8WJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C17 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O26 | S25 | doub | 1.42Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.55Å | 1.54Å | |
| C31 | C30 | sing | 1.55Å | 1.59Å | |
| C32 | C28 | sing | 1.54Å | 1.54Å | |
| S25 | C21 | sing | 1.76Å | 1.62Å | |
| S25 | O27 | doub | 1.42Å | 1.43Å | |
| S25 | C28 | sing | 1.81Å | 1.71Å | |
| C20 | C21 | sing | 1.40Å | 1.41Å | |
| C20 | C19 | doub | 1.35Å | 1.41Å | |
| C30 | C29 | sing | 1.54Å | 1.57Å | |
| C21 | C22 | doub | 1.36Å | 1.39Å | |
| C19 | N18 | sing | 1.36Å | 1.36Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.54Å | 1.54Å | |
| C22 | C23 | sing | 1.40Å | 1.39Å | |
| N18 | C23 | sing | 1.35Å | 1.42Å | |
| N18 | C9 | sing | 1.47Å | 1.49Å | |
| C23 | O24 | doub | 1.22Å | 1.24Å | |
| C9 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C4 | sing | 1.39Å | 1.36Å | |
| C4 | S8 | sing | 1.71Å | 1.73Å | Aromatic |
| C4 | N5 | doub | 1.30Å | 1.35Å | Aromatic |
| S8 | C7 | sing | 1.76Å | 1.73Å | Aromatic |
| N5 | C6 | sing | 1.32Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.33Å | 1.41Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 112.8° | 109.5° |
| C16 | C15 | C14 | 113.5° | 109.5° |
| C16 | C15 | H6 | 108.5° | 109.5° |
| C16 | C15 | H7 | 108.4° | 109.4° |
| C15 | C16 | H19 | 108.6° | 109.5° |
| C15 | C16 | H20 | 108.6° | 109.5° |
| C16 | C17 | C12 | 113.0° | 109.5° |
| C16 | C17 | H8 | 108.6° | 109.5° |
| C16 | C17 | H9 | 108.6° | 109.5° |
| C17 | C16 | H19 | 108.6° | 109.4° |
| C17 | C16 | H20 | 108.6° | 109.4° |
| C15 | C14 | C13 | 110.8° | 109.5° |
| C14 | C15 | H6 | 108.4° | 109.5° |
| C14 | C15 | H7 | 108.5° | 109.5° |
| C15 | C14 | H17 | 109.1° | 109.5° |
| C15 | C14 | H18 | 109.2° | 109.5° |
| C17 | C12 | C13 | 112.4° | 109.5° |
| C17 | C12 | C11 | 106.3° | 109.5° |
| C12 | C17 | H8 | 108.6° | 109.5° |
| C12 | C17 | H9 | 108.6° | 109.4° |
| C17 | C12 | H16 | 108.4° | 109.4° |
| C14 | C13 | C12 | 112.1° | 109.5° |
| C14 | C13 | H4 | 108.8° | 109.5° |
| C14 | C13 | H5 | 108.8° | 109.5° |
| C13 | C14 | H17 | 109.2° | 109.5° |
| C13 | C14 | H18 | 109.1° | 109.5° |
| O26 | S25 | C21 | 110.3° | 104.3° |
| O26 | S25 | O27 | 107.1° | 121.0° |
| O26 | S25 | C28 | 110.2° | 110.6° |
| C13 | C12 | C11 | 112.3° | 109.5° |
| C12 | C13 | H4 | 108.8° | 109.4° |
| C12 | C13 | H5 | 108.8° | 109.5° |
| C13 | C12 | H16 | 108.4° | 109.5° |
| C12 | C11 | C9 | 115.5° | 109.5° |
| C12 | C11 | H14 | 108.0° | 109.5° |
| C12 | C11 | H15 | 108.0° | 109.5° |
| C11 | C12 | H16 | 108.8° | 109.5° |
| C32 | C31 | C30 | 107.8° | 102.7° |
| C31 | C32 | C28 | 109.2° | 104.2° |
| C32 | C31 | H26 | 109.9° | 110.7° |
| C32 | C31 | H27 | 109.9° | 110.8° |
| C31 | C32 | H28 | 109.5° | 110.5° |
| C31 | C32 | H29 | 109.5° | 110.5° |
| C31 | C30 | C29 | 104.2° | 104.2° |
| C31 | C30 | H24 | 110.8° | 110.5° |
| C31 | C30 | H25 | 110.8° | 110.6° |
| C30 | C31 | H26 | 109.9° | 110.7° |
| C30 | C31 | H27 | 109.9° | 110.7° |
| C32 | C28 | S25 | 114.1° | 110.1° |
| C32 | C28 | C29 | 106.4° | 106.6° |
| C32 | C28 | H12 | 108.0° | 110.0° |
| C28 | C32 | H28 | 109.6° | 110.4° |
| C28 | C32 | H29 | 109.5° | 110.5° |
| C21 | S25 | O27 | 105.7° | 104.3° |
| C21 | S25 | C28 | 114.3° | 104.5° |
| S25 | C21 | C20 | 121.8° | 120.4° |
| S25 | C21 | C22 | 120.9° | 120.4° |
| O27 | S25 | C28 | 108.8° | 110.5° |
| S25 | C28 | C29 | 113.9° | 110.1° |
| S25 | C28 | H12 | 106.1° | 110.0° |
| C21 | C20 | C19 | 121.5° | 119.9° |
| C20 | C21 | C22 | 117.3° | 119.2° |
| C21 | C20 | H10 | 119.3° | 120.0° |
| C20 | C19 | N18 | 120.8° | 120.8° |
| C19 | C20 | H10 | 119.3° | 120.1° |
| C20 | C19 | H21 | 119.6° | 119.6° |
| C30 | C29 | C28 | 110.6° | 106.6° |
| C30 | C29 | H22 | 109.2° | 110.1° |
| C30 | C29 | H23 | 109.2° | 110.1° |
| C29 | C30 | H24 | 110.7° | 110.5° |
| C29 | C30 | H25 | 110.8° | 110.5° |
| C21 | C22 | C23 | 121.0° | 119.3° |
| C21 | C22 | H11 | 119.5° | 120.3° |
| C19 | N18 | C23 | 118.4° | 120.7° |
| C19 | N18 | C9 | 124.3° | 119.6° |
| N18 | C19 | H21 | 119.6° | 119.7° |
| C11 | C9 | N18 | 115.9° | 109.4° |
| C11 | C9 | C2 | 109.7° | 109.5° |
| C11 | C9 | H13 | 105.4° | 109.5° |
| C9 | C11 | H14 | 107.9° | 109.5° |
| C9 | C11 | H15 | 108.0° | 109.5° |
| C29 | C28 | H12 | 108.0° | 110.0° |
| C28 | C29 | H22 | 109.2° | 110.0° |
| C28 | C29 | H23 | 109.2° | 110.0° |
| C22 | C23 | N18 | 121.1° | 120.1° |
| C22 | C23 | O24 | 117.2° | 119.9° |
| C23 | C22 | H11 | 119.5° | 120.4° |
| C23 | N18 | C9 | 117.3° | 119.6° |
| N18 | C23 | O24 | 121.7° | 120.0° |
| N18 | C9 | C2 | 113.2° | 109.5° |
| N18 | C9 | H13 | 106.0° | 109.4° |
| C9 | C2 | O1 | 121.3° | 120.0° |
| C9 | C2 | N3 | 115.5° | 120.0° |
| C2 | C9 | H13 | 105.7° | 109.5° |
| O1 | C2 | N3 | 123.2° | 120.0° |
| C2 | N3 | C4 | 122.0° | 120.0° |
| C2 | N3 | H1 | 119.0° | 119.9° |
| N3 | C4 | S8 | 125.6° | 124.9° |
| N3 | C4 | N5 | 121.3° | 125.0° |
| C4 | N3 | H1 | 119.0° | 120.1° |
| S8 | C4 | N5 | 113.1° | 110.2° |
| C4 | S8 | C7 | 92.2° | 90.3° |
| C4 | N5 | C6 | 111.1° | 116.9° |
| S8 | C7 | C6 | 107.3° | 108.1° |
| S8 | C7 | H3 | 126.3° | 126.0° |
| N5 | C6 | C7 | 116.4° | 114.6° |
| N5 | C6 | H2 | 121.8° | 122.7° |
| C7 | C6 | H2 | 121.8° | 122.7° |
| C6 | C7 | H3 | 126.3° | 126.0° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.4° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 110.0° |
| H24 | C30 | H25 | 109.5° | 110.4° |
| H26 | C31 | H27 | 109.5° | 110.9° |
| H28 | C32 | H29 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H19 | 120.5° | 120.0° |
| C15 | C16 | C17 | H20 | 120.5° | 120.0° |
| C16 | C15 | C14 | H6 | 120.6° | 120.0° |
| C16 | C15 | C14 | H7 | 120.6° | 120.0° |
| C15 | C16 | C17 | C12 | 48.7° | 59.9° |
| C16 | C15 | C14 | C13 | 53.4° | 60.0° |
| C16 | C15 | H6 | H7 | 118.2° | 119.9° |
| C15 | C16 | C17 | H8 | 71.8° | 180.0° |
| C15 | C16 | C17 | H9 | 169.3° | 60.0° |
| C16 | C15 | C14 | H17 | 66.8° | 180.0° |
| C16 | C15 | C14 | H18 | 173.6° | 60.0° |
| C15 | C16 | H19 | H20 | 118.5° | 120.1° |
| C17 | C16 | C15 | C14 | 50.9° | 60.0° |
| C16 | C17 | C12 | H8 | 120.5° | 120.1° |
| C16 | C17 | C12 | H9 | 120.5° | 120.0° |
| C16 | C17 | C12 | C13 | 50.2° | 59.9° |
| C16 | C17 | C12 | C11 | 173.5° | 180.0° |
| C17 | C16 | C15 | H6 | 171.5° | 60.0° |
| C17 | C16 | C15 | H7 | 69.7° | 180.0° |
| C16 | C17 | H8 | H9 | 118.4° | 120.0° |
| C16 | C17 | C12 | H16 | 69.7° | 60.0° |
| C17 | C16 | H19 | H20 | 118.5° | 119.9° |
| C15 | C14 | C13 | H17 | 120.2° | 120.0° |
| C15 | C14 | C13 | H18 | 120.2° | 120.0° |
| C15 | C14 | C13 | C12 | 54.4° | 60.0° |
| C15 | C14 | C13 | H4 | 174.8° | 59.9° |
| C15 | C14 | C13 | H5 | 66.0° | 180.0° |
| C14 | C15 | H6 | H7 | 118.2° | 120.0° |
| C15 | C14 | H17 | H18 | 119.4° | 120.0° |
| C14 | C15 | C16 | H19 | 171.4° | 180.0° |
| C14 | C15 | C16 | H20 | 69.6° | 60.0° |
| C17 | C12 | C13 | C14 | 53.4° | 60.0° |
| C17 | C12 | C13 | C11 | 119.9° | 120.1° |
| C17 | C12 | C13 | H16 | 119.9° | 119.9° |
| C17 | C12 | C11 | H16 | 116.6° | 119.9° |
| C17 | C12 | C11 | C9 | 169.3° | 175.0° |
| C17 | C12 | C13 | H4 | 173.8° | 60.0° |
| C17 | C12 | C13 | H5 | 67.0° | 179.9° |
| C12 | C17 | H8 | H9 | 118.4° | 119.9° |
| C17 | C12 | C11 | H14 | 69.8° | 54.9° |
| C17 | C12 | C11 | H15 | 48.4° | 65.0° |
| C12 | C17 | C16 | H19 | 169.2° | 180.0° |
| C12 | C17 | C16 | H20 | 71.8° | 60.1° |
| C14 | C13 | C12 | H4 | 120.4° | 120.0° |
| C14 | C13 | C12 | H5 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 173.2° | 180.0° |
| C14 | C13 | H4 | H5 | 118.8° | 120.0° |
| C13 | C14 | C15 | H6 | 174.0° | 60.0° |
| C13 | C14 | C15 | H7 | 67.2° | 180.0° |
| C14 | C13 | C12 | H16 | 66.5° | 60.0° |
| C13 | C14 | H17 | H18 | 119.4° | 120.0° |
| O26 | S25 | C28 | C32 | 35.4° | 53.9° |
| O26 | S25 | C21 | O27 | 115.5° | 127.8° |
| O26 | S25 | C21 | C28 | 124.8° | 116.1° |
| O26 | S25 | O27 | C28 | 119.1° | 131.5° |
| O26 | S25 | C21 | C20 | 59.0° | 178.9° |
| O26 | S25 | C21 | C22 | 121.2° | 1.1° |
| O26 | S25 | C28 | C29 | 87.1° | 63.4° |
| O26 | S25 | C28 | H12 | 154.2° | 175.2° |
| C13 | C12 | C11 | H16 | 120.0° | 120.0° |
| C13 | C12 | C11 | C9 | 67.4° | 65.0° |
| C12 | C13 | H4 | H5 | 118.8° | 120.0° |
| C13 | C12 | C17 | H8 | 70.3° | 180.0° |
| C13 | C12 | C17 | H9 | 170.7° | 60.0° |
| C13 | C12 | C11 | H14 | 53.5° | 175.0° |
| C13 | C12 | C11 | H15 | 171.7° | 55.0° |
| C12 | C13 | C14 | H17 | 65.8° | 180.0° |
| C12 | C13 | C14 | H18 | 174.6° | 60.0° |
| C12 | C11 | C9 | H14 | 120.9° | 120.0° |
| C12 | C11 | C9 | H15 | 120.9° | 120.0° |
| C12 | C11 | C9 | N18 | 52.4° | 65.0° |
| C12 | C11 | C9 | C2 | 177.9° | 175.0° |
| C11 | C12 | C13 | H4 | 66.4° | 60.0° |
| C11 | C12 | C13 | H5 | 52.9° | 60.0° |
| C11 | C12 | C17 | H8 | 53.0° | 59.9° |
| C11 | C12 | C17 | H9 | 66.0° | 60.0° |
| C12 | C11 | C9 | H13 | 64.4° | 54.9° |
| C12 | C11 | H14 | H15 | 117.3° | 120.0° |
| C32 | C31 | C30 | H26 | 119.7° | 118.3° |
| C32 | C31 | C30 | H27 | 119.7° | 118.3° |
| C31 | C32 | C28 | H28 | 120.0° | 118.6° |
| C31 | C32 | C28 | H29 | 119.9° | 118.8° |
| C31 | C32 | C28 | S25 | 138.3° | 142.9° |
| C32 | C31 | C30 | C29 | 10.5° | 37.9° |
| C31 | C32 | C28 | C29 | 11.8° | 23.6° |
| C31 | C32 | C28 | H12 | 103.9° | 95.7° |
| C32 | C31 | C30 | H24 | 108.7° | 156.6° |
| C32 | C31 | C30 | H25 | 129.7° | 80.8° |
| C32 | C31 | H26 | H27 | 120.8° | 123.4° |
| C31 | C32 | H28 | H29 | 120.1° | 122.6° |
| C30 | C31 | C32 | C28 | 14.1° | 37.9° |
| C31 | C30 | C29 | H24 | 119.2° | 118.7° |
| C31 | C30 | C29 | H25 | 119.2° | 118.8° |
| C31 | C30 | C29 | C28 | 3.4° | 23.6° |
| C31 | C30 | C29 | H22 | 123.6° | 95.7° |
| C31 | C30 | C29 | H23 | 116.8° | 142.9° |
| C31 | C30 | H24 | H25 | 122.4° | 122.7° |
| C30 | C31 | H26 | H27 | 120.8° | 123.3° |
| C30 | C31 | C32 | H28 | 134.1° | 80.7° |
| C30 | C31 | C32 | H29 | 105.8° | 156.7° |
| C32 | C28 | S25 | C21 | 89.5° | 57.8° |
| C32 | C28 | S25 | O27 | 152.6° | 169.4° |
| C32 | C28 | S25 | C29 | 122.5° | 117.2° |
| C32 | C28 | S25 | H12 | 118.8° | 121.4° |
| C32 | C28 | C29 | C30 | 5.0° | 0.0° |
| C32 | C28 | C29 | H12 | 115.8° | 119.2° |
| C32 | C28 | C29 | H22 | 115.2° | 119.3° |
| C32 | C28 | C29 | H23 | 125.1° | 119.4° |
| C28 | C32 | C31 | H26 | 133.9° | 80.4° |
| C28 | C32 | C31 | H27 | 105.6° | 156.2° |
| C28 | C32 | H28 | H29 | 120.1° | 122.6° |
| C21 | S25 | O27 | C28 | 123.2° | 111.8° |
| S25 | C21 | C20 | C22 | 179.8° | 179.9° |
| S25 | C21 | C20 | C19 | 179.9° | 180.0° |
| C21 | S25 | C28 | C29 | 148.0° | 175.0° |
| S25 | C21 | C22 | C23 | 180.0° | 179.9° |
| S25 | C21 | C20 | H10 | 0.1° | 0.3° |
| S25 | C21 | C22 | H11 | 0.1° | 0.0° |
| C21 | S25 | C28 | H12 | 29.3° | 63.6° |
| O27 | S25 | C21 | C20 | 56.5° | 51.1° |
| O27 | S25 | C21 | C22 | 123.3° | 129.0° |
| O27 | S25 | C28 | C29 | 30.1° | 73.4° |
| O27 | S25 | C28 | H12 | 88.6° | 48.1° |
| C28 | S25 | C21 | C20 | 176.2° | 65.0° |
| S25 | C28 | C29 | C30 | 131.6° | 119.3° |
| C28 | S25 | C21 | C22 | 3.7° | 115.0° |
| S25 | C28 | C29 | H12 | 117.6° | 121.4° |
| S25 | C28 | C29 | H22 | 11.4° | 121.4° |
| S25 | C28 | C29 | H23 | 108.2° | 0.0° |
| S25 | C28 | C32 | H28 | 101.7° | 24.3° |
| S25 | C28 | C32 | H29 | 18.4° | 98.3° |
| C21 | C20 | C19 | H10 | 180.0° | 179.7° |
| C21 | C20 | C19 | N18 | 0.5° | 0.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H11 | 179.9° | 180.0° |
| C21 | C20 | C19 | H21 | 179.5° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | N18 | H21 | 180.0° | 180.0° |
| C20 | C19 | N18 | C23 | 0.9° | 0.0° |
| C20 | C19 | N18 | C9 | 179.8° | 180.0° |
| C30 | C29 | C28 | H22 | 120.2° | 119.3° |
| C30 | C29 | C28 | H23 | 120.2° | 119.3° |
| C30 | C29 | C28 | H12 | 110.8° | 119.3° |
| C30 | C29 | H22 | H23 | 119.5° | 121.5° |
| C29 | C30 | H24 | H25 | 122.4° | 122.5° |
| C29 | C30 | C31 | H26 | 130.2° | 80.3° |
| C29 | C30 | C31 | H27 | 109.2° | 156.3° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | N18 | 0.3° | 0.0° |
| C21 | C22 | C23 | O24 | 180.0° | 180.0° |
| C22 | C21 | C20 | H10 | 179.9° | 179.7° |
| C19 | N18 | C9 | C11 | 53.6° | 60.0° |
| C19 | N18 | C23 | C22 | 0.9° | 0.0° |
| C19 | N18 | C23 | C9 | 179.4° | 180.0° |
| C19 | N18 | C23 | O24 | 179.5° | 180.0° |
| C19 | N18 | C9 | C2 | 74.5° | 60.0° |
| N18 | C19 | C20 | H10 | 179.5° | 179.7° |
| C19 | N18 | C9 | H13 | 170.1° | 180.0° |
| C11 | C9 | N18 | C23 | 127.1° | 120.0° |
| C11 | C9 | N18 | C2 | 128.1° | 120.0° |
| C11 | C9 | N18 | H13 | 116.5° | 120.0° |
| C11 | C9 | C2 | H13 | 113.3° | 120.1° |
| C11 | C9 | C2 | O1 | 108.8° | 119.9° |
| C11 | C9 | C2 | N3 | 72.9° | 60.0° |
| C9 | C11 | H14 | H15 | 117.2° | 120.0° |
| C9 | C11 | C12 | H16 | 52.7° | 55.0° |
| C28 | C29 | H22 | H23 | 119.5° | 121.3° |
| C28 | C29 | C30 | H24 | 115.8° | 142.3° |
| C28 | C29 | C30 | H25 | 122.6° | 95.2° |
| C29 | C28 | C32 | H28 | 131.7° | 95.1° |
| C29 | C28 | C32 | H29 | 108.2° | 142.3° |
| C22 | C23 | N18 | O24 | 179.6° | 180.0° |
| C22 | C23 | N18 | C9 | 179.8° | 180.0° |
| C23 | N18 | C9 | C2 | 104.8° | 120.0° |
| N18 | C23 | C22 | H11 | 179.7° | 180.0° |
| C23 | N18 | C9 | H13 | 10.6° | 0.0° |
| C23 | N18 | C19 | H21 | 179.1° | 180.0° |
| C9 | N18 | C23 | O24 | 0.1° | 0.0° |
| N18 | C9 | C2 | H13 | 115.5° | 120.0° |
| N18 | C9 | C2 | O1 | 22.5° | 0.0° |
| N18 | C9 | C2 | N3 | 155.9° | 180.0° |
| N18 | C9 | C11 | H14 | 173.3° | 55.0° |
| N18 | C9 | C11 | H15 | 68.5° | 175.0° |
| C9 | N18 | C19 | H21 | 0.3° | 0.0° |
| O24 | C23 | C22 | H11 | 0.0° | 0.1° |
| C9 | C2 | O1 | N3 | 178.2° | 179.9° |
| C9 | C2 | N3 | C4 | 171.8° | 180.0° |
| C9 | C2 | N3 | H1 | 8.2° | 0.2° |
| C2 | C9 | C11 | H14 | 57.0° | 65.0° |
| C2 | C9 | C11 | H15 | 61.2° | 55.0° |
| O1 | C2 | N3 | C4 | 9.9° | 0.0° |
| O1 | C2 | N3 | H1 | 170.1° | 179.7° |
| O1 | C2 | C9 | H13 | 138.0° | 120.0° |
| C2 | N3 | C4 | H1 | 180.0° | 179.7° |
| C2 | N3 | C4 | S8 | 7.5° | 179.8° |
| C2 | N3 | C4 | N5 | 171.9° | 0.6° |
| N3 | C2 | C9 | H13 | 40.4° | 60.1° |
| N3 | C4 | S8 | N5 | 179.4° | 179.7° |
| N3 | C4 | S8 | C7 | 179.1° | 180.0° |
| N3 | C4 | N5 | C6 | 178.9° | 180.0° |
| S8 | C4 | N5 | C6 | 0.6° | 0.3° |
| C4 | S8 | C7 | C6 | 0.0° | 0.3° |
| S8 | C4 | N3 | H1 | 172.5° | 0.0° |
| C4 | S8 | C7 | H3 | 179.9° | 179.8° |
| N5 | C4 | S8 | C7 | 0.4° | 0.3° |
| C4 | N5 | C6 | C7 | 0.6° | 0.0° |
| N5 | C4 | N3 | H1 | 8.1° | 179.7° |
| C4 | N5 | C6 | H2 | 179.4° | 179.8° |
| S8 | C7 | C6 | N5 | 0.3° | 0.2° |
| S8 | C7 | C6 | H3 | 180.0° | 179.9° |
| S8 | C7 | C6 | H2 | 179.7° | 180.0° |
| N5 | C6 | C7 | H2 | 180.0° | 179.9° |
| N5 | C6 | C7 | H3 | 179.7° | 179.9° |
| H2 | C6 | C7 | H3 | 0.3° | 0.0° |
| H4 | C13 | C12 | H16 | 53.9° | 179.9° |
| H4 | C13 | C14 | H17 | 54.6° | 60.1° |
| H4 | C13 | C14 | H18 | 65.0° | 179.9° |
| H5 | C13 | C12 | H16 | 173.1° | 60.0° |
| H5 | C13 | C14 | H17 | 173.8° | 60.0° |
| H5 | C13 | C14 | H18 | 54.2° | 60.0° |
| H6 | C15 | C14 | H17 | 53.8° | 60.0° |
| H6 | C15 | C14 | H18 | 65.8° | 180.0° |
| H6 | C15 | C16 | H19 | 68.0° | 59.9° |
| H6 | C15 | C16 | H20 | 50.9° | NaN° |
| H7 | C15 | C14 | H17 | 172.6° | 60.0° |
| H7 | C15 | C14 | H18 | 53.0° | 60.0° |
| H7 | C15 | C16 | H19 | 50.8° | 60.0° |
| H7 | C15 | C16 | H20 | 169.7° | 60.0° |
| H8 | C17 | C12 | H16 | 169.8° | 60.1° |
| H8 | C17 | C16 | H19 | 48.7° | 60.0° |
| H8 | C17 | C16 | H20 | 167.7° | 60.0° |
| H9 | C17 | C12 | H16 | 50.9° | 180.0° |
| H9 | C17 | C16 | H19 | 70.2° | 60.0° |
| H9 | C17 | C16 | H20 | 48.8° | 180.0° |
| H10 | C20 | C19 | H21 | 0.5° | 0.3° |
| H12 | C28 | C29 | H22 | 129.0° | 0.0° |
| H12 | C28 | C29 | H23 | 9.4° | 121.4° |
| H12 | C28 | C32 | H28 | 16.0° | 145.7° |
| H12 | C28 | C32 | H29 | 136.1° | 23.1° |
| H13 | C9 | C11 | H14 | 56.5° | 175.0° |
| H13 | C9 | C11 | H15 | 174.7° | 65.1° |
| H14 | C11 | C12 | H16 | 173.6° | 65.0° |
| H15 | C11 | C12 | H16 | 68.2° | 175.0° |
| H22 | C29 | C30 | H24 | 4.4° | 23.0° |
| H22 | C29 | C30 | H25 | 117.3° | 145.5° |
| H23 | C29 | C30 | H24 | 124.1° | 98.4° |
| H23 | C29 | C30 | H25 | 2.4° | 24.1° |
| H24 | C30 | C31 | H26 | 11.1° | 38.3° |
| H24 | C30 | C31 | H27 | 131.6° | 85.1° |
| H25 | C30 | C31 | H26 | 110.6° | 160.9° |
| H25 | C30 | C31 | H27 | 9.9° | 37.5° |
| H26 | C31 | C32 | H28 | 106.2° | 161.0° |
| H26 | C31 | C32 | H29 | 13.9° | 38.4° |
| H27 | C31 | C32 | H28 | 14.4° | 37.6° |
| H27 | C31 | C32 | H29 | 134.5° | 85.0° |
