | 99.7° | 21.2° |
| HN1 | N1 | C28 | H28 | 140.1° | 141.1° |
| C9 | O1 | C20 | O2 | 4.5° | 0.0° |
| O1 | C9 | C6 | C7 | 117.4° | 120.0° |
| O1 | C9 | C6 | C8 | 120.5° | 120.1° |
| O1 | C9 | C6 | H6 | 180.0° | 179.9° |
| O1 | C9 | C6 | H6A | 60.0° | 60.0° |
| O1 | C9 | C6 | H6B | 60.0° | 60.0° |
| O1 | C9 | C7 | C8 | 118.5° | 120.0° |
| O1 | C9 | C7 | H7 | 180.0° | 60.0° |
| O1 | C9 | C7 | H7A | 60.0° | 60.0° |
| O1 | C9 | C7 | H7B | 60.0° | 180.0° |
| O1 | C9 | C8 | H8 | 180.0° | 180.0° |
| O1 | C9 | C8 | H8A | 60.0° | 59.9° |
| O1 | C9 | C8 | H8B | 60.0° | 60.0° |
| C20 | O1 | C9 | C6 | 59.8° | 60.0° |
| C20 | O1 | C9 | C7 | 179.4° | 180.0° |
| C20 | O1 | C9 | C8 | 61.7° | 60.0° |
| O4 | S1 | N3 | C23 | 119.1° | 116.1° |
| O4 | S1 | N3 | O6 | 125.6° | 127.9° |
| O4 | S1 | C23 | O6 | 122.3° | 136.7° |
| O4 | S1 | N3 | C4 | 60.5° | 178.9° |
| O4 | S1 | N3 | HN3 | 119.5° | 1.1° |
| O4 | S1 | C23 | C32 | 26.2° | 142.0° |
| O4 | S1 | C23 | C29 | 41.6° | 73.4° |
| O4 | S1 | C23 | H23 | 172.7° | 72.2° |
| N3 | S1 | C23 | O6 | 116.5° | 111.6° |
| S1 | N3 | C4 | C2 | 179.7° | 175.0° |
| S1 | N3 | C4 | HN3 | 180.0° | 180.0° |
| S1 | N3 | C4 | O9 | 0.9° | 5.0° |
| N3 | S1 | C23 | C32 | 94.9° | 106.4° |
| N3 | S1 | C23 | C29 | 162.7° | 175.0° |
| N3 | S1 | C23 | H23 | 51.5° | 39.4° |
| C23 | S1 | N3 | C4 | 179.6° | 65.0° |
| C23 | S1 | N3 | HN3 | 0.4° | 115.0° |
| S1 | C23 | C32 | C29 | 108.6° | 107.5° |
| S1 | C23 | C32 | H23 | 127.4° | 145.1° |
| S1 | C23 | C29 | H23 | 128.4° | 144.9° |
| S1 | C23 | C29 | H29 | 135.0° | 145.0° |
| S1 | C23 | C29 | H29A | 15.0° | 0.0° |
| S1 | C23 | C32 | H32 | 11.4° | 0.1° |
| S1 | C23 | C32 | H32A | 131.4° | 145.0° |
| O6 | S1 | N3 | C4 | 65.1° | 51.0° |
| O6 | S1 | N3 | HN3 | 114.8° | 128.9° |
| O6 | S1 | C23 | C32 | 148.5° | 5.2° |
| O6 | S1 | C23 | C29 | 80.7° | 63.4° |
| O6 | S1 | C23 | H23 | 65.0° | 151.0° |
| C3 | C2 | N2 | C4 | 149.7° | 144.4° |
| C3 | C2 | N2 | C11 | 69.0° | 122.1° |
| C3 | C2 | N2 | HN2 | 111.0° | 57.8° |
| C2 | C3 | C5 | H3 | 144.8° | 144.8° |
| C3 | C2 | C4 | N3 | 147.3° | 150.5° |
| C3 | C2 | C4 | O9 | 33.9° | 29.5° |
| C2 | C3 | C5 | C10 | 124.8° | 102.1° |
| C2 | C3 | C5 | H5 | 55.2° | 77.8° |
| C2 | N2 | C11 | HN2 | 180.0° | 179.9° |
| N2 | C2 | C3 | C5 | 149.1° | 142.8° |
| N2 | C2 | C3 | H3 | 21.1° | 1.3° |
| N2 | C2 | C4 | N3 | 0.4° | 65.8° |
| N2 | C2 | C4 | O9 | 178.4° | 114.3° |
| C2 | N2 | C11 | O7 | 11.7° | 6.9° |
| C2 | N2 | C11 | C15 | 164.0° | 173.2° |
| C4 | C2 | N2 | C11 | 80.8° | 22.3° |
| C4 | C2 | N2 | HN2 | 99.3° | 157.8° |
| C4 | C2 | C3 | C5 | 0.9° | 0.6° |
| C4 | C2 | C3 | H3 | 128.8° | 144.7° |
| C2 | C4 | N3 | O9 | 178.8° | 180.0° |
| C2 | C4 | N3 | HN3 | 0.3° | 4.9° |
| N2 | C11 | C15 | N5 | 130.2° | 129.2° |
| N2 | C11 | O7 | C15 | 175.5° | 180.0° |
| N2 | C11 | C15 | C27 | 114.3° | 112.6° |
| N2 | C11 | C15 | H15 | 7.1° | 8.6° |
| HN2 | N2 | C11 | O7 | 168.3° | 173.2° |
| HN2 | N2 | C11 | C15 | 16.0° | 6.7° |
| C3 | C5 | C10 | H5 | 180.0° | 180.0° |
| C3 | C5 | C10 | C13 | 0.3° | 0.0° |
| C3 | C5 | C10 | H10 | 179.7° | 179.7° |
| H3 | C3 | C5 | C10 | 20.0° | 42.7° |
| H3 | C3 | C5 | H5 | 160.0° | 137.3° |
| HN3 | N3 | C4 | O9 | 179.1° | 175.0° |
| O3 | C33 | N5 | C15 | 3.9° | 1.9° |
| O3 | C33 | N5 | C28 | 179.2° | 180.0° |
| O3 | C33 | N5 | C34 | 175.7° | 178.5° |
| O3 | C33 | C28 | C25 | 57.6° | 3.5° |
| O3 | C33 | C28 | H28 | 178.0° | 116.6° |
| C31 | N4 | C12 | C35 | 180.0° | 179.6° |
| C31 | N4 | C35 | O5 | 175.2° | 179.7° |
| C31 | N4 | C35 | O8 | 5.0° | 0.4° |
| C31 | N4 | C12 | C24 | 0.8° | 0.3° |
| C31 | N4 | C12 | H12 | 179.2° | 179.7° |
| N4 | C31 | C26 | C21 | 179.6° | 179.9° |
| N4 | C31 | C26 | C24 | 0.9° | 0.4° |
| N4 | C31 | C26 | H31 | 180.0° | 179.9° |
| C12 | N4 | C35 | O5 | 4.8° | 0.1° |
| C12 | N4 | C35 | O8 | 175.0° | 180.0° |
| N4 | C12 | C24 | H12 | 180.0° | 180.0° |
| N4 | C12 | C24 | C16 | 179.9° | 180.0° |
| N4 | C12 | C24 | C26 | 0.2° | 0.1° |
| C12 | N4 | C31 | C26 | 1.1° | 0.4° |
| C12 | N4 | C31 | H31 | 178.9° | 179.7° |
| N4 | C35 | O5 | O8 | 179.8° | 179.9° |
| N4 | C35 | O8 | C30 | 175.1° | 180.0° |
| C35 | N4 | C12 | C24 | 179.2° | 179.9° |
| C35 | N4 | C12 | H12 | 0.8° | 0.1° |
| C35 | N4 | C31 | C26 | 178.9° | 179.9° |
| C35 | N4 | C31 | H31 | 1.1° | 0.0° |
| C5 | C10 | C13 | H10 | 180.0° | 179.7° |
| C5 | C10 | C13 | C18 | 121.1° | 174.4° |
| C5 | C10 | C13 | H13 | 1.1° | 54.2° |
| C5 | C10 | C13 | H13A | 118.9° | 65.4° |
| H5 | C5 | C10 | C13 | 179.7° | 180.0° |
| H5 | C5 | C10 | H10 | 0.3° | 0.3° |
| C15 | N5 | C33 | C34 | 179.7° | 179.6° |
| N5 | C15 | C11 | O7 | 45.6° | 50.8° |
| N5 | C15 | C11 | C27 | 115.6° | 118.2° |
| N5 | C15 | C11 | H15 | 123.1° | 120.6° |
| N5 | C15 | C27 | H15 | 122.9° | 119.8° |
| N5 | C15 | C27 | C30 | 29.3° | 3.9° |
| N5 | C15 | C27 | H27 | 90.7° | 115.4° |
| N5 | C15 | C27 | H27A | 149.3° | 123.2° |
| C15 | N5 | C33 | C28 | 175.3° | 178.1° |
| C15 | N5 | C34 | C30 | 17.2° | 19.8° |
| C15 | N5 | C34 | H34 | 137.2° | 99.7° |
| C15 | N5 | C34 | H34A | 102.8° | 139.3° |
| C33 | N5 | C15 | C11 | 50.7° | 45.4° |
| C33 | N5 | C15 | C27 | 172.8° | 164.9° |
| C33 | N5 | C15 | H15 | 65.9° | 75.2° |
| N5 | C33 | C28 | C25 | 121.7° | 176.5° |
| N5 | C33 | C28 | H28 | 1.3° | 63.5° |
| C33 | N5 | C34 | C30 | 162.5° | 159.9° |
| C33 | N5 | C34 | H34 | 42.5° | 80.6° |
| C33 | N5 | C34 | H34A | 77.5° | 40.3° |
| N5 | C34 | C30 | O8 | 80.4° | 135.7° |
| C34 | N5 | C15 | C11 | 129.6° | 134.3° |
| C34 | N5 | C15 | C27 | 7.5° | 14.8° |
| C34 | N5 | C15 | H15 | 113.8° | 105.1° |
| N5 | C34 | C30 | C27 | 35.1° | 16.7° |
| C34 | N5 | C33 | C28 | 5.0° | 1.5° |
| N5 | C34 | C30 | H34 | 120.0° | 119.5° |
| N5 | C34 | C30 | H34A | 120.0° | 119.5° |
| N5 | C34 | C30 | H30 | 158.0° | 102.4° |
| N5 | C34 | H34 | H34A | 123.0° | 120.9° |
| O5 | C35 | O8 | C30 | 5.1° | 0.0° |
| C9 | C6 | H6 | H6A | 120.0° | 120.0° |
| C9 | C6 | H6 | H6B | 120.0° | 120.0° |
| C9 | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | C9 | C7 | C8 | 122.6° | 120.0° |
| C6 | C9 | C7 | H7 | 61.0° | 60.0° |
| C6 | C9 | C7 | H7A | 59.0° | 180.0° |
| C6 | C9 | C7 | H7B | 179.0° | 60.0° |
| C6 | C9 | C8 | H8 | 59.3° | 60.0° |
| C6 | C9 | C8 | H8A | 179.3° | 180.0° |
| C6 | C9 | C8 | H8B | 60.7° | 60.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| H6 | C6 | C9 | C7 | 62.6° | 59.9° |
| H6 | C6 | C9 | C8 | 59.5° | 60.0° |
| H6A | C6 | C9 | C7 | 177.4° | 180.0° |
| H6A | C6 | C9 | C8 | 60.5° | 60.1° |
| H6B | C6 | C9 | C7 | 57.4° | 60.0° |
| H6B | C6 | C9 | C8 | 179.5° | 179.9° |
| C9 | C7 | H7 | H7A | 120.0° | 120.0° |
| C9 | C7 | H7 | H7B | 120.0° | 120.0° |
| C9 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | C9 | C8 | H8 | 63.0° | 60.0° |
| C7 | C9 | C8 | H8A | 57.0° | 60.0° |
| C7 | C9 | C8 | H8B | 177.0° | 180.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H7 | C7 | C9 | C8 | 61.6° | 180.0° |
| H7A | C7 | C9 | C8 | 178.5° | 60.0° |
| H7B | C7 | C9 | C8 | 58.5° | 60.0° |
| O7 | C11 | C15 | C27 | 69.9° | 67.4° |
| O7 | C11 | C15 | H15 | 168.7° | 171.4° |
| C9 | C8 | H8 | H8A | 120.0° | 120.1° |
| C9 | C8 | H8 | H8B | 120.0° | 120.0° |
| C9 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| C35 | O8 | C30 | C27 | 84.9° | 150.0° |
| C35 | O8 | C30 | C34 | 163.9° | 93.9° |
| C35 | O8 | C30 | H30 | 38.7° | 28.1° |
| O8 | C30 | C27 | C15 | 72.5° | 126.7° |
| O8 | C30 | C27 | C34 | 113.2° | 119.0° |
| O8 | C30 | C27 | H30 | 122.0° | 121.9° |
| O8 | C30 | C27 | H27 | 167.5° | 114.1° |
| O8 | C30 | C27 | H27A | 47.4° | 7.4° |
| O8 | C30 | C34 | H30 | 121.6° | 121.9° |
| O8 | C30 | C34 | H34 | 39.6° | 16.3° |
| O8 | C30 | C34 | H34A | 159.7° | 104.8° |
| C10 | C13 | C18 | H13 | 120.0° | 120.2° |
| C10 | C13 | C18 | H13A | 120.0° | 120.1° |
| C10 | C13 | H13 | H13A | 119.4° | 119.6° |
| C10 | C13 | C18 | C19 | 173.2° | 169.0° |
| C10 | C13 | C18 | H18 | 53.2° | 71.1° |
| C10 | C13 | C18 | H18A | 66.8° | 49.0° |
| H10 | C10 | C13 | C18 | 58.9° | 5.4° |
| H10 | C10 | C13 | H13 | 178.9° | 125.6° |
| H10 | C10 | C13 | H13A | 61.1° | 114.8° |
| C11 | C15 | C27 | H15 | 116.6° | 121.2° |
| C11 | C15 | C27 | C30 | 149.8° | 122.9° |
| C11 | C15 | C27 | H27 | 29.8° | 3.7° |
| C11 | C15 | C27 | H27A | 90.2° | 117.7° |
| C12 | C24 | C16 | C14 | 179.9° | 179.9° |
| C12 | C24 | C16 | C26 | 180.0° | 179.9° |
| C12 | C24 | C16 | H16 | 0.2° | 0.0° |
| C12 | C24 | C26 | C21 | 179.2° | 180.0° |
| C12 | C24 | C26 | C31 | 0.5° | 0.2° |
| H12 | C12 | C24 | C16 | 0.1° | 0.1° |
| H12 | C12 | C24 | C26 | 179.8° | 180.0° |
| C18 | C13 | H13 | H13A | 119.3° | 119.8° |
| C13 | C18 | C19 | H18 | 120.0° | 120.0° |
| C13 | C18 | C19 | H18A | 120.0° | 120.0° |
| C13 | C18 | H18 | H18A | 119.1° | 120.1° |
| C13 | C18 | C19 | C22 | 70.1° | 79.6° |
| C13 | C18 | C19 | H19 | 49.9° | 40.4° |
| C13 | C18 | C19 | H19A | 169.9° | 160.4° |
| H13 | C13 | C18 | C19 | 66.8° | 48.8° |
| H13 | C13 | C18 | H18 | 173.2° | 168.8° |
| H13 | C13 | C18 | H18A | 53.2° | 71.1° |
| H13A | C13 | C18 | C19 | 53.2° | 70.9° |
| H13A | C13 | C18 | H18 | 66.8° | 49.1° |
| H13A | C13 | C18 | H18A | 173.2° | 169.2° |
| C17 | C14 | C16 | H14 | 180.0° | 180.0° |
| C17 | C14 | C16 | C24 | 0.8° | 0.0° |
| C17 | C14 | C16 | H16 | 179.1° | 180.0° |
| C14 | C17 | C21 | H17 | 180.0° | 179.9° |
| C14 | C17 | C21 | C26 | 0.3° | 0.0° |
| C14 | C16 | C24 | H16 | 180.0° | 180.0° |
| C16 | C14 | C17 | C21 | 0.6° | 0.1° |
| C16 | C14 | C17 | H17 | 179.4° | 180.0° |
| C14 | C16 | C24 | C26 | 0.2° | 0.0° |
| H14 | C14 | C16 | C24 | 179.1° | 180.0° |
| H14 | C14 | C16 | H16 | 0.9° | 0.0° |
| H14 | C14 | C17 | C21 | 179.4° | 179.9° |
| H14 | C14 | C17 | H17 | 0.7° | 0.0° |
| C15 | C27 | C30 | H27 | 120.0° | 119.2° |
| C15 | C27 | C30 | H27A | 120.0° | 119.3° |
| C15 | C27 | H27 | H27A | 122.4° | 121.5° |
| C15 | C27 | C30 | C34 | 40.6° | 7.7° |
| C15 | C27 | C30 | H30 | 165.5° | 111.4° |
| H15 | C15 | C27 | C30 | 93.6° | 115.9° |
| H15 | C15 | C27 | H27 | 146.4° | 124.9° |
| H15 | C15 | C27 | H27A | 26.4° | 3.4° |
| C16 | C24 | C26 | C21 | 0.7° | 0.1° |
| C16 | C24 | C26 | C31 | 179.4° | 179.7° |
| H16 | C16 | C24 | C26 | 179.8° | 179.9° |
| C17 | C21 | C26 | C24 | 0.9° | 0.0° |
| C17 | C21 | C26 | C31 | 179.4° | 179.7° |
| H17 | C17 | C21 | C26 | 179.8° | 179.9° |
| C19 | C18 | H18 | H18A | 119.1° | 120.0° |
| C18 | C19 | C22 | H19 | 120.0° | 119.9° |
| C18 | C19 | C22 | H19A | 120.0° | 120.0° |
| C18 | C19 | H19 | H19A | 118.9° | 120.0° |
| C18 | C19 | C22 | C25 | 105.8° | 164.8° |
| C18 | C19 | C22 | H22 | 134.2° | 75.1° |
| C18 | C19 | C22 | H22A | 14.2° | 44.8° |
| H18 | C18 | C19 | C22 | 169.9° | 160.5° |
| H18 | C18 | C19 | H19 | 70.1° | 79.5° |
| H18 | C18 | C19 | H19A | 49.9° | 40.5° |
| H18A | C18 | C19 | C22 | 49.9° | 40.4° |
| H18A | C18 | C19 | H19 | 169.9° | 160.4° |
| H18A | C18 | C19 | H19A | 70.1° | 79.6° |
| C22 | C19 | H19 | H19A | 118.9° | 120.0° |
| C19 | C22 | C25 | H22 | 120.0° | 120.1° |
| C19 | C22 | C25 | H22A | 120.0° | 120.1° |
| C19 | C22 | H22 | H22A | 119.3° | 120.0° |
| C19 | C22 | C25 | C28 | 166.7° | 141.2° |
| C19 | C22 | C25 | H25 | 46.7° | 21.2° |
| C19 | C22 | C25 | H25A | 73.3° | 98.7° |
| H19 | C19 | C22 | C25 | 14.2° | 44.9° |
| H19 | C19 | C22 | H22 | 105.8° | 165.0° |
| H19 | C19 | C22 | H22A | 134.2° | 75.1° |
| H19A | C19 | C22 | C25 | 134.2° | 75.2° |
| H19A | C19 | C22 | H22 | 14.2° | 44.9° |
| H19A | C19 | C22 | H22A | 105.7° | 164.8° |
| C21 | C26 | C24 | C31 | 178.7° | 179.8° |
| C21 | C26 | C31 | H31 | 0.4° | 0.0° |
| C25 | C22 | H22 | H22A | 119.4° | 119.8° |
| C22 | C25 | C28 | H25 | 120.0° | 120.0° |
| C22 | C25 | C28 | H25A | 120.0° | 120.1° |
| C22 | C25 | H25 | H25A | 118.8° | 119.9° |
| C22 | C25 | C28 | C33 | 60.1° | 54.7° |
| C22 | C25 | C28 | H28 | 60.2° | 65.4° |
| H22 | C22 | C25 | C28 | 73.3° | 98.7° |
| H22 | C22 | C25 | H25 | 166.7° | 141.3° |
| H22 | C22 | C25 | H25A | 46.7° | 21.4° |
| H22A | C22 | C25 | C28 | 46.7° | 21.2° |
| H22A | C22 | C25 | H25 | 73.3° | 98.9° |
| H22A | C22 | C25 | H25A | 166.7° | 141.2° |
| C32 | C23 | C29 | H23 | 126.6° | 107.6° |
| C23 | C32 | C29 | H32 | 120.0° | 107.5° |
| C23 | C32 | C29 | H32A | 120.0° | 107.5° |
| C23 | C32 | C29 | H29 | 120.0° | 107.5° |
| C23 | C32 | C29 | H29A | 120.0° | 107.5° |
| C23 | C32 | H32 | H32A | 138.6° | 145.6° |
| C23 | C29 | H29 | H29A | 138.5° | 145.7° |
| H23 | C23 | C29 | H29 | 6.6° | 0.0° |
| H23 | C23 | C29 | H29A | 113.4° | 144.9° |
| H23 | C23 | C32 | H32 | 116.0° | 145.0° |
| H23 | C23 | C32 | H32A | 4.0° | 0.1° |
| C24 | C26 | C31 | H31 | 179.0° | 179.7° |
| C28 | C25 | H25 | H25A | 118.8° | 119.8° |
| C25 | C28 | C33 | H28 | 120.4° | 120.0° |
| H25 | C25 | C28 | C33 | 59.9° | 65.4° |
| H25 | C25 | C28 | H28 | 179.8° | 174.6° |
| H25A | C25 | C28 | C33 | 179.9° | 174.7° |
| H25A | C25 | C28 | H28 | 59.8° | 54.7° |
| C30 | C27 | H27 | H27A | 122.4° | 121.5° |
| C27 | C30 | C34 | H30 | 122.9° | 119.1° |
| C27 | C30 | C34 | H34 | 155.1° | 102.7° |
| C27 | C30 | C34 | H34A | 84.9° | 136.2° |
| H27 | C27 | C30 | C34 | 79.4° | 127.0° |
| H27 | C27 | C30 | H30 | 45.5° | 7.8° |
| H27A | C27 | C30 | C34 | 160.6° | 111.6° |
| H27A | C27 | C30 | H30 | 74.6° | 129.3° |
| C32 | C29 | H29 | H29A | 138.5° | 145.7° |
| C29 | C32 | H32 | H32A | 138.6° | 145.7° |
| H29 | C29 | C32 | H32 | 120.0° | 145.0° |
| H29 | C29 | C32 | H32A | 0.0° | 0.0° |
| H29A | C29 | C32 | H32 | 0.0° | 0.0° |
| H29A | C29 | C32 | H32A | 120.0° | 145.0° |
| C30 | C34 | H34 | H34A | 123.0° | 121.1° |
| H30 | C30 | C34 | H34 | 82.0° | 138.2° |
| H30 | C30 | C34 | H34A | 38.1° | 17.1° |
