6CJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | C30 | sing | 1.36Å | 1.36Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.30Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C1 | sing | 1.53Å | 1.55Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C | O1 | sing | 1.34Å | 1.22Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C9 | sing | 1.43Å | 1.47Å | |
| O3 | C8 | sing | 1.36Å | 1.38Å | |
| C9 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.46Å | 1.46Å | |
| C8 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | S | sing | 1.77Å | 1.74Å | |
| C5 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| S | C4 | sing | 1.77Å | 1.74Å | |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | N1 | sing | 1.40Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| C4 | N1 | sing | 1.36Å | 1.40Å | |
| C4 | C3 | doub | 1.40Å | 1.36Å | |
| N1 | C17 | sing | 1.36Å | 1.42Å | |
| C2 | C3 | sing | 1.47Å | 1.49Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C3 | C19 | sing | 1.41Å | 1.42Å | |
| O4 | C17 | doub | 1.22Å | 1.22Å | |
| C17 | C18 | sing | 1.41Å | 1.46Å | |
| C19 | C18 | doub | 1.39Å | 1.35Å | |
| C18 | C20 | sing | 1.48Å | 1.48Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| O5 | H4 | sing | 0.97Å | 0.95Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| N | H23 | sing | 0.97Å | 1.00Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| O1 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 120.0° | 120.0° |
| C31 | C32 | C27 | 121.3° | 120.1° |
| C31 | C32 | H28 | 119.3° | 120.0° |
| C32 | C31 | H29 | 120.0° | 120.0° |
| C31 | C30 | O5 | 120.0° | 120.0° |
| C31 | C30 | C29 | 119.6° | 119.9° |
| C30 | C31 | H29 | 120.0° | 120.0° |
| C32 | C27 | C26 | 119.9° | 119.9° |
| C32 | C27 | C28 | 118.1° | 120.1° |
| C27 | C32 | H28 | 119.4° | 120.0° |
| O5 | C30 | C29 | 120.5° | 120.1° |
| C30 | O5 | H4 | 109.5° | 114.0° |
| C30 | C29 | C28 | 119.9° | 119.9° |
| C30 | C29 | H30 | 120.1° | 120.0° |
| O | C | C1 | 113.1° | 120.0° |
| O | C | O1 | 124.0° | 120.0° |
| C10 | C11 | C12 | 111.5° | 109.5° |
| C11 | C10 | C9 | 111.1° | 109.5° |
| C11 | C10 | H5 | 109.0° | 109.5° |
| C11 | C10 | H6 | 109.1° | 109.4° |
| C10 | C11 | H7 | 109.0° | 109.4° |
| C10 | C11 | H8 | 109.0° | 109.5° |
| C11 | C12 | C13 | 111.1° | 109.5° |
| C12 | C11 | H7 | 109.0° | 109.5° |
| C12 | C11 | H8 | 109.0° | 109.5° |
| C11 | C12 | H9 | 109.0° | 109.4° |
| C11 | C12 | H10 | 109.1° | 109.4° |
| C10 | C9 | O3 | 105.6° | 109.5° |
| C10 | C9 | C14 | 111.5° | 109.5° |
| C10 | C9 | H3 | 110.1° | 109.5° |
| C9 | C10 | H5 | 109.1° | 109.5° |
| C9 | C10 | H6 | 109.1° | 109.5° |
| C26 | C27 | C28 | 122.0° | 120.0° |
| C27 | C26 | C1 | 118.3° | 109.5° |
| C27 | C26 | H26 | 107.2° | 109.5° |
| C27 | C26 | H27 | 107.2° | 109.5° |
| C27 | C28 | C29 | 121.2° | 120.1° |
| C27 | C28 | H31 | 119.4° | 119.9° |
| C28 | C29 | H30 | 120.0° | 120.0° |
| C29 | C28 | H31 | 119.4° | 120.0° |
| C26 | C1 | C | 111.6° | 109.5° |
| C26 | C1 | N | 113.2° | 109.5° |
| C26 | C1 | H24 | 106.2° | 109.4° |
| C1 | C26 | H26 | 107.2° | 109.5° |
| C1 | C26 | H27 | 107.2° | 109.5° |
| C1 | C | O1 | 122.9° | 120.0° |
| C | C1 | N | 111.9° | 109.5° |
| C | C1 | H24 | 106.4° | 109.4° |
| C | O1 | H25 | 109.5° | 117.0° |
| C6 | C7 | C8 | 119.9° | 119.5° |
| C7 | C6 | C5 | 119.6° | 119.8° |
| C7 | C6 | H1 | 120.2° | 120.0° |
| C6 | C7 | H2 | 120.0° | 120.3° |
| C7 | C8 | O3 | 115.9° | 119.7° |
| C7 | C8 | C15 | 121.0° | 120.7° |
| C8 | C7 | H2 | 120.1° | 120.3° |
| C6 | C5 | S | 126.9° | 132.1° |
| C6 | C5 | C16 | 120.8° | 121.7° |
| C5 | C6 | H1 | 120.2° | 120.1° |
| C9 | O3 | C8 | 118.9° | 117.0° |
| O3 | C9 | C14 | 108.7° | 109.5° |
| O3 | C9 | H3 | 110.7° | 109.5° |
| O3 | C8 | C15 | 123.1° | 119.6° |
| C9 | C14 | C13 | 110.5° | 109.5° |
| C14 | C9 | H3 | 110.1° | 109.5° |
| C9 | C14 | H13 | 109.2° | 109.5° |
| C9 | C14 | H14 | 109.2° | 109.4° |
| C12 | C13 | C14 | 111.4° | 109.5° |
| C13 | C12 | H9 | 109.1° | 109.5° |
| C13 | C12 | H10 | 109.1° | 109.5° |
| C12 | C13 | H11 | 109.0° | 109.4° |
| C12 | C13 | H12 | 109.0° | 109.4° |
| C1 | N | C2 | 124.2° | 120.0° |
| C1 | N | H23 | 117.9° | 120.0° |
| N | C1 | H24 | 107.1° | 109.5° |
| C8 | C15 | C16 | 119.6° | 120.6° |
| C8 | C15 | H15 | 120.2° | 119.8° |
| S | C5 | C16 | 112.3° | 106.2° |
| C5 | S | C4 | 91.2° | 94.7° |
| C5 | C16 | C15 | 119.1° | 117.7° |
| C5 | C16 | N1 | 111.3° | 115.6° |
| S | C4 | N1 | 111.4° | 107.0° |
| S | C4 | C3 | 124.6° | 130.8° |
| C15 | C16 | N1 | 129.5° | 126.7° |
| C16 | C15 | H15 | 120.2° | 119.6° |
| C16 | N1 | C4 | 113.6° | 116.4° |
| C16 | N1 | C17 | 126.9° | 125.0° |
| C14 | C13 | H11 | 109.0° | 109.5° |
| C14 | C13 | H12 | 109.0° | 109.5° |
| C13 | C14 | H13 | 109.2° | 109.5° |
| C13 | C14 | H14 | 109.2° | 109.5° |
| N | C2 | C3 | 115.3° | 120.0° |
| N | C2 | O2 | 123.5° | 120.0° |
| C2 | N | H23 | 117.9° | 120.0° |
| N1 | C4 | C3 | 123.9° | 122.1° |
| C4 | N1 | C17 | 119.4° | 118.5° |
| C4 | C3 | C2 | 123.9° | 120.2° |
| C4 | C3 | C19 | 116.5° | 119.6° |
| N1 | C17 | O4 | 120.6° | 119.1° |
| N1 | C17 | C18 | 116.7° | 121.7° |
| C3 | C2 | O2 | 121.2° | 120.0° |
| C2 | C3 | C19 | 119.6° | 120.2° |
| C3 | C19 | C18 | 123.2° | 118.1° |
| C3 | C19 | H21 | 118.4° | 120.9° |
| O4 | C17 | C18 | 122.7° | 119.2° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C17 | C18 | C20 | 119.9° | 120.0° |
| C19 | C18 | C20 | 120.4° | 120.0° |
| C18 | C19 | H21 | 118.4° | 121.0° |
| C18 | C20 | C21 | 120.7° | 120.1° |
| C18 | C20 | C25 | 120.5° | 120.2° |
| C20 | C21 | C22 | 120.4° | 119.8° |
| C21 | C20 | C25 | 118.7° | 119.7° |
| C20 | C21 | H20 | 119.8° | 120.1° |
| C21 | C22 | C23 | 120.3° | 120.1° |
| C21 | C22 | H19 | 119.9° | 120.0° |
| C22 | C21 | H20 | 119.8° | 120.0° |
| C20 | C25 | C24 | 120.5° | 119.9° |
| C20 | C25 | H16 | 119.8° | 120.0° |
| C22 | C23 | C24 | 119.8° | 120.3° |
| C22 | C23 | H18 | 120.1° | 119.9° |
| C23 | C22 | H19 | 119.8° | 119.9° |
| C25 | C24 | C23 | 120.3° | 120.1° |
| C24 | C25 | H16 | 119.8° | 120.1° |
| C25 | C24 | H17 | 119.8° | 119.9° |
| C23 | C24 | H17 | 119.9° | 119.9° |
| C24 | C23 | H18 | 120.1° | 119.9° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H29 | 180.0° | 180.0° |
| C31 | C32 | C27 | H28 | 180.0° | 180.0° |
| C32 | C31 | C30 | O5 | 179.4° | 180.0° |
| C32 | C31 | C30 | C29 | 0.4° | 0.0° |
| C31 | C32 | C27 | C26 | 177.1° | 180.0° |
| C31 | C32 | C27 | C28 | 1.1° | 0.3° |
| C30 | C31 | C32 | C27 | 0.5° | 0.0° |
| C31 | C30 | O5 | C29 | 179.7° | 180.0° |
| C31 | C30 | C29 | C28 | 0.6° | 0.2° |
| C31 | C30 | O5 | H4 | 180.0° | 90.0° |
| C30 | C31 | C32 | H28 | 179.5° | 180.0° |
| C31 | C30 | C29 | H30 | 179.4° | 180.0° |
| C32 | C27 | C26 | C28 | 178.1° | 179.7° |
| C32 | C27 | C28 | C29 | 0.9° | 0.5° |
| C32 | C27 | C26 | C1 | 168.3° | 89.8° |
| C32 | C27 | C26 | H26 | 47.0° | 150.3° |
| C32 | C27 | C26 | H27 | 70.5° | 30.3° |
| C27 | C32 | C31 | H29 | 179.5° | 180.0° |
| C32 | C27 | C28 | H31 | 179.1° | 179.7° |
| O5 | C30 | C29 | C28 | 179.1° | 179.7° |
| O5 | C30 | C31 | H29 | 0.6° | 0.0° |
| O5 | C30 | C29 | H30 | 0.8° | 0.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.5° |
| C30 | C29 | C28 | H30 | 180.0° | 179.7° |
| C29 | C30 | O5 | H4 | 0.3° | 90.0° |
| C29 | C30 | C31 | H29 | 179.6° | 180.0° |
| C30 | C29 | C28 | H31 | 180.0° | 179.8° |
| O | C | C1 | C26 | 53.8° | 120.0° |
| O | C | C1 | O1 | 179.2° | 180.0° |
| O | C | C1 | N | 178.3° | 0.0° |
| O | C | C1 | H24 | 61.6° | 120.1° |
| O | C | O1 | H25 | 0.0° | 0.0° |
| C10 | C11 | C12 | H7 | 120.3° | 120.0° |
| C10 | C11 | C12 | H8 | 120.3° | 120.0° |
| C11 | C10 | C9 | H5 | 120.2° | 120.1° |
| C11 | C10 | C9 | H6 | 120.3° | 120.0° |
| C11 | C10 | C9 | O3 | 61.9° | 180.0° |
| C11 | C10 | C9 | C14 | 56.0° | 60.0° |
| C10 | C11 | C12 | C13 | 54.3° | 60.0° |
| C11 | C10 | C9 | H3 | 178.5° | 60.1° |
| C11 | C10 | H5 | H6 | 119.2° | 120.0° |
| C10 | C11 | H7 | H8 | 119.1° | 120.0° |
| C10 | C11 | C12 | H9 | 65.9° | 180.0° |
| C10 | C11 | C12 | H10 | 174.6° | 60.1° |
| C12 | C11 | C10 | C9 | 54.6° | 60.0° |
| C11 | C12 | C13 | H9 | 120.2° | 120.0° |
| C11 | C12 | C13 | H10 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 55.3° | 60.0° |
| C12 | C11 | C10 | H5 | 174.9° | 180.0° |
| C12 | C11 | C10 | H6 | 65.6° | 60.0° |
| C12 | C11 | H7 | H8 | 119.1° | 120.0° |
| C11 | C12 | H9 | H10 | 119.2° | 119.9° |
| C11 | C12 | C13 | H11 | 175.6° | 60.0° |
| C11 | C12 | C13 | H12 | 65.0° | 180.0° |
| C10 | C9 | O3 | C14 | 119.8° | 120.0° |
| C10 | C9 | O3 | H3 | 119.1° | 120.0° |
| C10 | C9 | O3 | C8 | 134.7° | 84.9° |
| C10 | C9 | C14 | H3 | 122.5° | 120.0° |
| C10 | C9 | C14 | C13 | 56.7° | 60.0° |
| C9 | C10 | H5 | H6 | 119.3° | 120.0° |
| C9 | C10 | C11 | H7 | 174.9° | 60.0° |
| C9 | C10 | C11 | H8 | 65.7° | 180.0° |
| C10 | C9 | C14 | H13 | 176.8° | 60.0° |
| C10 | C9 | C14 | H14 | 63.5° | 180.0° |
| C26 | C27 | C28 | C29 | 177.3° | 179.7° |
| C27 | C26 | C1 | H26 | 121.2° | 120.0° |
| C27 | C26 | C1 | H27 | 121.3° | 120.0° |
| C27 | C26 | C1 | C | 69.6° | 175.0° |
| C27 | C26 | C1 | N | 57.6° | 65.0° |
| C27 | C26 | C1 | H24 | 174.9° | 55.1° |
| C27 | C26 | H26 | H27 | 116.0° | 120.0° |
| C26 | C27 | C32 | H28 | 2.9° | 0.0° |
| C26 | C27 | C28 | H31 | 2.7° | 0.0° |
| C27 | C28 | C29 | H31 | 180.0° | 179.7° |
| C28 | C27 | C26 | C1 | 9.9° | 90.0° |
| C28 | C27 | C26 | H26 | 131.1° | 30.0° |
| C28 | C27 | C26 | H27 | 111.4° | 150.0° |
| C28 | C27 | C32 | H28 | 178.9° | 179.7° |
| C27 | C28 | C29 | H30 | 180.0° | 179.8° |
| C26 | C1 | C | N | 127.9° | 120.0° |
| C26 | C1 | C | H24 | 115.4° | 119.9° |
| C26 | C1 | C | O1 | 127.0° | 59.9° |
| C26 | C1 | N | H24 | 116.7° | 120.0° |
| C26 | C1 | N | C2 | 30.3° | 155.0° |
| C26 | C1 | N | H23 | 149.7° | 25.1° |
| C1 | C26 | H26 | H27 | 116.0° | 120.0° |
| C | C1 | N | H24 | 116.3° | 120.0° |
| C | C1 | N | C2 | 157.4° | 85.0° |
| C | C1 | N | H23 | 22.6° | 95.0° |
| C1 | C | O1 | H25 | 179.1° | 180.0° |
| C | C1 | C26 | H26 | 169.1° | 65.0° |
| C | C1 | C26 | H27 | 51.6° | 54.9° |
| O1 | C | C1 | N | 0.9° | 180.0° |
| O1 | C | C1 | H24 | 117.6° | 60.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C6 | C7 | C8 | O3 | 177.0° | 180.0° |
| C6 | C7 | C8 | C15 | 1.0° | 0.5° |
| C7 | C6 | C5 | S | 176.8° | 179.9° |
| C7 | C6 | C5 | C16 | 1.0° | 0.4° |
| C8 | C7 | C6 | C5 | 0.8° | 0.0° |
| C7 | C8 | O3 | C9 | 155.3° | 5.5° |
| C7 | C8 | O3 | C15 | 178.0° | 179.6° |
| C7 | C8 | C15 | C16 | 2.6° | 0.5° |
| C8 | C7 | C6 | H1 | 179.2° | 179.9° |
| C7 | C8 | C15 | H15 | 177.5° | 179.6° |
| C6 | C5 | S | C16 | 178.0° | 179.6° |
| C6 | C5 | S | C4 | 176.0° | 180.0° |
| C6 | C5 | C16 | C15 | 0.5° | 0.3° |
| C6 | C5 | C16 | N1 | 176.9° | 180.0° |
| C5 | C6 | C7 | H2 | 179.2° | 180.0° |
| O3 | C9 | C14 | H3 | 121.5° | 120.0° |
| C9 | O3 | C8 | C15 | 22.6° | 174.1° |
| O3 | C9 | C14 | C13 | 59.4° | 180.0° |
| O3 | C9 | C10 | H5 | 58.3° | 60.0° |
| O3 | C9 | C10 | H6 | 177.8° | 60.0° |
| O3 | C9 | C14 | H13 | 60.8° | 60.0° |
| O3 | C9 | C14 | H14 | 179.5° | 60.0° |
| C8 | O3 | C9 | C14 | 105.5° | 155.1° |
| O3 | C8 | C15 | C16 | 175.3° | 179.9° |
| O3 | C8 | C7 | H2 | 3.0° | 0.0° |
| C8 | O3 | C9 | H3 | 15.6° | 35.1° |
| O3 | C8 | C15 | H15 | 4.7° | 0.0° |
| C9 | C14 | C13 | C12 | 56.3° | 60.0° |
| C9 | C14 | C13 | H13 | 120.1° | 120.0° |
| C9 | C14 | C13 | H14 | 120.2° | 120.0° |
| C14 | C9 | C10 | H5 | 176.2° | 180.0° |
| C14 | C9 | C10 | H6 | 64.3° | 60.0° |
| C9 | C14 | C13 | H11 | 176.6° | 60.0° |
| C9 | C14 | C13 | H12 | 64.0° | 180.0° |
| C9 | C14 | H13 | H14 | 119.5° | 120.0° |
| C12 | C13 | C14 | H11 | 120.3° | 120.0° |
| C12 | C13 | C14 | H12 | 120.3° | 120.0° |
| C13 | C12 | C11 | H7 | 174.6° | 60.0° |
| C13 | C12 | C11 | H8 | 66.0° | 180.0° |
| C13 | C12 | H9 | H10 | 119.3° | 120.1° |
| C12 | C13 | H11 | H12 | 119.1° | 119.9° |
| C12 | C13 | C14 | H13 | 176.5° | 60.0° |
| C12 | C13 | C14 | H14 | 63.8° | 180.0° |
| C1 | N | C2 | H23 | 180.0° | 180.0° |
| C1 | N | C2 | C3 | 114.9° | 180.0° |
| C1 | N | C2 | O2 | 66.0° | 0.1° |
| N | C1 | C26 | H26 | 63.6° | 55.0° |
| N | C1 | C26 | H27 | 178.9° | 175.0° |
| C8 | C15 | C16 | C5 | 2.2° | 0.1° |
| C8 | C15 | C16 | H15 | 180.0° | 179.9° |
| C8 | C15 | C16 | N1 | 174.5° | 179.5° |
| C15 | C8 | C7 | H2 | 179.0° | 179.5° |
| S | C5 | C16 | C15 | 178.6° | 180.0° |
| S | C5 | C16 | N1 | 1.3° | 0.3° |
| C5 | S | C4 | N1 | 2.1° | 0.3° |
| C5 | S | C4 | C3 | 177.4° | 180.0° |
| S | C5 | C6 | H1 | 3.2° | 0.0° |
| C16 | C5 | S | C4 | 1.9° | 0.3° |
| C5 | C16 | C15 | N1 | 176.8° | 179.7° |
| C5 | C16 | N1 | C4 | 0.3° | 0.1° |
| C5 | C16 | N1 | C17 | 178.1° | 180.0° |
| C16 | C5 | C6 | H1 | 178.9° | 179.6° |
| C5 | C16 | C15 | H15 | 177.8° | 180.0° |
| S | C4 | N1 | C16 | 1.8° | 0.2° |
| S | C4 | N1 | C3 | 179.5° | 179.8° |
| S | C4 | N1 | C17 | 179.7° | 179.7° |
| S | C4 | C3 | C2 | 5.0° | 0.3° |
| S | C4 | C3 | C19 | 176.4° | 179.6° |
| C15 | C16 | N1 | C4 | 176.6° | 179.8° |
| C15 | C16 | N1 | C17 | 1.1° | 0.3° |
| C16 | N1 | C4 | C17 | 177.9° | 179.9° |
| C16 | N1 | C4 | C3 | 177.7° | 179.9° |
| C16 | N1 | C17 | O4 | 5.1° | 0.1° |
| C16 | N1 | C17 | C18 | 176.1° | 179.9° |
| N1 | C16 | C15 | H15 | 5.5° | 0.3° |
| C13 | C14 | C9 | H3 | 179.2° | 60.0° |
| C14 | C13 | C12 | H9 | 64.9° | 180.0° |
| C14 | C13 | C12 | H10 | 175.6° | 60.0° |
| C14 | C13 | H11 | H12 | 119.1° | 120.1° |
| C13 | C14 | H13 | H14 | 119.5° | 120.0° |
| N | C2 | C3 | C4 | 126.3° | 180.0° |
| N | C2 | C3 | O2 | 179.1° | 179.9° |
| N | C2 | C3 | C19 | 52.3° | 0.1° |
| C2 | N | C1 | H24 | 86.3° | 35.0° |
| N1 | C4 | C3 | C2 | 174.5° | 180.0° |
| N1 | C4 | C3 | C19 | 4.2° | 0.0° |
| C4 | N1 | C17 | O4 | 172.5° | 180.0° |
| C4 | N1 | C17 | C18 | 6.3° | 0.0° |
| C3 | C4 | N1 | C17 | 0.2° | 0.0° |
| C4 | C3 | C2 | C19 | 178.6° | 180.0° |
| C4 | C3 | C2 | O2 | 54.6° | 0.1° |
| C4 | C3 | C19 | C18 | 1.3° | 0.0° |
| C4 | C3 | C19 | H21 | 178.8° | 180.0° |
| N1 | C17 | O4 | C18 | 178.8° | 180.0° |
| N1 | C17 | C18 | C19 | 9.0° | 0.0° |
| N1 | C17 | C18 | C20 | 169.9° | 180.0° |
| C2 | C3 | C19 | C18 | 177.5° | 180.0° |
| C2 | C3 | C19 | H21 | 2.5° | 0.1° |
| C3 | C2 | N | H23 | 65.1° | 0.0° |
| O2 | C2 | C3 | C19 | 126.8° | 180.0° |
| O2 | C2 | N | H23 | 114.0° | 179.9° |
| C3 | C19 | C18 | C17 | 5.4° | 0.0° |
| C3 | C19 | C18 | H21 | 180.0° | 179.9° |
| C3 | C19 | C18 | C20 | 173.5° | 180.0° |
| O4 | C17 | C18 | C19 | 169.8° | 180.0° |
| O4 | C17 | C18 | C20 | 11.3° | 0.0° |
| C17 | C18 | C19 | C20 | 178.9° | 180.0° |
| C17 | C18 | C20 | C21 | 73.5° | 64.7° |
| C17 | C18 | C20 | C25 | 105.6° | 115.0° |
| C17 | C18 | C19 | H21 | 174.6° | 179.9° |
| C19 | C18 | C20 | C21 | 107.6° | 115.3° |
| C19 | C18 | C20 | C25 | 73.3° | 65.0° |
| C18 | C20 | C21 | C25 | 179.2° | 179.7° |
| C18 | C20 | C21 | C22 | 178.8° | 179.6° |
| C18 | C20 | C25 | C24 | 178.8° | 180.0° |
| C18 | C20 | C25 | H16 | 1.2° | 0.0° |
| C18 | C20 | C21 | H20 | 1.2° | 0.0° |
| C20 | C18 | C19 | H21 | 6.5° | 0.1° |
| C20 | C21 | C22 | H20 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.1° | 0.7° |
| C21 | C20 | C25 | C24 | 0.3° | 0.3° |
| C21 | C20 | C25 | H16 | 179.7° | 179.7° |
| C20 | C21 | C22 | H19 | 179.8° | 179.7° |
| C22 | C21 | C20 | C25 | 0.3° | 0.7° |
| C21 | C22 | C23 | H19 | 180.0° | 179.6° |
| C21 | C22 | C23 | C24 | 0.1° | 0.4° |
| C21 | C22 | C23 | H18 | 180.0° | 179.7° |
| C20 | C25 | C24 | H16 | 180.0° | 179.9° |
| C20 | C25 | C24 | C23 | 0.1° | 0.0° |
| C20 | C25 | C24 | H17 | 179.9° | 180.0° |
| C25 | C20 | C21 | H20 | 179.7° | 179.7° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H18 | 180.0° | 179.9° |
| C22 | C23 | C24 | H17 | 179.9° | 180.0° |
| C23 | C22 | C21 | H20 | 179.8° | 179.7° |
| C25 | C24 | C23 | H17 | 180.0° | 179.9° |
| C25 | C24 | C23 | H18 | 179.9° | 180.0° |
| C23 | C24 | C25 | H16 | 179.9° | 180.0° |
| C24 | C23 | C22 | H19 | 180.0° | 180.0° |
| H1 | C6 | C7 | H2 | 0.8° | 0.0° |
| H3 | C9 | C10 | H5 | 61.2° | 60.0° |
| H3 | C9 | C10 | H6 | 58.3° | 180.0° |
| H3 | C9 | C14 | H13 | 60.7° | 180.0° |
| H3 | C9 | C14 | H14 | 59.0° | 60.0° |
| H5 | C10 | C11 | H7 | 64.8° | 60.0° |
| H5 | C10 | C11 | H8 | 54.6° | 59.9° |
| H6 | C10 | C11 | H7 | 54.6° | 180.0° |
| H6 | C10 | C11 | H8 | 174.0° | 60.1° |
| H7 | C11 | C12 | H9 | 54.4° | 60.0° |
| H7 | C11 | C12 | H10 | 65.1° | 180.0° |
| H8 | C11 | C12 | H9 | 173.8° | 60.0° |
| H8 | C11 | C12 | H10 | 54.3° | 60.0° |
| H9 | C12 | C13 | H11 | 55.4° | 59.9° |
| H9 | C12 | C13 | H12 | 174.8° | 60.0° |
| H10 | C12 | C13 | H11 | 64.1° | 180.0° |
| H10 | C12 | C13 | H12 | 55.3° | 60.0° |
| H11 | C13 | C14 | H13 | 63.2° | 180.0° |
| H11 | C13 | C14 | H14 | 56.5° | 60.0° |
| H12 | C13 | C14 | H13 | 56.2° | 60.0° |
| H12 | C13 | C14 | H14 | 175.9° | 60.0° |
| H16 | C25 | C24 | H17 | 0.1° | 0.1° |
| H17 | C24 | C23 | H18 | 0.0° | 0.1° |
| H18 | C23 | C22 | H19 | 0.0° | 0.0° |
| H19 | C22 | C21 | H20 | 0.2° | 0.0° |
| H23 | N | C1 | H24 | 93.7° | 145.0° |
| H24 | C1 | C26 | H26 | 53.6° | 175.0° |
| H24 | C1 | C26 | H27 | 63.9° | 65.0° |
| H28 | C32 | C31 | H29 | 0.5° | 0.0° |
| H30 | C29 | C28 | H31 | 0.0° | 0.0° |
