S1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.36Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | N5 | sing | 1.31Å | 1.33Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.42Å | 1.42Å | Aromatic |
| N5 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C17 | doub | 1.41Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N4 | sing | 1.40Å | 1.42Å | |
| N4 | C16 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | N3 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | O | doub | 1.21Å | 1.23Å | |
| C15 | C30 | sing | 1.51Å | 1.52Å | |
| O1 | C12 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C13 | N3 | sing | 1.47Å | 1.46Å | |
| C12 | N2 | sing | 1.35Å | 1.36Å | |
| N3 | C26 | sing | 1.47Å | 1.47Å | |
| N2 | C11 | sing | 1.40Å | 1.42Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.41Å | |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C32 | CL | sing | 1.74Å | 1.74Å | |
| C32 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| C23 | H35 | sing | 1.08Å | 1.08Å | |
| C19 | H36 | sing | 1.08Å | 1.08Å | |
| C18 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 120.7° | 119.5° |
| C21 | C22 | C23 | 120.5° | 121.0° |
| C22 | C21 | H12 | 119.7° | 120.2° |
| C21 | C22 | H13 | 119.7° | 119.5° |
| C21 | C20 | C19 | 123.1° | 122.0° |
| C21 | C20 | C25 | 119.1° | 119.3° |
| C20 | C21 | H12 | 119.7° | 120.3° |
| C20 | C19 | N5 | 124.3° | 120.2° |
| C19 | C20 | C25 | 117.8° | 118.7° |
| C20 | C19 | H36 | 117.9° | 119.9° |
| C19 | N5 | C18 | 117.3° | 122.9° |
| N5 | C19 | H36 | 117.9° | 119.9° |
| C22 | C23 | C24 | 120.6° | 121.0° |
| C23 | C22 | H13 | 119.7° | 119.5° |
| C22 | C23 | H35 | 119.7° | 119.5° |
| C20 | C25 | C24 | 118.1° | 119.6° |
| C20 | C25 | C17 | 118.1° | 118.2° |
| N5 | C18 | C17 | 125.1° | 121.6° |
| N5 | C18 | H37 | 117.4° | 119.2° |
| C23 | C24 | C25 | 121.1° | 119.5° |
| C23 | C24 | H14 | 119.4° | 120.2° |
| C24 | C23 | H35 | 119.7° | 119.6° |
| C24 | C25 | C17 | 123.8° | 122.2° |
| C25 | C24 | H14 | 119.5° | 120.3° |
| C25 | C17 | C18 | 117.5° | 118.4° |
| C25 | C17 | N4 | 118.3° | 120.8° |
| C18 | C17 | N4 | 123.9° | 120.8° |
| C17 | C18 | H37 | 117.5° | 119.2° |
| C17 | N4 | C16 | 126.4° | 120.0° |
| C17 | N4 | H34 | 116.8° | 120.0° |
| N4 | C16 | C15 | 115.0° | 120.0° |
| N4 | C16 | O | 122.8° | 120.0° |
| C16 | N4 | H34 | 116.8° | 120.0° |
| C15 | C14 | N3 | 108.8° | 108.5° |
| C14 | C15 | C16 | 109.4° | 109.3° |
| C14 | C15 | C30 | 109.7° | 110.0° |
| C14 | C15 | H11 | 108.8° | 109.4° |
| C15 | C14 | H32 | 109.6° | 109.6° |
| C15 | C14 | H33 | 109.6° | 109.6° |
| C14 | N3 | C13 | 111.2° | 111.0° |
| C14 | N3 | C26 | 111.4° | 110.3° |
| N3 | C14 | H32 | 109.6° | 109.6° |
| N3 | C14 | H33 | 109.6° | 109.6° |
| C15 | C16 | O | 122.2° | 120.0° |
| C16 | C15 | C30 | 111.2° | 109.4° |
| C16 | C15 | H11 | 108.7° | 109.4° |
| C15 | C30 | C31 | 120.5° | 118.5° |
| C15 | C30 | C27 | 119.9° | 121.6° |
| C30 | C15 | H11 | 109.0° | 109.3° |
| O1 | C12 | C13 | 120.4° | 120.1° |
| O1 | C12 | N2 | 124.5° | 120.0° |
| C12 | C13 | N3 | 115.0° | 109.4° |
| C13 | C12 | N2 | 115.1° | 120.0° |
| C12 | C13 | H9 | 108.1° | 109.5° |
| C12 | C13 | H10 | 108.1° | 109.5° |
| C13 | N3 | C26 | 112.3° | 111.0° |
| N3 | C13 | H9 | 108.1° | 109.5° |
| N3 | C13 | H10 | 108.1° | 109.5° |
| C12 | N2 | C11 | 128.5° | 120.0° |
| C12 | N2 | H18 | 115.8° | 119.9° |
| N3 | C26 | C27 | 112.6° | 110.5° |
| N3 | C26 | H15 | 108.7° | 109.3° |
| N3 | C26 | H16 | 108.7° | 109.3° |
| N2 | C11 | C10 | 119.2° | 120.0° |
| N2 | C11 | C8 | 121.7° | 120.0° |
| C11 | N2 | H18 | 115.7° | 120.1° |
| C10 | C11 | C8 | 119.1° | 120.0° |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C11 | C10 | H8 | 119.7° | 120.0° |
| C11 | C8 | C7 | 120.4° | 119.9° |
| C11 | C8 | H7 | 119.8° | 120.0° |
| C10 | C9 | C6 | 120.8° | 120.0° |
| C9 | C10 | H8 | 119.8° | 120.0° |
| C10 | C9 | H19 | 119.6° | 120.0° |
| C8 | C7 | C6 | 120.8° | 120.1° |
| C8 | C7 | H6 | 119.6° | 119.9° |
| C7 | C8 | H7 | 119.8° | 120.1° |
| C9 | C6 | C7 | 118.3° | 120.0° |
| C9 | C6 | N1 | 120.8° | 120.0° |
| C6 | C9 | H19 | 119.6° | 120.0° |
| C31 | C30 | C27 | 119.5° | 119.8° |
| C30 | C31 | C32 | 119.9° | 120.4° |
| C30 | C31 | H30 | 120.1° | 119.8° |
| C30 | C27 | C26 | 121.5° | 121.8° |
| C30 | C27 | C28 | 118.9° | 119.8° |
| C7 | C6 | N1 | 120.8° | 120.0° |
| C6 | C7 | H6 | 119.6° | 120.0° |
| C6 | N1 | C5 | 120.6° | 111.0° |
| C6 | N1 | C3 | 120.1° | 111.0° |
| C31 | C32 | CL | 119.0° | 120.1° |
| C31 | C32 | C29 | 121.4° | 119.8° |
| C32 | C31 | H30 | 120.1° | 119.8° |
| C5 | N1 | C3 | 113.6° | 110.9° |
| N1 | C5 | C4 | 110.7° | 109.3° |
| N1 | C5 | H4 | 109.2° | 109.5° |
| N1 | C5 | H5 | 109.2° | 109.5° |
| N1 | C3 | C2 | 110.2° | 109.3° |
| N1 | C3 | H20 | 109.3° | 109.5° |
| N1 | C3 | H21 | 109.3° | 109.5° |
| C5 | C4 | N | 110.6° | 109.4° |
| C5 | C4 | H2 | 109.2° | 109.5° |
| C5 | C4 | H3 | 109.2° | 109.5° |
| C4 | C5 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C4 | N | C2 | 109.7° | 110.9° |
| C4 | N | C1 | 110.9° | 111.0° |
| N | C4 | H2 | 109.2° | 109.5° |
| N | C4 | H3 | 109.2° | 109.5° |
| C26 | C27 | C28 | 119.5° | 118.4° |
| C27 | C26 | H15 | 108.7° | 109.2° |
| C27 | C26 | H16 | 108.7° | 109.2° |
| C3 | C2 | N | 110.2° | 109.4° |
| C2 | C3 | H20 | 109.3° | 109.5° |
| C2 | C3 | H21 | 109.3° | 109.5° |
| C3 | C2 | H22 | 109.3° | 109.5° |
| C3 | C2 | H23 | 109.3° | 109.5° |
| C2 | N | C1 | 110.9° | 111.0° |
| N | C2 | H22 | 109.3° | 109.5° |
| N | C2 | H23 | 109.3° | 109.5° |
| C27 | C28 | C29 | 121.2° | 120.4° |
| C27 | C28 | H17 | 119.4° | 119.8° |
| N | C1 | C | 113.9° | 109.5° |
| N | C1 | H25 | 108.4° | 109.5° |
| N | C1 | H26 | 108.4° | 109.5° |
| C | C1 | H25 | 108.3° | 109.4° |
| C | C1 | H26 | 108.3° | 109.4° |
| C1 | C | H27 | 109.5° | 109.5° |
| C1 | C | H28 | 109.5° | 109.5° |
| C1 | C | H29 | 109.5° | 109.4° |
| CL | C32 | C29 | 119.6° | 120.1° |
| C32 | C29 | C28 | 119.0° | 119.8° |
| C32 | C29 | H31 | 120.5° | 120.1° |
| C29 | C28 | H17 | 119.4° | 119.8° |
| C28 | C29 | H31 | 120.5° | 120.1° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.6° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.2° |
| H20 | C3 | H21 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.5° |
| H27 | C | H29 | 109.5° | 109.4° |
| H28 | C | H29 | 109.5° | 109.5° |
| H32 | C14 | H33 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 178.4° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 179.9° |
| C22 | C21 | C20 | C25 | 0.0° | 0.0° |
| C21 | C22 | C23 | C24 | 0.7° | 0.0° |
| C21 | C22 | C23 | H35 | 179.3° | 180.0° |
| C21 | C20 | C19 | C25 | 178.4° | 180.0° |
| C21 | C20 | C19 | N5 | 177.4° | 179.7° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C21 | C20 | C25 | C24 | 0.4° | 0.0° |
| C21 | C20 | C25 | C17 | 177.7° | 180.0° |
| C20 | C21 | C22 | H13 | 179.4° | 180.0° |
| C21 | C20 | C19 | H36 | 2.5° | 0.0° |
| C20 | C19 | N5 | H36 | 180.0° | 179.6° |
| C20 | C19 | N5 | C18 | 0.5° | 0.4° |
| C19 | C20 | C25 | C24 | 178.9° | 180.0° |
| C19 | C20 | C25 | C17 | 0.8° | 0.0° |
| C19 | C20 | C21 | H12 | 1.6° | 0.0° |
| N5 | C19 | C20 | C25 | 1.0° | 0.3° |
| C19 | N5 | C18 | C17 | 0.2° | 0.1° |
| C19 | N5 | C18 | H37 | 179.8° | 179.9° |
| C22 | C23 | C24 | H35 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C22 | C21 | H12 | 179.5° | 180.0° |
| C22 | C23 | C24 | H14 | 179.7° | 179.9° |
| C20 | C25 | C24 | C23 | 0.3° | 0.0° |
| C20 | C25 | C24 | C17 | 177.9° | 179.9° |
| C20 | C25 | C17 | C18 | 0.3° | 0.3° |
| C20 | C25 | C17 | N4 | 174.1° | 180.0° |
| C25 | C20 | C21 | H12 | 180.0° | 180.0° |
| C20 | C25 | C24 | H14 | 179.7° | 179.9° |
| C25 | C20 | C19 | H36 | 179.1° | 179.9° |
| N5 | C18 | C17 | C25 | 0.2° | 0.3° |
| N5 | C18 | C17 | H37 | 180.0° | 180.0° |
| N5 | C18 | C17 | N4 | 174.3° | 180.0° |
| C18 | N5 | C19 | H36 | 179.5° | 180.0° |
| C23 | C24 | C25 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | C17 | 177.7° | 180.0° |
| C24 | C23 | C22 | H13 | 179.3° | 180.0° |
| C24 | C25 | C17 | C18 | 178.2° | 179.7° |
| C24 | C25 | C17 | N4 | 3.9° | 0.0° |
| C25 | C24 | C23 | H35 | 179.7° | 180.0° |
| C25 | C17 | C18 | N4 | 174.0° | 179.7° |
| C25 | C17 | N4 | C16 | 91.6° | 154.3° |
| C17 | C25 | C24 | H14 | 2.3° | 0.0° |
| C25 | C17 | N4 | H34 | 88.4° | 25.6° |
| C25 | C17 | C18 | H37 | 179.7° | 179.7° |
| C18 | C17 | N4 | C16 | 82.4° | 25.4° |
| C18 | C17 | N4 | H34 | 97.6° | 154.7° |
| C17 | N4 | C16 | H34 | 180.0° | 179.9° |
| C17 | N4 | C16 | C15 | 179.6° | 175.9° |
| C17 | N4 | C16 | O | 0.4° | 4.2° |
| N4 | C17 | C18 | H37 | 5.7° | 0.0° |
| N4 | C16 | C15 | C14 | 76.6° | 179.6° |
| N4 | C16 | C15 | O | 180.0° | 179.9° |
| N4 | C16 | C15 | C30 | 162.0° | 59.9° |
| N4 | C16 | C15 | H11 | 42.0° | 59.8° |
| C15 | C14 | N3 | H32 | 119.9° | 119.7° |
| C15 | C14 | N3 | H33 | 119.9° | 119.7° |
| C14 | C15 | C16 | C30 | 121.4° | 120.5° |
| C14 | C15 | C16 | H11 | 118.7° | 119.8° |
| C14 | C15 | C16 | O | 103.3° | 0.5° |
| C14 | C15 | C30 | H11 | 119.0° | 120.2° |
| C15 | C14 | N3 | C13 | 165.4° | 165.3° |
| C15 | C14 | N3 | C26 | 68.5° | 71.3° |
| C14 | C15 | C30 | C31 | 155.7° | 163.2° |
| C14 | C15 | C30 | C27 | 26.9° | 16.8° |
| C15 | C14 | H32 | H33 | 120.3° | 120.5° |
| N3 | C14 | C15 | C16 | 65.7° | 69.7° |
| N3 | C14 | C15 | C30 | 56.5° | 50.4° |
| C14 | N3 | C13 | C12 | 130.1° | 171.0° |
| C14 | N3 | C13 | C26 | 125.6° | 123.0° |
| C14 | N3 | C26 | C27 | 46.1° | 52.5° |
| C14 | N3 | C13 | H9 | 109.0° | 51.0° |
| C14 | N3 | C13 | H10 | 9.3° | 69.1° |
| N3 | C14 | C15 | H11 | 175.7° | 170.5° |
| C14 | N3 | C26 | H15 | 166.6° | 172.7° |
| C14 | N3 | C26 | H16 | 74.4° | 67.8° |
| N3 | C14 | H32 | H33 | 120.3° | 120.5° |
| C16 | C15 | C30 | H11 | 119.8° | 119.7° |
| C16 | C15 | C30 | C31 | 83.2° | 76.7° |
| C16 | C15 | C30 | C27 | 94.3° | 103.3° |
| C16 | C15 | C14 | H32 | 54.2° | 170.6° |
| C16 | C15 | C14 | H33 | 174.4° | 50.0° |
| C15 | C16 | N4 | H34 | 0.4° | 4.1° |
| O | C16 | C15 | C30 | 18.0° | 120.0° |
| O | C16 | C15 | H11 | 138.0° | 120.3° |
| O | C16 | N4 | H34 | 179.6° | 175.8° |
| C15 | C30 | C31 | C27 | 177.5° | 180.0° |
| C15 | C30 | C31 | C32 | 175.1° | 179.8° |
| C15 | C30 | C27 | C26 | 6.9° | 0.3° |
| C15 | C30 | C27 | C28 | 174.9° | 179.8° |
| C15 | C30 | C31 | H30 | 4.9° | 0.1° |
| C30 | C15 | C14 | H32 | 176.4° | 69.3° |
| C30 | C15 | C14 | H33 | 63.4° | 170.1° |
| O1 | C12 | C13 | N2 | 179.5° | 180.0° |
| O1 | C12 | C13 | N3 | 176.7° | 0.0° |
| O1 | C12 | N2 | C11 | 1.5° | 5.4° |
| O1 | C12 | C13 | H9 | 62.5° | 120.0° |
| O1 | C12 | C13 | H10 | 55.9° | 120.0° |
| O1 | C12 | N2 | H18 | 178.5° | 174.6° |
| C12 | C13 | N3 | H9 | 120.8° | 120.0° |
| C12 | C13 | N3 | H10 | 120.8° | 120.0° |
| C12 | C13 | N3 | C26 | 104.3° | 66.0° |
| C13 | C12 | N2 | C11 | 179.1° | 174.6° |
| C12 | C13 | H9 | H10 | 117.5° | 120.0° |
| C13 | C12 | N2 | H18 | 0.9° | 5.4° |
| N3 | C13 | C12 | N2 | 3.8° | 180.0° |
| C13 | N3 | C26 | C27 | 171.6° | 175.9° |
| N3 | C13 | H9 | H10 | 117.5° | 120.0° |
| C13 | N3 | C26 | H15 | 67.9° | 63.9° |
| C13 | N3 | C26 | H16 | 51.1° | 55.6° |
| C13 | N3 | C14 | H32 | 45.5° | 75.0° |
| C13 | N3 | C14 | H33 | 74.7° | 45.6° |
| C12 | N2 | C11 | H18 | 180.0° | 180.0° |
| C12 | N2 | C11 | C10 | 158.3° | 34.7° |
| C12 | N2 | C11 | C8 | 23.4° | 145.2° |
| N2 | C12 | C13 | H9 | 117.0° | 60.0° |
| N2 | C12 | C13 | H10 | 124.6° | 60.0° |
| N3 | C26 | C27 | C30 | 15.5° | 17.4° |
| N3 | C26 | C27 | H15 | 120.5° | 120.3° |
| N3 | C26 | C27 | H16 | 120.5° | 120.3° |
| N3 | C26 | C27 | C28 | 166.4° | 162.7° |
| C26 | N3 | C13 | H9 | 16.5° | 174.0° |
| C26 | N3 | C13 | H10 | 134.9° | 53.9° |
| N3 | C26 | H15 | H16 | 118.5° | 119.5° |
| C26 | N3 | C14 | H32 | 171.6° | 48.4° |
| C26 | N3 | C14 | H33 | 51.4° | 169.0° |
| N2 | C11 | C10 | C8 | 178.4° | 179.9° |
| N2 | C11 | C10 | C9 | 177.1° | 179.8° |
| N2 | C11 | C8 | C7 | 176.9° | 180.0° |
| N2 | C11 | C8 | H7 | 3.1° | 0.0° |
| N2 | C11 | C10 | H8 | 2.9° | 0.3° |
| C11 | C10 | C9 | H8 | 180.0° | 179.5° |
| C10 | C11 | C8 | C7 | 1.4° | 0.0° |
| C11 | C10 | C9 | C6 | 0.6° | 0.5° |
| C10 | C11 | C8 | H7 | 178.6° | 179.9° |
| C10 | C11 | N2 | H18 | 21.7° | 145.3° |
| C11 | C10 | C9 | H19 | 179.4° | 179.9° |
| C8 | C11 | C10 | C9 | 1.3° | 0.3° |
| C11 | C8 | C7 | H7 | 180.0° | 180.0° |
| C11 | C8 | C7 | C6 | 0.4° | 0.0° |
| C11 | C8 | C7 | H6 | 179.6° | 180.0° |
| C8 | C11 | C10 | H8 | 178.7° | 179.8° |
| C8 | C11 | N2 | H18 | 156.6° | 34.8° |
| C10 | C9 | C6 | H19 | 180.0° | 179.5° |
| C10 | C9 | C6 | C7 | 2.3° | 0.5° |
| C10 | C9 | C6 | N1 | 174.9° | 179.7° |
| C8 | C7 | C6 | C9 | 2.2° | 0.2° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C8 | C7 | C6 | N1 | 175.0° | 180.0° |
| C9 | C6 | C7 | N1 | 177.2° | 179.8° |
| C9 | C6 | N1 | C5 | 173.9° | 0.2° |
| C9 | C6 | N1 | C3 | 22.2° | 123.6° |
| C9 | C6 | C7 | H6 | 177.8° | 179.8° |
| C6 | C9 | C10 | H8 | 179.4° | 180.0° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C31 | C30 | C27 | C26 | 175.6° | 179.7° |
| C31 | C30 | C27 | C28 | 2.6° | 0.3° |
| C30 | C31 | C32 | CL | 179.9° | 179.9° |
| C30 | C31 | C32 | C29 | 0.3° | 0.0° |
| C31 | C30 | C15 | H11 | 36.7° | 43.0° |
| C27 | C30 | C31 | C32 | 2.3° | 0.2° |
| C30 | C27 | C26 | C28 | 178.1° | 180.0° |
| C30 | C27 | C28 | C29 | 0.8° | 0.1° |
| C27 | C30 | C15 | H11 | 145.9° | 137.0° |
| C30 | C27 | C26 | H15 | 135.9° | 137.7° |
| C30 | C27 | C26 | H16 | 105.0° | 102.9° |
| C30 | C27 | C28 | H17 | 179.2° | 179.8° |
| C27 | C30 | C31 | H30 | 177.7° | 179.8° |
| C7 | C6 | N1 | C5 | 3.3° | 180.0° |
| C7 | C6 | N1 | C3 | 155.0° | 56.2° |
| C6 | C7 | C8 | H7 | 179.6° | 180.0° |
| C7 | C6 | C9 | H19 | 177.7° | 180.0° |
| C6 | N1 | C5 | C3 | 153.4° | 123.8° |
| C6 | N1 | C5 | C4 | 154.3° | 176.8° |
| C6 | N1 | C3 | C2 | 153.0° | 176.8° |
| C6 | N1 | C5 | H4 | 34.1° | 56.9° |
| C6 | N1 | C5 | H5 | 85.5° | 63.2° |
| N1 | C6 | C7 | H6 | 5.0° | 0.0° |
| N1 | C6 | C9 | H19 | 5.1° | 0.2° |
| C6 | N1 | C3 | H20 | 87.0° | 63.2° |
| C6 | N1 | C3 | H21 | 32.8° | 56.9° |
| C31 | C32 | CL | C29 | 179.8° | 180.0° |
| C31 | C32 | C29 | C28 | 1.4° | 0.1° |
| C31 | C32 | C29 | H31 | 178.6° | 179.9° |
| N1 | C5 | C4 | H4 | 120.2° | 119.9° |
| N1 | C5 | C4 | H5 | 120.2° | 119.9° |
| N1 | C5 | C4 | N | 54.6° | 58.4° |
| C5 | N1 | C3 | C2 | 53.5° | 59.3° |
| N1 | C5 | C4 | H2 | 65.5° | 61.6° |
| N1 | C5 | C4 | H3 | 174.8° | 178.4° |
| N1 | C5 | H4 | H5 | 119.5° | 120.1° |
| C5 | N1 | C3 | H20 | 66.6° | 60.6° |
| C5 | N1 | C3 | H21 | 173.7° | 179.3° |
| C3 | N1 | C5 | C4 | 52.3° | 59.3° |
| N1 | C3 | C2 | H20 | 120.1° | 119.9° |
| N1 | C3 | C2 | H21 | 120.1° | 120.0° |
| N1 | C3 | C2 | N | 57.2° | 58.4° |
| C3 | N1 | C5 | H4 | 172.5° | 179.3° |
| C3 | N1 | C5 | H5 | 67.9° | 60.6° |
| N1 | C3 | H20 | H21 | 119.6° | 120.1° |
| N1 | C3 | C2 | H22 | 177.3° | 178.4° |
| N1 | C3 | C2 | H23 | 63.0° | 61.6° |
| C5 | C4 | N | H2 | 120.2° | 120.0° |
| C5 | C4 | N | H3 | 120.2° | 119.9° |
| C5 | C4 | N | C2 | 59.5° | 59.3° |
| C5 | C4 | N | C1 | 177.6° | 176.8° |
| C5 | C4 | H2 | H3 | 119.5° | 120.0° |
| C4 | C5 | H4 | H5 | 119.4° | 120.1° |
| C4 | N | C2 | C3 | 60.9° | 59.3° |
| C4 | N | C2 | C1 | 122.9° | 123.9° |
| C4 | N | C1 | C | 135.3° | 170.0° |
| N | C4 | H2 | H3 | 119.5° | 120.1° |
| N | C4 | C5 | H4 | 174.8° | 178.3° |
| N | C4 | C5 | H5 | 65.6° | 61.5° |
| C4 | N | C2 | H22 | 179.0° | 179.3° |
| C4 | N | C2 | H23 | 59.3° | 60.7° |
| C4 | N | C1 | H25 | 104.0° | 70.0° |
| C4 | N | C1 | H26 | 14.6° | 50.0° |
| C26 | C27 | C28 | C29 | 177.4° | 179.8° |
| C27 | C26 | H15 | H16 | 118.6° | 119.4° |
| C26 | C27 | C28 | H17 | 2.6° | 0.2° |
| C3 | C2 | N | H22 | 120.1° | 120.0° |
| C3 | C2 | N | H23 | 120.1° | 120.0° |
| C3 | C2 | N | C1 | 176.2° | 176.8° |
| C2 | C3 | H20 | H21 | 119.7° | 120.1° |
| C3 | C2 | H22 | H23 | 119.6° | 120.1° |
| C2 | N | C1 | C | 102.5° | 66.2° |
| C2 | N | C4 | H2 | 60.6° | 60.6° |
| C2 | N | C4 | H3 | 179.7° | 179.3° |
| N | C2 | C3 | H20 | 62.9° | 61.5° |
| N | C2 | C3 | H21 | 177.3° | 178.4° |
| N | C2 | H22 | H23 | 119.7° | 120.0° |
| C2 | N | C1 | H25 | 18.1° | 53.8° |
| C2 | N | C1 | H26 | 136.8° | 173.8° |
| C27 | C28 | C29 | C32 | 1.2° | 0.0° |
| C27 | C28 | C29 | H17 | 180.0° | 180.0° |
| C28 | C27 | C26 | H15 | 46.0° | 42.3° |
| C28 | C27 | C26 | H16 | 73.1° | 77.1° |
| C27 | C28 | C29 | H31 | 178.8° | 180.0° |
| N | C1 | C | H25 | 120.7° | 120.0° |
| N | C1 | C | H26 | 120.7° | 120.0° |
| C1 | N | C4 | H2 | 62.2° | 63.3° |
| C1 | N | C4 | H3 | 57.4° | 56.8° |
| C1 | N | C2 | H22 | 56.1° | 56.8° |
| C1 | N | C2 | H23 | 63.6° | 63.2° |
| N | C1 | H25 | H26 | 118.0° | 120.0° |
| N | C1 | C | H27 | 180.0° | 180.0° |
| N | C1 | C | H28 | 60.0° | 60.0° |
| N | C1 | C | H29 | 60.0° | 60.0° |
| C | C1 | H25 | H26 | 117.9° | 120.0° |
| C1 | C | H27 | H28 | 120.0° | 120.1° |
| C1 | C | H27 | H29 | 120.0° | 120.0° |
| C1 | C | H28 | H29 | 120.0° | 120.0° |
| CL | C32 | C29 | C28 | 178.4° | 179.9° |
| CL | C32 | C31 | H30 | 0.1° | 0.0° |
| CL | C32 | C29 | H31 | 1.6° | 0.0° |
| C32 | C29 | C28 | H31 | 180.0° | 180.0° |
| C32 | C29 | C28 | H17 | 178.8° | 180.0° |
| C29 | C32 | C31 | H30 | 179.7° | 180.0° |
| H2 | C4 | C5 | H4 | 54.6° | 58.4° |
| H2 | C4 | C5 | H5 | 174.3° | 178.5° |
| H3 | C4 | C5 | H4 | 65.0° | 61.7° |
| H3 | C4 | C5 | H5 | 54.6° | 58.5° |
| H6 | C7 | C8 | H7 | 0.4° | 0.0° |
| H8 | C10 | C9 | H19 | 0.6° | 0.5° |
| H11 | C15 | C14 | H32 | 64.4° | 50.8° |
| H11 | C15 | C14 | H33 | 55.8° | 69.8° |
| H12 | C21 | C22 | H13 | 0.5° | 0.1° |
| H13 | C22 | C23 | H35 | 0.7° | 0.1° |
| H14 | C24 | C23 | H35 | 0.3° | 0.0° |
| H17 | C28 | C29 | H31 | 1.2° | 0.0° |
| H20 | C3 | C2 | H22 | 57.2° | 58.4° |
| H20 | C3 | C2 | H23 | 176.9° | 178.5° |
| H21 | C3 | C2 | H22 | 62.6° | 61.6° |
| H21 | C3 | C2 | H23 | 57.1° | 58.4° |
| H25 | C1 | C | H27 | 59.4° | 59.9° |
| H25 | C1 | C | H28 | 179.3° | 180.0° |
| H25 | C1 | C | H29 | 60.7° | 60.0° |
| H26 | C1 | C | H27 | 59.3° | 60.0° |
| H26 | C1 | C | H28 | 60.7° | 60.0° |
| H26 | C1 | C | H29 | 179.3° | 180.0° |
| H27 | C | H28 | H29 | 120.0° | 120.0° |
