S1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | N2 | sing | 1.31Å | 1.32Å | Aromatic |
| C8 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| N2 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.41Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | O2 | sing | 1.43Å | 1.43Å | |
| C27 | N4 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.35Å | 1.35Å | |
| O2 | C25 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| N4 | C23 | sing | 1.40Å | 1.38Å | |
| N4 | C24 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C18 | sing | 1.51Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | N3 | sing | 1.35Å | 1.35Å | |
| N | C14 | sing | 1.47Å | 1.47Å | |
| N3 | C21 | sing | 1.40Å | 1.42Å | |
| C21 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | CL | sing | 1.74Å | 1.74Å | |
| C20 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 120.7° | 119.5° |
| C9 | C10 | C11 | 120.5° | 121.1° |
| C9 | C10 | H5 | 119.7° | 119.5° |
| C10 | C9 | H18 | 119.6° | 120.2° |
| C9 | C8 | C7 | 123.1° | 122.0° |
| C9 | C8 | C13 | 119.0° | 119.3° |
| C8 | C9 | H18 | 119.7° | 120.3° |
| C10 | C11 | C12 | 120.6° | 121.0° |
| C11 | C10 | H5 | 119.7° | 119.5° |
| C10 | C11 | H17 | 119.7° | 119.5° |
| C8 | C7 | N2 | 124.2° | 120.2° |
| C7 | C8 | C13 | 117.8° | 118.7° |
| C8 | C7 | H4 | 117.9° | 119.9° |
| C7 | N2 | C6 | 117.4° | 122.9° |
| N2 | C7 | H4 | 117.9° | 119.9° |
| C8 | C13 | C12 | 118.1° | 119.6° |
| C8 | C13 | C5 | 118.1° | 118.2° |
| C11 | C12 | C13 | 121.0° | 119.5° |
| C11 | C12 | H16 | 119.5° | 120.3° |
| C12 | C11 | H17 | 119.7° | 119.5° |
| N2 | C6 | C5 | 125.2° | 121.6° |
| N2 | C6 | H3 | 117.4° | 119.2° |
| C12 | C13 | C5 | 123.9° | 122.2° |
| C13 | C12 | H16 | 119.5° | 120.2° |
| C13 | C5 | C6 | 117.3° | 118.5° |
| C13 | C5 | N1 | 118.6° | 120.7° |
| C6 | C5 | N1 | 124.0° | 120.8° |
| C5 | C6 | H3 | 117.4° | 119.2° |
| C5 | N1 | C4 | 127.6° | 120.0° |
| C5 | N1 | H1 | 116.2° | 120.0° |
| C27 | C26 | O2 | 111.5° | 109.3° |
| C26 | C27 | N4 | 109.8° | 109.3° |
| C27 | C26 | H10 | 108.9° | 109.5° |
| C27 | C26 | H11 | 109.0° | 109.6° |
| C26 | C27 | H28 | 109.4° | 109.4° |
| C26 | C27 | H29 | 109.4° | 109.5° |
| C26 | O2 | C25 | 110.8° | 113.8° |
| O2 | C26 | H10 | 109.0° | 109.4° |
| O2 | C26 | H11 | 108.9° | 109.6° |
| C27 | N4 | C23 | 121.0° | 111.0° |
| C27 | N4 | C24 | 117.1° | 110.8° |
| N4 | C27 | H28 | 109.4° | 109.5° |
| N4 | C27 | H29 | 109.4° | 109.5° |
| N1 | C4 | C3 | 114.7° | 120.0° |
| N1 | C4 | O1 | 123.0° | 120.0° |
| C4 | N1 | H1 | 116.2° | 120.0° |
| O2 | C25 | C24 | 111.5° | 109.2° |
| O2 | C25 | H30 | 109.0° | 109.5° |
| O2 | C25 | H31 | 109.0° | 109.5° |
| C3 | C2 | N | 108.8° | 108.5° |
| C2 | C3 | C4 | 109.7° | 109.4° |
| C2 | C3 | C18 | 110.0° | 109.9° |
| C2 | C3 | H15 | 109.3° | 109.3° |
| C3 | C2 | H19 | 109.7° | 109.6° |
| C3 | C2 | H20 | 109.6° | 109.6° |
| C2 | N | C1 | 112.1° | 111.0° |
| C2 | N | C14 | 111.2° | 110.2° |
| N | C2 | H19 | 109.6° | 109.6° |
| N | C2 | H20 | 109.6° | 109.7° |
| C23 | N4 | C24 | 121.8° | 111.0° |
| N4 | C23 | C22 | 120.7° | 120.0° |
| N4 | C23 | C28 | 120.7° | 120.0° |
| N4 | C24 | C25 | 109.8° | 109.3° |
| N4 | C24 | H8 | 109.4° | 109.5° |
| N4 | C24 | H9 | 109.4° | 109.5° |
| C3 | C4 | O1 | 122.3° | 120.0° |
| C4 | C3 | C18 | 109.3° | 109.4° |
| C4 | C3 | H15 | 109.2° | 109.4° |
| C3 | C18 | C19 | 120.2° | 118.5° |
| C3 | C18 | C15 | 120.3° | 121.6° |
| C18 | C3 | H15 | 109.4° | 109.4° |
| C25 | C24 | H8 | 109.4° | 109.5° |
| C25 | C24 | H9 | 109.4° | 109.5° |
| C24 | C25 | H30 | 108.9° | 109.6° |
| C24 | C25 | H31 | 109.0° | 109.5° |
| C23 | C22 | C21 | 121.3° | 119.9° |
| C22 | C23 | C28 | 118.6° | 119.9° |
| C23 | C22 | H7 | 119.3° | 120.0° |
| C22 | C21 | N3 | 121.4° | 120.1° |
| C22 | C21 | C30 | 119.4° | 119.9° |
| C21 | C22 | H7 | 119.3° | 120.1° |
| C23 | C28 | C29 | 120.2° | 120.1° |
| C23 | C28 | H12 | 119.9° | 120.0° |
| C | C1 | N | 114.1° | 109.5° |
| C1 | C | O | 120.9° | 120.0° |
| C1 | C | N3 | 114.6° | 120.0° |
| C | C1 | H24 | 108.3° | 109.5° |
| C | C1 | H25 | 108.3° | 109.5° |
| C1 | N | C14 | 113.6° | 111.0° |
| N | C1 | H24 | 108.3° | 109.4° |
| N | C1 | H25 | 108.3° | 109.4° |
| O | C | N3 | 124.5° | 120.0° |
| C | N3 | C21 | 128.4° | 120.0° |
| C | N3 | H2 | 115.8° | 120.1° |
| N | C14 | C15 | 112.4° | 110.5° |
| N | C14 | H21 | 108.7° | 109.3° |
| N | C14 | H22 | 108.7° | 109.3° |
| N3 | C21 | C30 | 119.1° | 120.1° |
| C21 | N3 | H2 | 115.8° | 120.0° |
| C21 | C30 | C29 | 119.8° | 120.1° |
| C21 | C30 | H26 | 120.1° | 119.9° |
| C28 | C29 | C30 | 120.7° | 120.2° |
| C29 | C28 | H12 | 119.9° | 120.0° |
| C28 | C29 | H27 | 119.6° | 120.0° |
| C19 | C18 | C15 | 119.5° | 119.9° |
| C18 | C19 | C20 | 119.9° | 120.3° |
| C18 | C19 | H14 | 120.1° | 119.8° |
| C18 | C15 | C14 | 121.0° | 121.8° |
| C18 | C15 | C16 | 119.0° | 119.8° |
| C19 | C20 | CL | 118.9° | 120.1° |
| C19 | C20 | C17 | 121.5° | 119.8° |
| C20 | C19 | H14 | 120.1° | 119.9° |
| C29 | C30 | H26 | 120.1° | 120.0° |
| C30 | C29 | H27 | 119.6° | 119.9° |
| C14 | C15 | C16 | 120.0° | 118.4° |
| C15 | C14 | H21 | 108.7° | 109.2° |
| C15 | C14 | H22 | 108.8° | 109.3° |
| C15 | C16 | C17 | 121.1° | 120.4° |
| C15 | C16 | H13 | 119.5° | 119.8° |
| CL | C20 | C17 | 119.5° | 120.1° |
| C20 | C17 | C16 | 118.9° | 119.8° |
| C20 | C17 | H6 | 120.5° | 120.1° |
| C16 | C17 | H6 | 120.6° | 120.1° |
| C17 | C16 | H13 | 119.4° | 119.8° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H19 | C2 | H20 | 109.5° | 109.7° |
| H21 | C14 | H22 | 109.5° | 109.2° |
| H24 | C1 | H25 | 109.4° | 109.4° |
| H28 | C27 | H29 | 109.5° | 109.6° |
| H30 | C25 | H31 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H18 | 180.0° | 179.5° |
| C9 | C10 | C11 | H5 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 178.2° | 179.7° |
| C10 | C9 | C8 | C13 | 1.4° | 0.5° |
| C9 | C10 | C11 | C12 | 1.0° | 0.2° |
| C9 | C10 | C11 | H17 | 179.0° | 179.7° |
| C8 | C9 | C10 | C11 | 0.4° | 0.5° |
| C9 | C8 | C7 | C13 | 179.5° | 179.8° |
| C9 | C8 | C7 | N2 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 1.0° | 0.2° |
| C9 | C8 | C13 | C5 | 179.1° | 179.7° |
| C9 | C8 | C7 | H4 | 0.1° | 0.2° |
| C8 | C9 | C10 | H5 | 179.6° | 179.7° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.4° | 0.0° |
| C10 | C11 | C12 | H16 | 178.6° | 180.0° |
| C11 | C10 | C9 | H18 | 179.6° | 180.0° |
| C8 | C7 | N2 | H4 | 180.0° | 179.7° |
| C8 | C7 | N2 | C6 | 0.4° | 0.3° |
| C7 | C8 | C13 | C12 | 178.6° | 179.9° |
| C7 | C8 | C13 | C5 | 1.3° | 0.1° |
| C7 | C8 | C9 | H18 | 1.8° | 0.2° |
| N2 | C7 | C8 | C13 | 0.4° | 0.2° |
| C7 | N2 | C6 | C5 | 0.1° | 0.0° |
| C7 | N2 | C6 | H3 | 179.9° | 180.0° |
| C8 | C13 | C12 | C11 | 0.4° | 0.0° |
| C8 | C13 | C12 | C5 | 179.9° | 180.0° |
| C8 | C13 | C5 | C6 | 1.6° | 0.3° |
| C8 | C13 | C5 | N1 | 174.4° | 180.0° |
| C13 | C8 | C7 | H4 | 179.7° | 179.9° |
| C8 | C13 | C12 | H16 | 179.6° | 180.0° |
| C13 | C8 | C9 | H18 | 178.6° | 180.0° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C11 | C12 | C13 | C5 | 179.5° | 180.0° |
| C12 | C11 | C10 | H5 | 179.0° | 180.0° |
| N2 | C6 | C5 | C13 | 0.9° | 0.3° |
| N2 | C6 | C5 | H3 | 180.0° | 180.0° |
| N2 | C6 | C5 | N1 | 174.8° | 180.0° |
| C6 | N2 | C7 | H4 | 179.6° | 180.0° |
| C12 | C13 | C5 | C6 | 178.4° | 179.7° |
| C12 | C13 | C5 | N1 | 5.7° | 0.0° |
| C13 | C12 | C11 | H17 | 178.6° | 180.0° |
| C13 | C5 | C6 | N1 | 175.7° | 179.7° |
| C13 | C5 | N1 | C4 | 91.8° | 145.6° |
| C13 | C5 | N1 | H1 | 88.2° | 34.7° |
| C13 | C5 | C6 | H3 | 179.1° | 179.7° |
| C5 | C13 | C12 | H16 | 0.5° | 0.0° |
| C6 | C5 | N1 | C4 | 83.9° | 34.7° |
| C6 | C5 | N1 | H1 | 96.2° | 145.0° |
| C5 | N1 | C4 | H1 | 180.0° | 179.7° |
| C5 | N1 | C4 | C3 | 178.8° | 175.8° |
| C5 | N1 | C4 | O1 | 1.7° | 4.3° |
| N1 | C5 | C6 | H3 | 5.1° | 0.0° |
| C27 | C26 | O2 | H10 | 120.3° | 119.9° |
| C27 | C26 | O2 | H11 | 120.3° | 120.0° |
| C26 | C27 | N4 | H28 | 120.1° | 119.8° |
| C26 | C27 | N4 | H29 | 120.1° | 120.0° |
| C27 | C26 | O2 | C25 | 61.2° | 58.6° |
| C26 | C27 | N4 | C23 | 131.1° | 177.6° |
| C26 | C27 | N4 | C24 | 46.8° | 58.5° |
| C27 | C26 | H10 | H11 | 119.1° | 120.1° |
| C26 | C27 | H28 | H29 | 119.8° | 120.1° |
| O2 | C26 | C27 | N4 | 52.3° | 56.7° |
| C26 | O2 | C25 | C24 | 61.2° | 58.6° |
| O2 | C26 | H10 | H11 | 119.1° | 120.1° |
| O2 | C26 | C27 | H28 | 172.4° | 63.1° |
| O2 | C26 | C27 | H29 | 67.8° | 176.7° |
| C26 | O2 | C25 | H30 | 178.5° | 178.6° |
| C26 | O2 | C25 | H31 | 59.1° | 61.3° |
| C27 | N4 | C23 | C24 | 177.8° | 123.7° |
| C27 | N4 | C24 | C25 | 46.7° | 58.6° |
| C27 | N4 | C23 | C22 | 55.1° | 56.3° |
| C27 | N4 | C23 | C28 | 124.0° | 123.6° |
| C27 | N4 | C24 | H8 | 166.8° | 61.4° |
| C27 | N4 | C24 | H9 | 73.3° | 178.6° |
| N4 | C27 | C26 | H10 | 172.6° | 63.1° |
| N4 | C27 | C26 | H11 | 68.0° | 176.8° |
| N4 | C27 | H28 | H29 | 119.8° | 120.1° |
| N1 | C4 | C3 | C2 | 80.2° | 179.6° |
| N1 | C4 | C3 | O1 | 179.5° | 179.9° |
| N1 | C4 | C3 | C18 | 159.1° | 60.0° |
| N1 | C4 | C3 | H15 | 39.6° | 59.8° |
| O2 | C25 | C24 | N4 | 52.2° | 56.8° |
| O2 | C25 | C24 | H30 | 120.3° | 119.9° |
| O2 | C25 | C24 | H31 | 120.3° | 119.9° |
| O2 | C25 | C24 | H8 | 172.2° | 63.1° |
| O2 | C25 | C24 | H9 | 67.8° | 176.9° |
| C25 | O2 | C26 | H10 | 178.5° | 61.3° |
| C25 | O2 | C26 | H11 | 59.1° | 178.6° |
| O2 | C25 | H30 | H31 | 119.1° | 120.1° |
| C3 | C2 | N | H19 | 119.9° | 119.7° |
| C3 | C2 | N | H20 | 119.9° | 119.8° |
| C2 | C3 | C4 | C18 | 120.7° | 120.5° |
| C2 | C3 | C4 | H15 | 119.7° | 119.7° |
| C2 | C3 | C4 | O1 | 99.4° | 0.5° |
| C2 | C3 | C18 | H15 | 120.0° | 120.1° |
| C3 | C2 | N | C1 | 162.7° | 165.3° |
| C3 | C2 | N | C14 | 68.9° | 71.2° |
| C2 | C3 | C18 | C19 | 156.6° | 163.1° |
| C2 | C3 | C18 | C15 | 25.5° | 17.1° |
| C3 | C2 | H19 | H20 | 120.3° | 120.5° |
| N | C2 | C3 | C4 | 65.1° | 69.7° |
| N | C2 | C3 | C18 | 55.1° | 50.4° |
| C2 | N | C1 | C | 133.7° | 170.0° |
| C2 | N | C1 | C14 | 127.1° | 123.0° |
| C2 | N | C14 | C15 | 48.4° | 52.5° |
| N | C2 | C3 | H15 | 175.2° | 170.6° |
| N | C2 | H19 | H20 | 120.3° | 120.5° |
| C2 | N | C14 | H21 | 168.8° | 67.7° |
| C2 | N | C14 | H22 | 72.1° | 172.8° |
| C2 | N | C1 | H24 | 105.6° | 50.0° |
| C2 | N | C1 | H25 | 13.0° | 69.9° |
| C23 | N4 | C24 | C25 | 131.2° | 177.6° |
| N4 | C23 | C22 | C28 | 179.1° | 179.9° |
| N4 | C23 | C22 | C21 | 178.4° | 180.0° |
| N4 | C23 | C28 | C29 | 178.5° | 179.7° |
| N4 | C23 | C22 | H7 | 1.6° | 0.0° |
| C23 | N4 | C24 | H8 | 11.1° | 62.4° |
| C23 | N4 | C24 | H9 | 108.8° | 57.6° |
| N4 | C23 | C28 | H12 | 1.4° | 0.0° |
| C23 | N4 | C27 | H28 | 11.1° | 62.5° |
| C23 | N4 | C27 | H29 | 108.8° | 57.6° |
| N4 | C24 | C25 | H8 | 120.1° | 120.0° |
| N4 | C24 | C25 | H9 | 120.0° | 120.0° |
| C24 | N4 | C23 | C22 | 122.7° | 180.0° |
| C24 | N4 | C23 | C28 | 58.2° | 0.1° |
| N4 | C24 | H8 | H9 | 119.8° | 120.1° |
| C24 | N4 | C27 | H28 | 166.9° | 61.3° |
| C24 | N4 | C27 | H29 | 73.3° | 178.5° |
| N4 | C24 | C25 | H30 | 172.5° | 176.8° |
| N4 | C24 | C25 | H31 | 68.1° | 63.0° |
| C4 | C3 | C18 | H15 | 119.5° | 119.8° |
| C4 | C3 | C18 | C19 | 82.8° | 76.8° |
| C4 | C3 | C18 | C15 | 95.0° | 103.1° |
| C3 | C4 | N1 | H1 | 1.2° | 4.5° |
| C4 | C3 | C2 | H19 | 54.8° | 50.0° |
| C4 | C3 | C2 | H20 | 175.0° | 170.5° |
| O1 | C4 | C3 | C18 | 21.3° | 119.9° |
| O1 | C4 | N1 | H1 | 178.3° | 175.5° |
| O1 | C4 | C3 | H15 | 140.9° | 120.2° |
| C3 | C18 | C19 | C15 | 177.8° | 179.9° |
| C3 | C18 | C19 | C20 | 174.9° | 179.7° |
| C3 | C18 | C15 | C14 | 7.3° | 0.7° |
| C3 | C18 | C15 | C16 | 174.3° | 179.6° |
| C3 | C18 | C19 | H14 | 5.1° | 0.4° |
| C18 | C3 | C2 | H19 | 175.0° | 170.1° |
| C18 | C3 | C2 | H20 | 64.8° | 69.3° |
| C25 | C24 | H8 | H9 | 119.9° | 120.1° |
| C24 | C25 | H30 | H31 | 119.1° | 120.1° |
| C23 | C22 | C21 | H7 | 180.0° | 179.9° |
| C23 | C22 | C21 | N3 | 179.0° | 180.0° |
| C23 | C22 | C21 | C30 | 0.2° | 0.3° |
| C22 | C23 | C28 | C29 | 0.6° | 0.2° |
| C22 | C23 | C28 | H12 | 179.4° | 180.0° |
| C21 | C22 | C23 | C28 | 0.7° | 0.1° |
| C22 | C21 | N3 | C | 29.8° | 144.6° |
| C22 | C21 | N3 | C30 | 179.2° | 179.7° |
| C22 | C21 | C30 | C29 | 0.4° | 0.3° |
| C22 | C21 | N3 | H2 | 150.2° | 35.4° |
| C22 | C21 | C30 | H26 | 179.6° | 179.7° |
| C23 | C28 | C29 | H12 | 180.0° | 179.7° |
| C23 | C28 | C29 | C30 | 0.0° | 0.3° |
| C28 | C23 | C22 | H7 | 179.3° | 180.0° |
| C23 | C28 | C29 | H27 | 180.0° | 179.9° |
| C | C1 | N | H24 | 120.7° | 120.1° |
| C | C1 | N | H25 | 120.7° | 120.0° |
| C1 | C | O | N3 | 180.0° | 180.0° |
| C | C1 | N | C14 | 99.2° | 67.0° |
| C1 | C | N3 | C21 | 173.1° | 175.5° |
| C1 | C | N3 | H2 | 6.8° | 4.4° |
| C | C1 | H24 | H25 | 117.9° | 120.1° |
| N | C1 | C | O | 163.8° | 0.0° |
| N | C1 | C | N3 | 16.2° | 180.0° |
| C1 | N | C14 | C15 | 175.9° | 176.0° |
| C1 | N | C2 | H19 | 42.8° | 45.6° |
| C1 | N | C2 | H20 | 77.4° | 74.9° |
| C1 | N | C14 | H21 | 63.7° | 55.8° |
| C1 | N | C14 | H22 | 55.5° | 63.7° |
| N | C1 | H24 | H25 | 117.9° | 119.9° |
| O | C | N3 | C21 | 6.9° | 4.5° |
| O | C | N3 | H2 | 173.1° | 175.5° |
| O | C | C1 | H24 | 43.1° | 120.0° |
| O | C | C1 | H25 | 75.5° | 120.0° |
| C | N3 | C21 | H2 | 180.0° | 179.9° |
| C | N3 | C21 | C30 | 151.0° | 35.1° |
| N3 | C | C1 | H24 | 136.9° | 60.0° |
| N3 | C | C1 | H25 | 104.5° | 60.0° |
| N | C14 | C15 | C18 | 17.6° | 17.7° |
| N | C14 | C15 | H21 | 120.4° | 120.3° |
| N | C14 | C15 | H22 | 120.4° | 120.3° |
| N | C14 | C15 | C16 | 164.0° | 162.5° |
| C14 | N | C2 | H19 | 171.2° | 169.1° |
| C14 | N | C2 | H20 | 51.0° | 48.5° |
| N | C14 | H21 | H22 | 118.6° | 119.5° |
| C14 | N | C1 | H24 | 21.5° | 173.0° |
| C14 | N | C1 | H25 | 140.1° | 53.1° |
| N3 | C21 | C30 | C29 | 179.6° | 180.0° |
| N3 | C21 | C22 | H7 | 1.0° | 0.0° |
| N3 | C21 | C30 | H26 | 0.4° | 0.0° |
| C21 | C30 | C29 | C28 | 0.5° | 0.0° |
| C21 | C30 | C29 | H26 | 180.0° | 180.0° |
| C30 | C21 | N3 | H2 | 29.0° | 145.0° |
| C30 | C21 | C22 | H7 | 179.8° | 179.7° |
| C21 | C30 | C29 | H27 | 179.5° | 179.7° |
| C28 | C29 | C30 | H27 | 180.0° | 179.7° |
| C28 | C29 | C30 | H26 | 179.5° | 180.0° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C19 | C18 | C15 | C14 | 174.9° | 179.5° |
| C19 | C18 | C15 | C16 | 3.5° | 0.3° |
| C18 | C19 | C20 | CL | 179.4° | 180.0° |
| C18 | C19 | C20 | C17 | 0.0° | 0.1° |
| C19 | C18 | C3 | H15 | 36.6° | 43.0° |
| C15 | C18 | C19 | C20 | 2.9° | 0.2° |
| C18 | C15 | C14 | C16 | 178.4° | 179.8° |
| C18 | C15 | C16 | C17 | 1.3° | 0.2° |
| C18 | C15 | C16 | H13 | 178.7° | 179.7° |
| C15 | C18 | C19 | H14 | 177.1° | 179.8° |
| C15 | C18 | C3 | H15 | 145.5° | 137.1° |
| C18 | C15 | C14 | H21 | 138.0° | 102.6° |
| C18 | C15 | C14 | H22 | 102.8° | 138.0° |
| C19 | C20 | CL | C17 | 179.4° | 179.9° |
| C19 | C20 | C17 | C16 | 2.2° | 0.2° |
| C19 | C20 | C17 | H6 | 177.8° | 179.9° |
| C30 | C29 | C28 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 177.1° | 179.6° |
| C14 | C15 | C16 | H13 | 2.9° | 0.5° |
| C15 | C14 | H21 | H22 | 118.7° | 119.5° |
| C15 | C16 | C17 | C20 | 1.5° | 0.1° |
| C15 | C16 | C17 | H13 | 180.0° | 179.9° |
| C15 | C16 | C17 | H6 | 178.5° | 180.0° |
| C16 | C15 | C14 | H21 | 43.6° | 77.2° |
| C16 | C15 | C14 | H22 | 75.6° | 42.3° |
| CL | C20 | C17 | C16 | 177.2° | 179.9° |
| CL | C20 | C17 | H6 | 2.9° | 0.0° |
| CL | C20 | C19 | H14 | 0.6° | 0.1° |
| C20 | C17 | C16 | H6 | 180.0° | 179.9° |
| C20 | C17 | C16 | H13 | 178.4° | 180.0° |
| C17 | C20 | C19 | H14 | 180.0° | 180.0° |
| H5 | C10 | C11 | H17 | 1.0° | 0.0° |
| H5 | C10 | C9 | H18 | 0.4° | 0.3° |
| H6 | C17 | C16 | H13 | 1.6° | 0.1° |
| H8 | C24 | C25 | H30 | 67.5° | 56.8° |
| H8 | C24 | C25 | H31 | 51.9° | 177.0° |
| H9 | C24 | C25 | H30 | 52.5° | 63.2° |
| H9 | C24 | C25 | H31 | 171.9° | 57.0° |
| H10 | C26 | C27 | H28 | 67.3° | 177.0° |
| H10 | C26 | C27 | H29 | 52.5° | 56.9° |
| H11 | C26 | C27 | H28 | 52.1° | 56.9° |
| H11 | C26 | C27 | H29 | 171.9° | 63.2° |
| H12 | C28 | C29 | H27 | 0.1° | 0.3° |
| H15 | C3 | C2 | H19 | 64.9° | 69.7° |
| H15 | C3 | C2 | H20 | 55.3° | 50.8° |
| H16 | C12 | C11 | H17 | 1.4° | 0.0° |
| H26 | C30 | C29 | H27 | 0.5° | 0.3° |
