W48
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C8 | sing | 1.38Å | 1.53Å | |
| N9 | C10 | sing | 1.35Å | 1.34Å | |
| O11 | C10 | doub | 1.21Å | 1.20Å | |
| C8 | C7 | doub | 1.32Å | 1.57Å | |
| C10 | C6 | sing | 1.52Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.52Å | 1.50Å | |
| O13 | C12 | sing | 1.43Å | 1.21Å | |
| C12 | C4 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.47Å | 1.45Å | |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| CL | C30 | sing | 1.74Å | 1.70Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.33Å | |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| O1 | C2 | doub | 1.21Å | 1.20Å | |
| C2 | C14 | sing | 1.51Å | 1.54Å | |
| O32 | C23 | doub | 1.22Å | 1.19Å | |
| C25 | O24 | sing | 1.45Å | 1.41Å | |
| C23 | O24 | sing | 1.35Å | 1.33Å | |
| C23 | N22 | sing | 1.35Å | 1.34Å | |
| C14 | N22 | sing | 1.47Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C21 | C16 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| N22 | H29 | sing | 0.97Å | 1.00Å | |
| N9 | H30 | sing | 0.97Å | 1.00Å | |
| C12 | S1 | sing | 1.81Å | 21.58Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O4 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| O13 | H31 | sing | 0.97Å | 0.95Å | |
| O3 | H32 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N9 | C10 | 111.8° | 111.6° |
| N9 | C8 | C7 | 104.1° | 112.5° |
| N9 | C8 | H11 | 127.9° | 123.8° |
| C8 | N9 | H30 | 124.1° | 124.2° |
| N9 | C10 | O11 | 124.9° | 127.2° |
| N9 | C10 | C6 | 110.1° | 105.7° |
| C10 | N9 | H30 | 124.1° | 124.2° |
| O11 | C10 | C6 | 125.0° | 127.1° |
| C8 | C7 | C6 | 104.3° | 106.6° |
| C8 | C7 | H5 | 127.8° | 126.7° |
| C7 | C8 | H11 | 128.0° | 123.8° |
| C10 | C6 | C5 | 111.4° | 110.6° |
| C10 | C6 | C7 | 108.9° | 103.6° |
| C10 | C6 | H4 | 109.6° | 110.6° |
| C6 | C5 | C4 | 110.1° | 109.5° |
| C5 | C6 | C7 | 108.8° | 110.6° |
| C6 | C5 | H2 | 109.3° | 109.5° |
| C6 | C5 | H3 | 109.3° | 109.5° |
| C5 | C6 | H4 | 108.6° | 110.5° |
| C5 | C4 | C12 | 109.8° | 109.5° |
| C5 | C4 | N3 | 109.8° | 109.4° |
| C5 | C4 | H1 | 109.3° | 109.5° |
| C4 | C5 | H2 | 109.3° | 109.5° |
| C4 | C5 | H3 | 109.3° | 109.4° |
| C7 | C6 | H4 | 109.4° | 110.7° |
| C6 | C7 | H5 | 127.8° | 126.7° |
| O13 | C12 | C4 | 121.1° | 109.5° |
| O13 | C12 | H6 | 120.0° | 109.5° |
| O13 | C12 | S1 | 65.0° | 109.4° |
| C12 | O13 | H31 | 109.5° | 114.0° |
| C12 | C4 | N3 | 108.3° | 109.4° |
| C12 | C4 | H1 | 109.3° | 109.5° |
| C4 | C12 | H6 | 113.1° | 109.5° |
| C4 | C12 | S1 | 90.9° | 109.5° |
| C28 | C29 | C30 | 119.6° | 120.0° |
| C29 | C28 | C27 | 120.1° | 120.0° |
| C29 | C28 | H26 | 119.9° | 120.0° |
| C28 | C29 | H27 | 120.2° | 120.0° |
| C29 | C30 | CL | 120.9° | 120.0° |
| C29 | C30 | C31 | 120.3° | 120.0° |
| C30 | C29 | H27 | 120.2° | 120.0° |
| C4 | N3 | C2 | 121.5° | 120.0° |
| N3 | C4 | H1 | 110.3° | 109.4° |
| C4 | N3 | H7 | 119.2° | 120.0° |
| C28 | C27 | C26 | 120.0° | 120.1° |
| C28 | C27 | H25 | 120.0° | 119.9° |
| C27 | C28 | H26 | 119.9° | 120.1° |
| CL | C30 | C31 | 118.8° | 120.0° |
| C30 | C31 | C26 | 120.4° | 120.0° |
| C30 | C31 | H28 | 119.8° | 120.0° |
| C27 | C26 | C31 | 119.6° | 120.0° |
| C27 | C26 | C25 | 119.9° | 120.0° |
| C26 | C27 | H25 | 120.0° | 120.0° |
| N3 | C2 | O1 | 120.1° | 120.0° |
| N3 | C2 | C14 | 119.6° | 120.0° |
| C2 | N3 | H7 | 119.2° | 120.0° |
| C31 | C26 | C25 | 120.5° | 120.0° |
| C26 | C31 | H28 | 119.8° | 120.0° |
| C26 | C25 | O24 | 111.4° | 109.5° |
| C26 | C25 | H23 | 109.0° | 109.5° |
| C26 | C25 | H24 | 109.0° | 109.5° |
| O1 | C2 | C14 | 120.3° | 120.0° |
| C2 | C14 | N22 | 110.0° | 109.5° |
| C2 | C14 | C15 | 107.6° | 109.5° |
| C2 | C14 | H8 | 109.3° | 109.5° |
| O32 | C23 | O24 | 120.6° | 120.0° |
| O32 | C23 | N22 | 122.1° | 120.0° |
| C25 | O24 | C23 | 117.2° | 117.1° |
| O24 | C25 | H23 | 109.0° | 109.4° |
| O24 | C25 | H24 | 109.0° | 109.5° |
| O24 | C23 | N22 | 117.3° | 120.0° |
| C23 | N22 | C14 | 124.5° | 120.0° |
| C23 | N22 | H29 | 117.8° | 120.0° |
| N22 | C14 | C15 | 110.0° | 109.5° |
| N22 | C14 | H8 | 110.5° | 109.5° |
| C14 | N22 | H29 | 117.7° | 120.0° |
| C14 | C15 | C16 | 113.1° | 109.5° |
| C15 | C14 | H8 | 109.4° | 109.4° |
| C14 | C15 | H9 | 108.6° | 109.4° |
| C14 | C15 | H10 | 108.5° | 109.5° |
| C15 | C16 | C21 | 110.8° | 109.4° |
| C15 | C16 | C17 | 108.4° | 109.5° |
| C16 | C15 | H9 | 108.6° | 109.5° |
| C16 | C15 | H10 | 108.6° | 109.5° |
| C15 | C16 | H14 | 109.1° | 109.5° |
| C16 | C21 | C20 | 111.1° | 109.5° |
| C21 | C16 | C17 | 110.1° | 109.5° |
| C21 | C16 | H14 | 109.2° | 109.4° |
| C16 | C21 | H21 | 109.0° | 109.5° |
| C16 | C21 | H22 | 109.0° | 109.5° |
| C21 | C20 | C19 | 110.8° | 109.5° |
| C21 | C20 | H15 | 109.2° | 109.5° |
| C21 | C20 | H16 | 109.1° | 109.5° |
| C20 | C21 | H21 | 109.0° | 109.5° |
| C20 | C21 | H22 | 109.1° | 109.4° |
| C16 | C17 | C18 | 113.0° | 109.5° |
| C17 | C16 | H14 | 109.2° | 109.5° |
| C16 | C17 | H17 | 108.6° | 109.5° |
| C16 | C17 | H18 | 108.6° | 109.5° |
| C17 | C18 | C19 | 112.1° | 109.5° |
| C18 | C17 | H17 | 108.5° | 109.5° |
| C18 | C17 | H18 | 108.6° | 109.5° |
| C17 | C18 | H19 | 108.8° | 109.5° |
| C17 | C18 | H20 | 108.8° | 109.5° |
| C20 | C19 | C18 | 112.7° | 109.5° |
| C20 | C19 | H12 | 108.7° | 109.4° |
| C20 | C19 | H13 | 108.7° | 109.5° |
| C19 | C20 | H15 | 109.1° | 109.4° |
| C19 | C20 | H16 | 109.1° | 109.5° |
| C18 | C19 | H12 | 108.7° | 109.5° |
| C18 | C19 | H13 | 108.7° | 109.5° |
| C19 | C18 | H19 | 108.8° | 109.5° |
| C19 | C18 | H20 | 108.8° | 109.5° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H6 | C12 | S1 | 91.6° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.4° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| C12 | S1 | O2 | 90.0° | 110.6° |
| C12 | S1 | O4 | 90.0° | 110.5° |
| C12 | S1 | O3 | 90.0° | 104.5° |
| O2 | S1 | O4 | 90.0° | 121.0° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| O4 | S1 | O3 | 90.0° | 104.2° |
| S1 | O3 | H32 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N9 | C10 | H30 | 180.0° | 179.9° |
| C8 | N9 | C10 | O11 | 179.7° | 179.8° |
| N9 | C8 | C7 | H11 | 180.0° | 179.9° |
| C8 | N9 | C10 | C6 | 0.7° | 0.0° |
| N9 | C8 | C7 | C6 | 7.7° | 0.0° |
| N9 | C8 | C7 | H5 | 172.3° | 180.0° |
| N9 | C10 | O11 | C6 | 178.9° | 179.8° |
| C10 | N9 | C8 | C7 | 4.6° | 0.0° |
| N9 | C10 | C6 | C5 | 126.1° | 118.5° |
| N9 | C10 | C6 | C7 | 6.0° | 0.0° |
| N9 | C10 | C6 | H4 | 113.7° | 118.7° |
| C10 | N9 | C8 | H11 | 175.4° | 180.0° |
| O11 | C10 | C6 | C5 | 54.9° | 61.7° |
| O11 | C10 | C6 | C7 | 175.0° | 179.8° |
| O11 | C10 | C6 | H4 | 65.3° | 61.1° |
| O11 | C10 | N9 | H30 | 0.3° | 0.2° |
| C8 | C7 | C6 | C10 | 8.4° | 0.0° |
| C8 | C7 | C6 | C5 | 130.1° | 118.5° |
| C8 | C7 | C6 | H5 | 180.0° | 179.9° |
| C8 | C7 | C6 | H4 | 111.3° | 118.6° |
| C7 | C8 | N9 | H30 | 175.4° | 180.0° |
| C10 | C6 | C5 | C7 | 120.1° | 114.2° |
| C10 | C6 | C5 | H4 | 120.8° | 122.8° |
| C10 | C6 | C5 | C4 | 175.0° | 175.0° |
| C10 | C6 | C7 | H4 | 119.8° | 118.6° |
| C10 | C6 | C5 | H2 | 64.9° | 55.1° |
| C10 | C6 | C5 | H3 | 54.9° | 65.0° |
| C10 | C6 | C7 | H5 | 171.6° | 180.0° |
| C6 | C10 | N9 | H30 | 179.3° | 180.0° |
| C6 | C5 | C4 | H2 | 120.1° | 120.0° |
| C6 | C5 | C4 | H3 | 120.1° | 120.0° |
| C5 | C6 | C7 | H4 | 118.6° | 122.9° |
| C6 | C5 | C4 | C12 | 178.6° | 173.7° |
| C6 | C5 | C4 | N3 | 62.4° | 66.3° |
| C6 | C5 | C4 | H1 | 58.8° | 53.6° |
| C6 | C5 | H2 | H3 | 119.7° | 120.1° |
| C5 | C6 | C7 | H5 | 49.9° | 61.4° |
| C4 | C5 | C6 | C7 | 64.9° | 70.8° |
| C5 | C4 | C12 | O13 | 65.9° | 55.3° |
| C5 | C4 | C12 | N3 | 119.9° | 120.0° |
| C5 | C4 | C12 | H1 | 119.8° | 120.1° |
| C5 | C4 | N3 | H1 | 120.5° | 120.0° |
| C5 | C4 | N3 | C2 | 115.1° | 155.0° |
| C4 | C5 | H2 | H3 | 119.7° | 119.9° |
| C4 | C5 | C6 | H4 | 54.2° | 52.2° |
| C5 | C4 | C12 | H6 | 87.2° | 175.3° |
| C5 | C4 | N3 | H7 | 64.9° | 25.0° |
| C5 | C4 | C12 | S1 | 4.9° | 64.7° |
| C7 | C6 | C5 | H2 | 55.2° | 169.2° |
| C7 | C6 | C5 | H3 | 175.0° | 49.2° |
| C6 | C7 | C8 | H11 | 172.3° | 180.0° |
| O13 | C12 | C4 | H6 | 153.1° | 120.0° |
| O13 | C12 | C4 | S1 | 61.0° | 120.0° |
| O13 | C12 | C4 | N3 | 174.1° | 175.3° |
| O13 | C12 | C4 | H1 | 53.9° | 64.8° |
| O13 | C12 | H6 | S1 | 61.8° | 119.9° |
| O13 | C12 | S1 | O2 | 90.0° | 74.0° |
| O13 | C12 | S1 | O4 | 90.0° | 62.7° |
| O13 | C12 | S1 | O3 | 90.0° | 174.3° |
| C12 | C4 | N3 | H1 | 119.6° | 120.0° |
| C12 | C4 | N3 | C2 | 125.0° | 85.0° |
| C12 | C4 | C5 | H2 | 58.5° | 66.3° |
| C12 | C4 | C5 | H3 | 61.3° | 53.7° |
| C4 | C12 | H6 | S1 | 91.6° | 120.0° |
| C12 | C4 | N3 | H7 | 55.0° | 95.1° |
| C4 | C12 | S1 | O2 | 90.0° | 166.0° |
| C4 | C12 | S1 | O4 | 90.0° | 57.3° |
| C4 | C12 | S1 | O3 | 90.0° | 54.3° |
| C4 | C12 | O13 | H31 | 180.0° | 60.0° |
| C28 | C29 | C30 | H27 | 180.0° | 179.9° |
| C29 | C28 | C27 | H26 | 180.0° | 180.0° |
| C28 | C29 | C30 | CL | 179.8° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.3° |
| C29 | C28 | C27 | C26 | 0.0° | 0.1° |
| C29 | C28 | C27 | H25 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C29 | C30 | CL | C31 | 179.8° | 179.7° |
| C29 | C30 | C31 | C26 | 0.2° | 0.5° |
| C30 | C29 | C28 | H26 | 179.8° | 180.0° |
| C29 | C30 | C31 | H28 | 179.8° | 180.0° |
| C4 | N3 | C2 | H7 | 180.0° | 180.0° |
| C4 | N3 | C2 | O1 | 0.2° | 0.3° |
| C4 | N3 | C2 | C14 | 180.0° | 180.0° |
| N3 | C4 | C5 | H2 | 177.5° | 53.7° |
| N3 | C4 | C5 | H3 | 57.7° | 173.7° |
| N3 | C4 | C12 | H6 | 32.7° | 64.7° |
| N3 | C4 | C12 | S1 | 124.9° | 55.3° |
| C28 | C27 | C26 | H25 | 180.0° | 180.0° |
| C28 | C27 | C26 | C31 | 0.2° | 0.2° |
| C28 | C27 | C26 | C25 | 179.6° | 180.0° |
| C27 | C28 | C29 | H27 | 179.9° | 179.9° |
| CL | C30 | C31 | C26 | 179.6° | 179.8° |
| CL | C30 | C29 | H27 | 0.2° | 0.1° |
| CL | C30 | C31 | H28 | 0.4° | 0.2° |
| C30 | C31 | C26 | C27 | 0.3° | 0.4° |
| C30 | C31 | C26 | H28 | 180.0° | 179.5° |
| C30 | C31 | C26 | C25 | 179.4° | 179.7° |
| C31 | C30 | C29 | H27 | 180.0° | 179.8° |
| C27 | C26 | C31 | C25 | 179.8° | 179.8° |
| C27 | C26 | C25 | O24 | 176.5° | 90.0° |
| C27 | C26 | C25 | H23 | 56.2° | 150.0° |
| C27 | C26 | C25 | H24 | 63.2° | 30.1° |
| C26 | C27 | C28 | H26 | 179.9° | 179.9° |
| C27 | C26 | C31 | H28 | 179.7° | 180.0° |
| N3 | C2 | O1 | C14 | 179.9° | 179.7° |
| N3 | C2 | C14 | N22 | 143.3° | 180.0° |
| N3 | C2 | C14 | C15 | 96.9° | 60.0° |
| C2 | N3 | C4 | H1 | 5.5° | 35.0° |
| N3 | C2 | C14 | H8 | 21.8° | 60.0° |
| C31 | C26 | C25 | O24 | 3.3° | 90.2° |
| C31 | C26 | C25 | H23 | 123.6° | 29.8° |
| C31 | C26 | C25 | H24 | 117.0° | 149.8° |
| C31 | C26 | C27 | H25 | 179.8° | 179.8° |
| C26 | C25 | O24 | H23 | 120.3° | 120.0° |
| C26 | C25 | O24 | H24 | 120.3° | 120.0° |
| C26 | C25 | O24 | C23 | 82.0° | 180.0° |
| C26 | C25 | H23 | H24 | 119.1° | 120.0° |
| C25 | C26 | C27 | H25 | 0.4° | 0.0° |
| C25 | C26 | C31 | H28 | 0.6° | 0.2° |
| O1 | C2 | C14 | N22 | 36.8° | 0.3° |
| O1 | C2 | C14 | C15 | 82.9° | 120.3° |
| O1 | C2 | N3 | H7 | 179.9° | 179.6° |
| O1 | C2 | C14 | H8 | 158.3° | 119.7° |
| C2 | C14 | N22 | C23 | 64.0° | 155.0° |
| C2 | C14 | N22 | C15 | 118.4° | 120.0° |
| C2 | C14 | N22 | H8 | 120.8° | 120.0° |
| C2 | C14 | C15 | H8 | 118.7° | 120.0° |
| C2 | C14 | C15 | C16 | 179.8° | 175.0° |
| C14 | C2 | N3 | H7 | 0.0° | 0.0° |
| C2 | C14 | C15 | H9 | 59.7° | 65.0° |
| C2 | C14 | C15 | H10 | 59.2° | 55.0° |
| C2 | C14 | N22 | H29 | 116.0° | 25.0° |
| O32 | C23 | O24 | C25 | 0.4° | 0.1° |
| O32 | C23 | O24 | N22 | 178.7° | 179.9° |
| O32 | C23 | N22 | C14 | 2.2° | 0.1° |
| O32 | C23 | N22 | H29 | 177.8° | 180.0° |
| C25 | O24 | C23 | N22 | 178.4° | 180.0° |
| O24 | C25 | H23 | H24 | 119.1° | 120.0° |
| O24 | C23 | N22 | C14 | 176.5° | 180.0° |
| C23 | O24 | C25 | H23 | 38.2° | 60.0° |
| C23 | O24 | C25 | H24 | 157.7° | 60.0° |
| O24 | C23 | N22 | H29 | 3.5° | 0.0° |
| C23 | N22 | C14 | H29 | 180.0° | 180.0° |
| C23 | N22 | C14 | C15 | 177.7° | 85.0° |
| C23 | N22 | C14 | H8 | 56.8° | 35.0° |
| N22 | C14 | C15 | H8 | 121.5° | 120.0° |
| N22 | C14 | C15 | C16 | 60.5° | 65.0° |
| N22 | C14 | C15 | H9 | 60.1° | 55.0° |
| N22 | C14 | C15 | H10 | 179.0° | 174.9° |
| C14 | C15 | C16 | H9 | 120.5° | 120.0° |
| C14 | C15 | C16 | H10 | 120.5° | 120.0° |
| C14 | C15 | C16 | C21 | 56.3° | 65.0° |
| C14 | C15 | C16 | C17 | 177.2° | 175.0° |
| C14 | C15 | H9 | H10 | 118.3° | 120.0° |
| C14 | C15 | C16 | H14 | 63.9° | 54.9° |
| C15 | C14 | N22 | H29 | 2.3° | 95.0° |
| C15 | C16 | C21 | C17 | 119.9° | 120.0° |
| C15 | C16 | C21 | H14 | 120.2° | 120.0° |
| C15 | C16 | C21 | C20 | 177.6° | 180.0° |
| C15 | C16 | C17 | H14 | 118.8° | 120.0° |
| C15 | C16 | C17 | C18 | 175.3° | 180.0° |
| C16 | C15 | C14 | H8 | 61.0° | 55.0° |
| C16 | C15 | H9 | H10 | 118.4° | 120.0° |
| C15 | C16 | C17 | H17 | 64.2° | 60.0° |
| C15 | C16 | C17 | H18 | 54.7° | 60.0° |
| C15 | C16 | C21 | H21 | 57.4° | 60.0° |
| C15 | C16 | C21 | H22 | 62.1° | 60.1° |
| C16 | C21 | C20 | H21 | 120.2° | 120.0° |
| C16 | C21 | C20 | H22 | 120.2° | 120.0° |
| C21 | C16 | C17 | H14 | 119.9° | 120.0° |
| C21 | C16 | C17 | C18 | 53.9° | 60.0° |
| C16 | C21 | C20 | C19 | 58.1° | 60.0° |
| C21 | C16 | C15 | H9 | 176.9° | 175.0° |
| C21 | C16 | C15 | H10 | 64.2° | 55.0° |
| C16 | C21 | C20 | H15 | 178.3° | 60.0° |
| C16 | C21 | C20 | H16 | 62.1° | 180.0° |
| C21 | C16 | C17 | H17 | 174.4° | 180.0° |
| C21 | C16 | C17 | H18 | 66.6° | 60.0° |
| C16 | C21 | H21 | H22 | 119.2° | 120.1° |
| C20 | C21 | C16 | C17 | 57.7° | 60.0° |
| C21 | C20 | C19 | H15 | 120.2° | 120.0° |
| C21 | C20 | C19 | H16 | 120.2° | 120.0° |
| C21 | C20 | C19 | C18 | 54.2° | 60.0° |
| C21 | C20 | C19 | H12 | 66.3° | 60.0° |
| C21 | C20 | C19 | H13 | 174.7° | 180.0° |
| C20 | C21 | C16 | H14 | 62.2° | 60.0° |
| C21 | C20 | H15 | H16 | 119.4° | 120.0° |
| C20 | C21 | H21 | H22 | 119.3° | 119.9° |
| C16 | C17 | C18 | H17 | 120.5° | 120.0° |
| C16 | C17 | C18 | H18 | 120.5° | 120.0° |
| C16 | C17 | C18 | C19 | 50.4° | 60.0° |
| C17 | C16 | C15 | H9 | 62.2° | 55.0° |
| C17 | C16 | C15 | H10 | 56.7° | 65.0° |
| C16 | C17 | H17 | H18 | 118.4° | 120.0° |
| C16 | C17 | C18 | H19 | 70.0° | 180.0° |
| C16 | C17 | C18 | H20 | 170.8° | 60.0° |
| C17 | C16 | C21 | H21 | 62.5° | 60.0° |
| C17 | C16 | C21 | H22 | 177.9° | 180.0° |
| C17 | C18 | C19 | C20 | 50.2° | 60.0° |
| C17 | C18 | C19 | H19 | 120.4° | 120.0° |
| C17 | C18 | C19 | H20 | 120.4° | 120.0° |
| C17 | C18 | C19 | H12 | 70.3° | 60.0° |
| C17 | C18 | C19 | H13 | 170.7° | 180.0° |
| C18 | C17 | C16 | H14 | 65.9° | 60.0° |
| C18 | C17 | H17 | H18 | 118.4° | 120.0° |
| C17 | C18 | H19 | H20 | 118.8° | 120.0° |
| C20 | C19 | C18 | H12 | 120.5° | 120.0° |
| C20 | C19 | C18 | H13 | 120.5° | 120.0° |
| C20 | C19 | H12 | H13 | 118.5° | 120.0° |
| C19 | C20 | H15 | H16 | 119.4° | 120.0° |
| C20 | C19 | C18 | H19 | 70.2° | 180.0° |
| C20 | C19 | C18 | H20 | 170.6° | 60.0° |
| C19 | C20 | C21 | H21 | 62.1° | 60.0° |
| C19 | C20 | C21 | H22 | 178.3° | 180.0° |
| C18 | C19 | H12 | H13 | 118.5° | 120.0° |
| C18 | C19 | C20 | H15 | 174.4° | 60.0° |
| C18 | C19 | C20 | H16 | 66.0° | 180.0° |
| C19 | C18 | C17 | H17 | 170.9° | 180.0° |
| C19 | C18 | C17 | H18 | 70.1° | 60.0° |
| C19 | C18 | H19 | H20 | 118.8° | 120.0° |
| H1 | C4 | C5 | H2 | 61.3° | 173.6° |
| H1 | C4 | C5 | H3 | 178.9° | 66.4° |
| H1 | C4 | C12 | H6 | 153.0° | 55.3° |
| H1 | C4 | N3 | H7 | 174.6° | 144.9° |
| H1 | C4 | C12 | S1 | 114.9° | 175.2° |
| H2 | C5 | C6 | H4 | 174.3° | 67.8° |
| H3 | C5 | C6 | H4 | 65.9° | 172.2° |
| H4 | C6 | C7 | H5 | 68.6° | 61.4° |
| H5 | C7 | C8 | H11 | 7.7° | 0.1° |
| H6 | C12 | S1 | O2 | 90.0° | 45.9° |
| H6 | C12 | S1 | O4 | 90.0° | 177.4° |
| H6 | C12 | S1 | O3 | 90.0° | 65.8° |
| H6 | C12 | O13 | H31 | 28.7° | 60.1° |
| H8 | C14 | C15 | H9 | 178.4° | 175.0° |
| H8 | C14 | C15 | H10 | 59.5° | 65.0° |
| H8 | C14 | N22 | H29 | 123.2° | 145.0° |
| H9 | C15 | C16 | H14 | 56.6° | 65.1° |
| H10 | C15 | C16 | H14 | 175.6° | 174.9° |
| H11 | C8 | N9 | H30 | 4.6° | 0.1° |
| H12 | C19 | C20 | H15 | 53.9° | 180.0° |
| H12 | C19 | C20 | H16 | 173.5° | 60.0° |
| H12 | C19 | C18 | H19 | 169.3° | 60.0° |
| H12 | C19 | C18 | H20 | 50.1° | 180.0° |
| H13 | C19 | C20 | H15 | 65.1° | 60.0° |
| H13 | C19 | C20 | H16 | 54.5° | 60.0° |
| H13 | C19 | C18 | H19 | 50.3° | 60.0° |
| H13 | C19 | C18 | H20 | 68.9° | 60.0° |
| H14 | C16 | C17 | H17 | 54.6° | 60.0° |
| H14 | C16 | C17 | H18 | 173.5° | 180.0° |
| H14 | C16 | C21 | H21 | 177.6° | 180.0° |
| H14 | C16 | C21 | H22 | 58.1° | 59.9° |
| H15 | C20 | C21 | H21 | 58.1° | 180.0° |
| H15 | C20 | C21 | H22 | 61.5° | 60.0° |
| H16 | C20 | C21 | H21 | 177.7° | 60.0° |
| H16 | C20 | C21 | H22 | 58.1° | 60.0° |
| H17 | C17 | C18 | H19 | 50.5° | 60.0° |
| H17 | C17 | C18 | H20 | 68.7° | 60.0° |
| H18 | C17 | C18 | H19 | 169.5° | 60.0° |
| H18 | C17 | C18 | H20 | 50.3° | 180.0° |
| H25 | C27 | C28 | H26 | 0.1° | 0.1° |
| H26 | C28 | C29 | H27 | 0.2° | 0.1° |
| C12 | S1 | O2 | O4 | 90.0° | 131.5° |
| C12 | S1 | O2 | O3 | 90.0° | 111.8° |
| C12 | S1 | O4 | O3 | 90.0° | 111.7° |
| S1 | C12 | O13 | H31 | 105.2° | 180.0° |
| C12 | S1 | O3 | H32 | 90.0° | 180.0° |
| O2 | S1 | O4 | O3 | 90.0° | 116.7° |
| O2 | S1 | O3 | H32 | 90.0° | 63.8° |
| O4 | S1 | O3 | H32 | 90.0° | 64.0° |
