LI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12A | sing | 1.10Å | 1.10Å | |
| C2 | C30 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O5 | sing | 1.43Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31A | sing | 1.10Å | 1.10Å | |
| C3 | H32A | sing | 1.10Å | 1.10Å | |
| C4 | N1 | sing | 1.47Å | 1.42Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| N1 | C6 | sing | 1.40Å | 1.44Å | |
| N1 | C5 | sing | 1.47Å | 1.42Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| C10 | N2 | sing | 1.44Å | 1.35Å | |
| C10 | C28 | sing | 1.45Å | 1.47Å | |
| C10 | O1 | doub | 1.24Å | 1.22Å | |
| N2 | S14 | sing | 1.71Å | 1.62Å | |
| N2 | HN2 | sing | 1.03Å | 1.00Å | |
| S14 | C11 | sing | 1.77Å | 1.77Å | |
| S14 | O3 | doub | 1.45Å | 1.43Å | |
| S14 | O2 | doub | 1.45Å | 1.43Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | N3 | sing | 1.42Å | 1.48Å | |
| C13 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | N4 | sing | 1.41Å | 1.45Å | |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| N3 | O4 | sing | 1.25Å | 1.22Å | |
| N3 | O24 | doub | 1.25Å | 1.22Å | |
| N4 | C17 | sing | 1.43Å | 1.48Å | |
| N4 | HN4 | sing | 1.00Å | 1.00Å | |
| C17 | C26 | sing | 1.53Å | 1.54Å | |
| C17 | C25 | sing | 1.54Å | 1.55Å | |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C18 | S1 | sing | 1.82Å | 1.81Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| S1 | C20 | sing | 1.77Å | 1.77Å | |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C22 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C25 | H253 | sing | 1.10Å | 1.10Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C26 | H263 | sing | 1.10Å | 1.10Å | |
| C27 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| O5 | C29 | sing | 1.42Å | 1.43Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C30 | C34 | sing | 1.50Å | 1.54Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.08Å | |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.08Å | |
| C33 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C34 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.09Å | 1.08Å | |
| C36 | H36 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 110.1° | 112.2° |
| C2 | C1 | H11 | 109.3° | 110.1° |
| C2 | C1 | H12A | 109.1° | 109.6° |
| C1 | C2 | C30 | 110.5° | 110.7° |
| C1 | C2 | C3 | 106.6° | 109.5° |
| C1 | C2 | O5 | 110.0° | 108.4° |
| C5 | C1 | H11 | 109.3° | 108.4° |
| C5 | C1 | H12A | 109.1° | 109.1° |
| C1 | C5 | N1 | 111.4° | 110.6° |
| C1 | C5 | H51 | 108.8° | 108.4° |
| C1 | C5 | H52 | 108.4° | 110.6° |
| H11 | C1 | H12A | 109.9° | 107.4° |
| C30 | C2 | C3 | 110.4° | 110.9° |
| C30 | C2 | O5 | 109.2° | 107.9° |
| C2 | C30 | C34 | 109.8° | 111.6° |
| C2 | C30 | H301 | 109.3° | 109.4° |
| C2 | C30 | H302 | 109.2° | 109.4° |
| C3 | C2 | O5 | 110.1° | 109.3° |
| C2 | C3 | C4 | 110.4° | 112.2° |
| C2 | C3 | H31A | 109.2° | 109.6° |
| C2 | C3 | H32A | 109.0° | 110.1° |
| C2 | O5 | C29 | 109.4° | 111.3° |
| C4 | C3 | H31A | 109.2° | 109.0° |
| C4 | C3 | H32A | 109.0° | 108.3° |
| C3 | C4 | N1 | 111.8° | 110.6° |
| C3 | C4 | H41 | 108.7° | 110.6° |
| C3 | C4 | H42 | 108.2° | 108.6° |
| H31A | C3 | H32A | 110.2° | 107.4° |
| N1 | C4 | H41 | 108.7° | 109.6° |
| N1 | C4 | H42 | 108.2° | 110.2° |
| C4 | N1 | C6 | 126.3° | 119.5° |
| C4 | N1 | C5 | 107.2° | 116.4° |
| H41 | C4 | H42 | 111.3° | 107.2° |
| C6 | N1 | C5 | 126.5° | 117.4° |
| N1 | C6 | C7 | 119.5° | 120.9° |
| N1 | C6 | C9 | 119.2° | 121.0° |
| N1 | C5 | H51 | 108.8° | 110.3° |
| N1 | C5 | H52 | 108.4° | 109.6° |
| H51 | C5 | H52 | 111.0° | 107.3° |
| C7 | C6 | C9 | 121.3° | 118.1° |
| C6 | C7 | C27 | 119.4° | 120.9° |
| C6 | C7 | H7 | 120.3° | 119.7° |
| C6 | C9 | C8 | 119.2° | 120.9° |
| C6 | C9 | H9 | 120.4° | 119.6° |
| C27 | C7 | H7 | 120.3° | 119.4° |
| C7 | C27 | C28 | 119.4° | 120.0° |
| C7 | C27 | H27 | 120.3° | 119.4° |
| C28 | C8 | C9 | 119.6° | 120.0° |
| C28 | C8 | H8 | 120.2° | 120.6° |
| C8 | C28 | C10 | 117.6° | 120.0° |
| C8 | C28 | C27 | 121.1° | 120.0° |
| C9 | C8 | H8 | 120.2° | 119.4° |
| C8 | C9 | H9 | 120.4° | 119.5° |
| N2 | C10 | C28 | 116.1° | 116.8° |
| N2 | C10 | O1 | 121.9° | 121.3° |
| C10 | N2 | S14 | 119.4° | 125.6° |
| C10 | N2 | HN2 | 120.3° | 117.2° |
| C28 | C10 | O1 | 122.0° | 121.9° |
| C10 | C28 | C27 | 121.3° | 120.0° |
| S14 | N2 | HN2 | 120.3° | 117.2° |
| N2 | S14 | C11 | 107.7° | 101.1° |
| N2 | S14 | O3 | 105.1° | 109.2° |
| N2 | S14 | O2 | 107.6° | 109.2° |
| C11 | S14 | O3 | 108.5° | 108.2° |
| C11 | S14 | O2 | 108.8° | 106.8° |
| S14 | C11 | C12 | 120.2° | 119.3° |
| S14 | C11 | C16 | 119.0° | 119.2° |
| O3 | S14 | O2 | 118.6° | 120.5° |
| C12 | C11 | C16 | 120.8° | 121.5° |
| C11 | C12 | C13 | 119.2° | 119.3° |
| C11 | C12 | H12 | 120.4° | 120.5° |
| C11 | C16 | C15 | 120.4° | 119.2° |
| C11 | C16 | H16 | 119.8° | 121.4° |
| C13 | C12 | H12 | 120.4° | 120.2° |
| C12 | C13 | N3 | 118.0° | 118.9° |
| C12 | C13 | C14 | 121.0° | 120.0° |
| N3 | C13 | C14 | 121.0° | 121.1° |
| C13 | N3 | O4 | 119.5° | 118.8° |
| C13 | N3 | O24 | 115.1° | 118.8° |
| C13 | C14 | N4 | 120.5° | 121.1° |
| C13 | C14 | C15 | 118.4° | 120.0° |
| N4 | C14 | C15 | 121.1° | 118.9° |
| C14 | N4 | C17 | 129.3° | 122.8° |
| C14 | N4 | HN4 | 103.3° | 116.9° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.7° |
| C16 | C15 | H15 | 119.9° | 119.3° |
| C15 | C16 | H16 | 119.8° | 119.3° |
| O4 | N3 | O24 | 125.3° | 122.3° |
| C17 | N4 | HN4 | 103.3° | 120.4° |
| N4 | C17 | C26 | 106.6° | 108.9° |
| N4 | C17 | C25 | 110.0° | 107.8° |
| N4 | C17 | C18 | 112.9° | 109.5° |
| C26 | C17 | C25 | 107.6° | 108.9° |
| C26 | C17 | C18 | 108.6° | 112.7° |
| C17 | C26 | H261 | 109.5° | 112.2° |
| C17 | C26 | H262 | 109.4° | 111.1° |
| C17 | C26 | H263 | 109.4° | 111.0° |
| C25 | C17 | C18 | 111.0° | 108.9° |
| C17 | C25 | H251 | 109.5° | 111.2° |
| C17 | C25 | H252 | 109.5° | 111.2° |
| C17 | C25 | H253 | 109.5° | 111.3° |
| C17 | C18 | S1 | 116.2° | 115.2° |
| C17 | C18 | H181 | 107.3° | 110.0° |
| C17 | C18 | H182 | 105.8° | 110.2° |
| S1 | C18 | H181 | 107.3° | 107.1° |
| S1 | C18 | H182 | 105.7° | 106.8° |
| C18 | S1 | C20 | 100.8° | 99.6° |
| H181 | C18 | H182 | 114.9° | 107.2° |
| S1 | C20 | C19 | 119.1° | 120.6° |
| S1 | C20 | C21 | 119.6° | 120.6° |
| C20 | C19 | C24 | 119.4° | 120.7° |
| C20 | C19 | H19 | 120.3° | 120.4° |
| C19 | C20 | C21 | 121.2° | 118.8° |
| C24 | C19 | H19 | 120.3° | 118.9° |
| C19 | C24 | C23 | 119.2° | 120.0° |
| C19 | C24 | H24 | 120.4° | 120.1° |
| C20 | C21 | C22 | 119.3° | 120.6° |
| C20 | C21 | H21 | 120.4° | 120.4° |
| C22 | C21 | H21 | 120.3° | 119.0° |
| C21 | C22 | C23 | 119.2° | 120.1° |
| C21 | C22 | H22 | 120.4° | 120.0° |
| C23 | C22 | H22 | 120.4° | 120.0° |
| C22 | C23 | C24 | 121.7° | 120.0° |
| C22 | C23 | H23 | 119.2° | 120.0° |
| C24 | C23 | H23 | 119.2° | 120.0° |
| C23 | C24 | H24 | 120.4° | 119.9° |
| H251 | C25 | H252 | 109.5° | 107.9° |
| H251 | C25 | H253 | 109.4° | 107.9° |
| H252 | C25 | H253 | 109.5° | 107.1° |
| H261 | C26 | H262 | 109.5° | 108.0° |
| H261 | C26 | H263 | 109.5° | 106.5° |
| H262 | C26 | H263 | 109.5° | 107.7° |
| C28 | C27 | H27 | 120.3° | 120.6° |
| O5 | C29 | H291 | 109.5° | 109.5° |
| O5 | C29 | H292 | 109.5° | 109.5° |
| O5 | C29 | H293 | 109.5° | 108.9° |
| H291 | C29 | H292 | 109.5° | 110.1° |
| H291 | C29 | H293 | 109.5° | 109.4° |
| H292 | C29 | H293 | 109.5° | 109.3° |
| C34 | C30 | H301 | 109.4° | 110.0° |
| C34 | C30 | H302 | 109.3° | 110.0° |
| C30 | C34 | C33 | 120.0° | 119.6° |
| C30 | C34 | C35 | 120.0° | 119.6° |
| H301 | C30 | H302 | 109.8° | 106.4° |
| C32 | C31 | C36 | 120.0° | 120.0° |
| C32 | C31 | H31 | 120.0° | 120.0° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C31 | C32 | H32 | 119.9° | 120.0° |
| C36 | C31 | H31 | 120.0° | 119.9° |
| C31 | C36 | C35 | 120.0° | 120.0° |
| C31 | C36 | H36 | 120.0° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | C34 | 119.9° | 119.5° |
| C32 | C33 | H33 | 120.0° | 119.5° |
| C34 | C33 | H33 | 120.0° | 120.9° |
| C33 | C34 | C35 | 120.0° | 120.9° |
| C34 | C35 | C36 | 120.0° | 119.6° |
| C34 | C35 | H35 | 120.0° | 120.9° |
| C36 | C35 | H35 | 120.0° | 119.5° |
| C35 | C36 | H36 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H11 | 120.0° | 121.8° |
| C2 | C1 | C5 | H12A | 119.7° | 121.6° |
| C2 | C1 | H11 | H12A | 119.7° | 119.3° |
| C1 | C2 | C30 | C3 | 117.7° | 121.8° |
| C1 | C2 | C30 | O5 | 121.1° | 118.4° |
| C1 | C2 | C3 | O5 | 119.3° | 118.6° |
| C1 | C2 | C3 | C4 | 53.4° | 54.2° |
| C1 | C2 | C3 | H31A | 66.6° | 67.1° |
| C1 | C2 | C3 | H32A | 173.0° | 175.0° |
| C2 | C1 | C5 | N1 | 61.8° | 53.0° |
| C2 | C1 | C5 | H51 | 58.2° | 174.0° |
| C2 | C1 | C5 | H52 | 179.1° | 68.6° |
| C1 | C2 | O5 | C29 | 71.0° | 180.0° |
| C1 | C2 | C30 | C34 | 166.0° | 60.0° |
| C1 | C2 | C30 | H301 | 74.0° | 178.1° |
| C1 | C2 | C30 | H302 | 46.1° | 61.9° |
| C5 | C1 | H11 | H12A | 119.7° | 117.7° |
| C5 | C1 | C2 | C30 | 174.0° | 176.9° |
| C5 | C1 | C2 | C3 | 54.0° | 54.2° |
| C5 | C1 | C2 | O5 | 65.3° | 65.0° |
| C1 | C5 | N1 | C4 | 64.3° | 53.4° |
| C1 | C5 | N1 | C6 | 115.7° | 155.6° |
| C1 | C5 | N1 | H51 | 120.0° | 119.9° |
| C1 | C5 | N1 | H52 | 119.2° | 122.2° |
| C1 | C5 | H51 | H52 | 119.2° | 119.5° |
| H11 | C1 | C2 | C30 | 66.0° | 62.4° |
| H11 | C1 | C2 | C3 | 174.0° | 175.0° |
| H11 | C1 | C2 | O5 | 54.7° | 55.8° |
| H11 | C1 | C5 | N1 | 178.2° | 174.8° |
| H11 | C1 | C5 | H51 | 61.8° | 64.2° |
| H11 | C1 | C5 | H52 | 59.0° | 53.2° |
| H12A | C1 | C2 | C30 | 54.3° | 55.6° |
| H12A | C1 | C2 | C3 | 65.7° | 67.1° |
| H12A | C1 | C2 | O5 | 174.9° | 173.7° |
| H12A | C1 | C5 | N1 | 58.0° | 68.6° |
| H12A | C1 | C5 | H51 | 178.0° | 52.4° |
| H12A | C1 | C5 | H52 | 61.2° | 169.8° |
| C30 | C2 | C3 | O5 | 120.6° | 118.9° |
| C30 | C2 | C3 | C4 | 173.5° | 176.7° |
| C30 | C2 | C3 | H31A | 53.5° | 55.4° |
| C30 | C2 | C3 | H32A | 66.9° | 62.6° |
| C30 | C2 | O5 | C29 | 50.4° | 60.1° |
| C2 | C30 | C34 | H301 | 120.0° | 121.5° |
| C2 | C30 | C34 | H302 | 119.8° | 121.6° |
| C2 | C30 | H301 | H302 | 119.8° | 118.0° |
| C2 | C30 | C34 | C33 | 116.3° | 90.0° |
| C2 | C30 | C34 | C35 | 63.8° | 90.0° |
| C2 | C3 | C4 | H31A | 120.0° | 121.6° |
| C2 | C3 | C4 | H32A | 119.6° | 121.8° |
| C2 | C3 | H31A | H32A | 119.6° | 119.6° |
| C2 | C3 | C4 | N1 | 60.5° | 52.9° |
| C2 | C3 | C4 | H41 | 179.5° | 68.7° |
| C2 | C3 | C4 | H42 | 58.5° | 173.9° |
| C3 | C2 | O5 | C29 | 171.8° | 60.7° |
| C3 | C2 | C30 | C34 | 48.3° | 178.2° |
| C3 | C2 | C30 | H301 | 168.3° | 56.3° |
| C3 | C2 | C30 | H302 | 71.6° | 59.9° |
| O5 | C2 | C3 | C4 | 65.9° | 64.4° |
| O5 | C2 | C3 | H31A | 174.1° | 174.3° |
| O5 | C2 | C3 | H32A | 53.8° | 56.4° |
| C2 | O5 | C29 | H291 | 48.8° | 17.3° |
| C2 | O5 | C29 | H292 | 71.2° | 138.2° |
| C2 | O5 | C29 | H293 | 168.8° | 102.3° |
| O5 | C2 | C30 | C34 | 72.9° | 58.4° |
| O5 | C2 | C30 | H301 | 47.1° | 63.5° |
| O5 | C2 | C30 | H302 | 167.2° | 179.6° |
| C4 | C3 | H31A | H32A | 119.7° | 117.2° |
| C3 | C4 | N1 | H41 | 120.0° | 122.2° |
| C3 | C4 | N1 | H42 | 119.0° | 120.1° |
| C3 | C4 | H41 | H42 | 119.0° | 118.2° |
| C3 | C4 | N1 | C6 | 116.3° | 156.3° |
| C3 | C4 | N1 | C5 | 63.8° | 53.3° |
| H31A | C3 | C4 | N1 | 59.5° | 68.7° |
| H31A | C3 | C4 | H41 | 60.5° | 169.7° |
| H31A | C3 | C4 | H42 | 178.5° | 52.3° |
| H32A | C3 | C4 | N1 | 179.9° | 174.7° |
| H32A | C3 | C4 | H41 | 59.9° | 53.1° |
| H32A | C3 | C4 | H42 | 61.1° | 64.3° |
| N1 | C4 | H41 | H42 | 119.1° | 119.6° |
| C4 | N1 | C6 | C5 | 179.9° | 150.1° |
| C4 | N1 | C5 | H51 | 55.6° | 173.2° |
| C4 | N1 | C5 | H52 | 176.5° | 68.8° |
| C4 | N1 | C6 | C7 | 0.1° | 30.0° |
| C4 | N1 | C6 | C9 | 179.9° | 149.8° |
| H41 | C4 | N1 | C6 | 3.7° | 81.5° |
| H41 | C4 | N1 | C5 | 176.2° | 68.9° |
| H42 | C4 | N1 | C6 | 124.7° | 36.3° |
| H42 | C4 | N1 | C5 | 55.3° | 173.4° |
| C6 | N1 | C5 | H51 | 124.3° | 35.7° |
| C6 | N1 | C5 | H52 | 3.4° | 82.2° |
| N1 | C6 | C7 | C9 | 179.9° | 179.9° |
| N1 | C6 | C7 | C27 | 180.0° | 180.0° |
| N1 | C6 | C7 | H7 | 0.0° | 0.2° |
| N1 | C6 | C9 | C8 | 180.0° | 180.0° |
| N1 | C6 | C9 | H9 | 0.1° | 0.2° |
| N1 | C5 | H51 | H52 | 119.2° | 119.3° |
| C5 | N1 | C6 | C7 | 180.0° | 120.1° |
| C5 | N1 | C6 | C9 | 0.0° | 60.1° |
| C6 | C7 | C27 | H7 | 180.0° | 179.9° |
| C7 | C6 | C9 | C8 | 0.0° | 0.1° |
| C7 | C6 | C9 | H9 | 180.0° | 180.0° |
| C6 | C7 | C27 | C28 | 0.0° | 0.0° |
| C6 | C7 | C27 | H27 | 180.0° | 180.0° |
| C9 | C6 | C7 | C27 | 0.1° | 0.1° |
| C9 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C9 | C8 | C28 | 0.1° | 0.0° |
| C6 | C9 | C8 | H9 | 180.0° | 179.9° |
| C6 | C9 | C8 | H8 | 179.9° | 179.9° |
| C7 | C27 | C28 | C8 | 0.1° | 0.0° |
| C7 | C27 | C28 | C10 | 180.0° | 180.0° |
| C7 | C27 | C28 | H27 | 180.0° | 180.0° |
| H7 | C7 | C27 | C28 | 180.0° | 179.9° |
| H7 | C7 | C27 | H27 | 0.0° | 0.1° |
| C28 | C8 | C9 | H8 | 180.0° | 179.9° |
| C28 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C28 | C10 | N2 | 180.0° | 153.0° |
| C8 | C28 | C10 | C27 | 179.9° | 180.0° |
| C8 | C28 | C10 | O1 | 0.1° | 27.3° |
| C8 | C28 | C27 | H27 | 179.9° | 179.9° |
| C9 | C8 | C28 | C10 | 180.0° | 180.0° |
| C9 | C8 | C28 | C27 | 0.1° | 0.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.1° |
| H8 | C8 | C28 | C10 | 0.0° | 0.1° |
| H8 | C8 | C28 | C27 | 179.9° | 180.0° |
| N2 | C10 | C28 | O1 | 179.9° | 179.7° |
| C10 | N2 | S14 | HN2 | 180.0° | 180.0° |
| C10 | N2 | S14 | C11 | 74.8° | 83.0° |
| C10 | N2 | S14 | O3 | 169.7° | 30.9° |
| C10 | N2 | S14 | O2 | 42.4° | 164.6° |
| N2 | C10 | C28 | C27 | 0.1° | 26.9° |
| C28 | C10 | N2 | S14 | 179.9° | 180.0° |
| C28 | C10 | N2 | HN2 | 0.1° | 0.0° |
| C10 | C28 | C27 | H27 | 0.0° | 0.0° |
| O1 | C10 | N2 | S14 | 0.2° | 0.3° |
| O1 | C10 | N2 | HN2 | 179.8° | 179.7° |
| O1 | C10 | C28 | C27 | 180.0° | 152.7° |
| N2 | S14 | C11 | O3 | 113.3° | 114.7° |
| N2 | S14 | C11 | O2 | 116.4° | 114.2° |
| N2 | S14 | O3 | O2 | 120.3° | 127.6° |
| N2 | S14 | C11 | C12 | 71.0° | 90.0° |
| N2 | S14 | C11 | C16 | 109.1° | 90.0° |
| HN2 | N2 | S14 | C11 | 105.2° | 97.0° |
| HN2 | N2 | S14 | O3 | 10.3° | 149.1° |
| HN2 | N2 | S14 | O2 | 137.6° | 15.4° |
| C11 | S14 | O3 | O2 | 124.7° | 123.1° |
| S14 | C11 | C12 | C16 | 179.9° | 180.0° |
| S14 | C11 | C12 | C13 | 179.9° | 180.0° |
| S14 | C11 | C12 | H12 | 0.2° | 0.1° |
| S14 | C11 | C16 | C15 | 179.9° | 180.0° |
| S14 | C11 | C16 | H16 | 0.1° | 0.0° |
| O3 | S14 | C11 | C12 | 42.3° | 24.7° |
| O3 | S14 | C11 | C16 | 137.6° | 155.3° |
| O2 | S14 | C11 | C12 | 172.6° | 155.8° |
| O2 | S14 | C11 | C16 | 7.3° | 24.2° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | N3 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.1° |
| C12 | C11 | C16 | H16 | 180.0° | 180.0° |
| C16 | C11 | C12 | C13 | 0.1° | 0.0° |
| C16 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C16 | C15 | C14 | 0.1° | 0.1° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | H15 | 179.9° | 180.0° |
| C12 | C13 | N3 | C14 | 180.0° | 180.0° |
| C12 | C13 | C14 | N4 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | N3 | O4 | 179.9° | 0.0° |
| C12 | C13 | N3 | O24 | 0.2° | 180.0° |
| H12 | C12 | C13 | N3 | 0.0° | 0.0° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| N3 | C13 | C14 | N4 | 0.4° | 0.0° |
| N3 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | N3 | O4 | O24 | 179.9° | 180.0° |
| C13 | C14 | N4 | C15 | 179.5° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | N3 | O4 | 0.0° | 180.0° |
| C14 | C13 | N3 | O24 | 179.9° | 0.0° |
| C13 | C14 | N4 | C17 | 178.3° | 120.0° |
| C13 | C14 | N4 | HN4 | 61.7° | 60.0° |
| N4 | C14 | C15 | C16 | 179.6° | 180.0° |
| N4 | C14 | C15 | H15 | 0.4° | 0.1° |
| C14 | N4 | C17 | HN4 | 120.0° | 180.0° |
| C14 | N4 | C17 | C26 | 179.8° | 92.0° |
| C14 | N4 | C17 | C25 | 63.9° | 150.0° |
| C14 | N4 | C17 | C18 | 60.6° | 31.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | N4 | C17 | 1.2° | 60.1° |
| C15 | C14 | N4 | HN4 | 118.8° | 119.9° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| N4 | C17 | C26 | C25 | 117.9° | 117.3° |
| N4 | C17 | C26 | C18 | 121.9° | 121.7° |
| N4 | C17 | C25 | C18 | 125.6° | 118.7° |
| N4 | C17 | C18 | S1 | 57.5° | 178.8° |
| N4 | C17 | C18 | H181 | 177.5° | 57.7° |
| N4 | C17 | C18 | H182 | 59.4° | 60.3° |
| N4 | C17 | C25 | H251 | 84.0° | 178.9° |
| N4 | C17 | C25 | H252 | 155.9° | 58.6° |
| N4 | C17 | C25 | H253 | 35.9° | 60.8° |
| N4 | C17 | C26 | H261 | 14.2° | 56.6° |
| N4 | C17 | C26 | H262 | 134.2° | 177.7° |
| N4 | C17 | C26 | H263 | 105.9° | 62.4° |
| HN4 | N4 | C17 | C26 | 60.2° | 88.0° |
| HN4 | N4 | C17 | C25 | 56.1° | 30.0° |
| HN4 | N4 | C17 | C18 | 179.4° | 148.3° |
| C26 | C17 | C25 | C18 | 118.7° | 123.3° |
| C26 | C17 | C18 | S1 | 60.5° | 59.8° |
| C26 | C17 | C18 | H181 | 59.5° | 179.1° |
| C26 | C17 | C18 | H182 | 177.4° | 61.1° |
| C26 | C17 | C25 | H251 | 160.2° | 60.9° |
| C26 | C17 | C25 | H252 | 40.2° | 59.4° |
| C26 | C17 | C25 | H253 | 79.8° | 178.8° |
| C17 | C26 | H261 | H262 | 120.0° | 122.9° |
| C17 | C26 | H261 | H263 | 120.0° | 121.6° |
| C17 | C26 | H262 | H263 | 120.0° | 121.8° |
| C25 | C17 | C18 | S1 | 178.5° | 61.1° |
| C25 | C17 | C18 | H181 | 58.6° | 60.0° |
| C25 | C17 | C18 | H182 | 64.5° | 178.0° |
| C17 | C25 | H251 | H252 | 120.0° | 122.2° |
| C17 | C25 | H251 | H253 | 120.0° | 122.3° |
| C17 | C25 | H252 | H253 | 120.0° | 121.8° |
| C25 | C17 | C26 | H261 | 103.7° | 174.0° |
| C25 | C17 | C26 | H262 | 16.3° | 64.9° |
| C25 | C17 | C26 | H263 | 136.2° | 54.9° |
| C17 | C18 | S1 | H181 | 120.0° | 122.7° |
| C17 | C18 | S1 | H182 | 116.9° | 122.8° |
| C17 | C18 | H181 | H182 | 117.3° | 119.9° |
| C17 | C18 | S1 | C20 | 92.9° | 180.0° |
| C18 | C17 | C25 | H251 | 41.6° | 62.3° |
| C18 | C17 | C25 | H252 | 78.4° | 177.3° |
| C18 | C17 | C25 | H253 | 161.6° | 58.0° |
| C18 | C17 | C26 | H261 | 136.1° | 65.1° |
| C18 | C17 | C26 | H262 | 103.9° | 56.0° |
| C18 | C17 | C26 | H263 | 16.1° | 175.9° |
| S1 | C18 | H181 | H182 | 117.2° | 114.3° |
| C18 | S1 | C20 | C19 | 113.9° | 180.0° |
| C18 | S1 | C20 | C21 | 66.0° | 0.0° |
| H181 | C18 | S1 | C20 | 147.1° | 57.3° |
| H182 | C18 | S1 | C20 | 24.0° | 57.3° |
| S1 | C20 | C19 | C21 | 179.9° | 180.0° |
| S1 | C20 | C19 | C24 | 179.9° | 179.9° |
| S1 | C20 | C19 | H19 | 0.1° | 0.0° |
| S1 | C20 | C21 | C22 | 179.9° | 180.0° |
| S1 | C20 | C21 | H21 | 0.1° | 0.0° |
| C20 | C19 | C24 | H19 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.1° |
| C20 | C19 | C24 | H24 | 179.9° | 180.0° |
| C24 | C19 | C20 | C21 | 0.0° | 0.1° |
| C19 | C24 | C23 | C22 | 0.1° | 0.0° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| C19 | C24 | C23 | H23 | 179.8° | 180.0° |
| H19 | C19 | C20 | C21 | 180.0° | 180.0° |
| H19 | C19 | C24 | C23 | 179.9° | 180.0° |
| H19 | C19 | C24 | H24 | 0.1° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| H21 | C21 | C22 | C23 | 179.9° | 180.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| H22 | C22 | C23 | C24 | 179.8° | 180.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
| H23 | C23 | C24 | H24 | 0.2° | 0.0° |
| H251 | C25 | H252 | H253 | 120.0° | 116.0° |
| H261 | C26 | H262 | H263 | 120.0° | 114.7° |
| O5 | C29 | H291 | H292 | 120.0° | 120.5° |
| O5 | C29 | H291 | H293 | 120.0° | 119.3° |
| O5 | C29 | H292 | H293 | 120.0° | 119.3° |
| H291 | C29 | H292 | H293 | 120.0° | 120.2° |
| C34 | C30 | H301 | H302 | 119.9° | 119.1° |
| C30 | C34 | C33 | C32 | 179.9° | 180.0° |
| C30 | C34 | C33 | C35 | 179.9° | 179.9° |
| C30 | C34 | C33 | H33 | 0.1° | 0.0° |
| C30 | C34 | C35 | C36 | 179.9° | 180.0° |
| C30 | C34 | C35 | H35 | 0.1° | 0.1° |
| H301 | C30 | C34 | C33 | 123.7° | 31.6° |
| H301 | C30 | C34 | C35 | 56.2° | 148.5° |
| H302 | C30 | C34 | C33 | 3.5° | 148.5° |
| H302 | C30 | C34 | C35 | 176.4° | 31.6° |
| C32 | C31 | C36 | H31 | 180.0° | 179.9° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.0° | 0.1° |
| C31 | C32 | C33 | H33 | 179.9° | 179.9° |
| C32 | C31 | C36 | C35 | 0.1° | 0.1° |
| C32 | C31 | C36 | H36 | 179.9° | 180.0° |
| C36 | C31 | C32 | C33 | 0.1° | 0.1° |
| C36 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C36 | C35 | C34 | 0.1° | 0.0° |
| C31 | C36 | C35 | H36 | 180.0° | 179.9° |
| C31 | C36 | C35 | H35 | 179.9° | 180.0° |
| H31 | C31 | C32 | C33 | 179.9° | 180.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.1° |
| H31 | C31 | C36 | C35 | 179.9° | 180.0° |
| H31 | C31 | C36 | H36 | 0.1° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.0° | 0.1° |
| H32 | C32 | C33 | C34 | 180.0° | 180.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 179.9° | 180.0° |
| H33 | C33 | C34 | C35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.1° |
