LH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C35 | doub | 1.22Å | 1.23Å | |
| C35 | N5 | sing | 1.34Å | 1.35Å | |
| C35 | N4 | sing | 1.34Å | 1.35Å | |
| N5 | C | sing | 1.47Å | 1.45Å | |
| C | C34 | sing | 1.53Å | 1.56Å | |
| C | C1 | sing | 1.54Å | 1.52Å | |
| N4 | C34 | sing | 1.47Å | 1.45Å | |
| C34 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | S | sing | 1.84Å | 1.81Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| S | C1 | sing | 1.84Å | 1.81Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O | doub | 1.21Å | 1.23Å | |
| C7 | N | sing | 1.35Å | 1.34Å | |
| N | N1 | sing | 1.40Å | 1.40Å | |
| N1 | C8 | sing | 1.39Å | 1.44Å | |
| C8 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | S1 | sing | 1.76Å | 1.76Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | N2 | sing | 1.66Å | 1.63Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| N2 | C23 | sing | 1.47Å | 1.48Å | |
| N2 | C20 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C21 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C24 | sing | 1.48Å | 1.49Å | |
| C24 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | S2 | sing | 1.76Å | 1.76Å | |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| S2 | O4 | doub | 1.42Å | 1.43Å | |
| S2 | O5 | doub | 1.42Å | 1.43Å | |
| S2 | N3 | sing | 1.66Å | 1.63Å | |
| N3 | C33 | sing | 1.47Å | 1.47Å | |
| N3 | C30 | sing | 1.47Å | 1.47Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C32 | O6 | sing | 1.43Å | 1.42Å | |
| O6 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | C30 | sing | 1.53Å | 1.50Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| N | HA | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C35 | N5 | 125.7° | 123.1° |
| O7 | C35 | N4 | 125.4° | 123.0° |
| N5 | C35 | N4 | 108.8° | 113.9° |
| C35 | N5 | C | 112.8° | 109.0° |
| C35 | N5 | H5 | 123.6° | 125.5° |
| C35 | N4 | C34 | 113.2° | 109.0° |
| C35 | N4 | H4 | 123.4° | 125.6° |
| N5 | C | C34 | 102.7° | 104.0° |
| N5 | C | C1 | 110.3° | 109.3° |
| C | N5 | H5 | 123.6° | 125.4° |
| N5 | C | H | 112.3° | 110.3° |
| C34 | C | C1 | 109.3° | 112.4° |
| C | C34 | N4 | 102.4° | 104.0° |
| C | C34 | C2 | 109.3° | 112.4° |
| C34 | C | H | 110.7° | 110.2° |
| C | C34 | H34 | 109.7° | 110.3° |
| C | C1 | S | 106.9° | 102.7° |
| C1 | C | H | 111.2° | 110.5° |
| C | C1 | H11C | 110.1° | 110.8° |
| C | C1 | H12C | 110.1° | 110.7° |
| N4 | C34 | C2 | 113.7° | 109.0° |
| C34 | N4 | H4 | 123.4° | 125.4° |
| N4 | C34 | H34 | 111.4° | 110.5° |
| C34 | C2 | S | 104.7° | 102.8° |
| C34 | C2 | C3 | 117.3° | 110.7° |
| C2 | C34 | H34 | 110.1° | 110.5° |
| C34 | C2 | H2 | 109.0° | 110.8° |
| S | C2 | C3 | 110.2° | 110.7° |
| C2 | S | C1 | 90.6° | 94.8° |
| S | C2 | H2 | 106.0° | 110.8° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C3 | C2 | H2 | 109.1° | 110.8° |
| C2 | C3 | H31C | 108.9° | 109.5° |
| C2 | C3 | H32C | 108.8° | 109.5° |
| S | C1 | H11C | 110.1° | 110.8° |
| S | C1 | H12C | 110.1° | 110.8° |
| C3 | C4 | C5 | 114.9° | 109.5° |
| C4 | C3 | H31C | 108.9° | 109.5° |
| C4 | C3 | H32C | 108.9° | 109.5° |
| C3 | C4 | H41C | 108.1° | 109.5° |
| C3 | C4 | H42C | 108.1° | 109.5° |
| C4 | C5 | C6 | 114.2° | 109.4° |
| C5 | C4 | H41C | 108.1° | 109.5° |
| C5 | C4 | H42C | 108.1° | 109.5° |
| C4 | C5 | H51C | 108.3° | 109.5° |
| C4 | C5 | H52C | 108.3° | 109.5° |
| C5 | C6 | C7 | 113.2° | 109.5° |
| C6 | C5 | H51C | 108.3° | 109.5° |
| C6 | C5 | H52C | 108.3° | 109.4° |
| C5 | C6 | H61C | 108.5° | 109.5° |
| C5 | C6 | H62C | 108.6° | 109.5° |
| C6 | C7 | O | 121.8° | 119.9° |
| C6 | C7 | N | 116.2° | 120.0° |
| C7 | C6 | H61C | 108.5° | 109.5° |
| C7 | C6 | H62C | 108.5° | 109.4° |
| O | C7 | N | 122.0° | 120.0° |
| C7 | N | N1 | 128.6° | 120.0° |
| C7 | N | HA | 115.7° | 120.0° |
| N | N1 | C8 | 121.4° | 120.0° |
| N1 | N | HA | 115.7° | 120.0° |
| N | N1 | H1 | 106.4° | 120.1° |
| N1 | C8 | C13 | 116.6° | 120.2° |
| N1 | C8 | C9 | 122.3° | 120.2° |
| C8 | N1 | H1 | 106.4° | 120.0° |
| C13 | C8 | C9 | 121.1° | 119.6° |
| C8 | C13 | C14 | 122.6° | 120.1° |
| C8 | C13 | C12 | 118.4° | 119.8° |
| C8 | C9 | C10 | 118.5° | 119.8° |
| C8 | C9 | C24 | 122.4° | 120.1° |
| C14 | C13 | C12 | 118.7° | 120.1° |
| C13 | C14 | C19 | 121.2° | 120.1° |
| C13 | C14 | C15 | 120.7° | 120.1° |
| C13 | C12 | C11 | 120.6° | 120.2° |
| C13 | C12 | H12 | 119.7° | 119.9° |
| C19 | C14 | C15 | 118.0° | 119.7° |
| C14 | C19 | C18 | 121.3° | 119.9° |
| C14 | C19 | H19 | 119.4° | 120.1° |
| C14 | C15 | C16 | 121.4° | 119.9° |
| C14 | C15 | H15 | 119.3° | 120.0° |
| C19 | C18 | C17 | 119.3° | 120.1° |
| C18 | C19 | H19 | 119.3° | 120.1° |
| C19 | C18 | H18 | 120.4° | 119.9° |
| C18 | C17 | S1 | 119.6° | 119.8° |
| C18 | C17 | C16 | 120.6° | 120.3° |
| C17 | C18 | H18 | 120.3° | 120.0° |
| S1 | C17 | C16 | 119.6° | 119.9° |
| C17 | S1 | O2 | 108.0° | 106.4° |
| C17 | S1 | N2 | 107.4° | 107.2° |
| C17 | S1 | O1 | 107.8° | 106.4° |
| C17 | C16 | C15 | 119.3° | 120.1° |
| C17 | C16 | H16 | 120.4° | 120.0° |
| O2 | S1 | N2 | 106.7° | 106.4° |
| O2 | S1 | O1 | 119.7° | 123.2° |
| N2 | S1 | O1 | 106.6° | 106.4° |
| S1 | N2 | C23 | 118.2° | 121.0° |
| S1 | N2 | C20 | 118.2° | 121.0° |
| C23 | N2 | C20 | 112.5° | 118.0° |
| N2 | C23 | C22 | 108.4° | 108.4° |
| N2 | C23 | H231 | 109.7° | 109.7° |
| N2 | C23 | H232 | 109.8° | 109.7° |
| N2 | C20 | C21 | 108.3° | 108.6° |
| N2 | C20 | H201 | 109.7° | 109.7° |
| N2 | C20 | H202 | 109.7° | 109.6° |
| C23 | C22 | O3 | 111.9° | 109.2° |
| C22 | C23 | H231 | 109.7° | 109.7° |
| C22 | C23 | H232 | 109.7° | 109.7° |
| C23 | C22 | H221 | 108.9° | 109.5° |
| C23 | C22 | H222 | 108.9° | 109.5° |
| C22 | O3 | C21 | 109.9° | 114.2° |
| O3 | C22 | H221 | 108.8° | 109.5° |
| O3 | C22 | H222 | 108.9° | 109.5° |
| O3 | C21 | C20 | 111.5° | 109.3° |
| O3 | C21 | H211 | 109.0° | 109.5° |
| O3 | C21 | H212 | 109.0° | 109.5° |
| C21 | C20 | H201 | 109.8° | 109.6° |
| C21 | C20 | H202 | 109.7° | 109.5° |
| C20 | C21 | H211 | 109.0° | 109.6° |
| C20 | C21 | H212 | 109.0° | 109.3° |
| C16 | C15 | H15 | 119.3° | 120.1° |
| C15 | C16 | H16 | 120.4° | 119.9° |
| C12 | C11 | C10 | 120.7° | 120.4° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C12 | C11 | H11 | 119.7° | 119.8° |
| C11 | C10 | C9 | 120.7° | 120.2° |
| C10 | C11 | H11 | 119.6° | 119.8° |
| C11 | C10 | H10 | 119.7° | 119.9° |
| C10 | C9 | C24 | 118.8° | 120.1° |
| C9 | C10 | H10 | 119.7° | 119.9° |
| C9 | C24 | C29 | 121.4° | 120.2° |
| C9 | C24 | C25 | 120.3° | 120.1° |
| C29 | C24 | C25 | 118.2° | 119.7° |
| C24 | C29 | C28 | 121.2° | 119.9° |
| C24 | C29 | H29 | 119.4° | 120.0° |
| C24 | C25 | C26 | 121.3° | 119.9° |
| C24 | C25 | H25 | 119.3° | 120.1° |
| C29 | C28 | C27 | 119.3° | 120.1° |
| C28 | C29 | H29 | 119.4° | 120.1° |
| C29 | C28 | H28 | 120.3° | 120.0° |
| C28 | C27 | C26 | 120.6° | 120.2° |
| C28 | C27 | S2 | 120.0° | 119.9° |
| C27 | C28 | H28 | 120.3° | 119.9° |
| C26 | C27 | S2 | 119.4° | 119.9° |
| C27 | C26 | C25 | 119.4° | 120.2° |
| C27 | C26 | H26 | 120.3° | 119.9° |
| C27 | S2 | O4 | 107.6° | 106.5° |
| C27 | S2 | O5 | 108.3° | 106.4° |
| C27 | S2 | N3 | 106.9° | 107.2° |
| C26 | C25 | H25 | 119.3° | 120.1° |
| C25 | C26 | H26 | 120.3° | 119.9° |
| O4 | S2 | O5 | 119.9° | 123.1° |
| O4 | S2 | N3 | 106.8° | 106.4° |
| O5 | S2 | N3 | 106.7° | 106.4° |
| S2 | N3 | C33 | 116.8° | 121.0° |
| S2 | N3 | C30 | 116.3° | 121.0° |
| C33 | N3 | C30 | 111.9° | 118.0° |
| N3 | C33 | C32 | 108.2° | 108.4° |
| N3 | C33 | H331 | 109.8° | 109.7° |
| N3 | C33 | H332 | 109.8° | 109.7° |
| N3 | C30 | C31 | 108.1° | 108.6° |
| N3 | C30 | H301 | 109.8° | 109.7° |
| N3 | C30 | H302 | 109.8° | 109.7° |
| C33 | C32 | O6 | 111.8° | 109.2° |
| C32 | C33 | H331 | 109.8° | 109.7° |
| C32 | C33 | H332 | 109.8° | 109.7° |
| C33 | C32 | H321 | 108.9° | 109.5° |
| C33 | C32 | H322 | 108.9° | 109.5° |
| C32 | O6 | C31 | 110.1° | 114.2° |
| O6 | C32 | H321 | 108.9° | 109.5° |
| O6 | C32 | H322 | 108.9° | 109.6° |
| O6 | C31 | C30 | 111.6° | 109.3° |
| O6 | C31 | H311 | 108.9° | 109.5° |
| O6 | C31 | H312 | 108.9° | 109.5° |
| C31 | C30 | H301 | 109.8° | 109.6° |
| C31 | C30 | H302 | 109.8° | 109.5° |
| C30 | C31 | H311 | 108.9° | 109.6° |
| C30 | C31 | H312 | 109.0° | 109.4° |
| H11C | C1 | H12C | 109.5° | 110.9° |
| H31C | C3 | H32C | 109.5° | 109.4° |
| H41C | C4 | H42C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.6° |
| H201 | C20 | H202 | 109.5° | 109.7° |
| H221 | C22 | H222 | 109.5° | 109.6° |
| H211 | C21 | H212 | 109.5° | 109.6° |
| H331 | C33 | H332 | 109.5° | 109.7° |
| H301 | C30 | H302 | 109.5° | 109.7° |
| H321 | C32 | H322 | 109.5° | 109.6° |
| H311 | C31 | H312 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C35 | N5 | N4 | 177.1° | 179.8° |
| O7 | C35 | N5 | C | 174.4° | 180.0° |
| O7 | C35 | N4 | C34 | 175.9° | 179.8° |
| O7 | C35 | N5 | H5 | 5.6° | 0.0° |
| O7 | C35 | N4 | H4 | 4.1° | 0.0° |
| C35 | N5 | C | H5 | 180.0° | 180.0° |
| C35 | N5 | C | C34 | 2.9° | 0.0° |
| C35 | N5 | C | C1 | 113.4° | 120.2° |
| N5 | C35 | N4 | C34 | 1.2° | 0.4° |
| N5 | C35 | N4 | H4 | 178.8° | 179.7° |
| C35 | N5 | C | H | 121.8° | 118.2° |
| N4 | C35 | N5 | C | 2.7° | 0.3° |
| C35 | N4 | C34 | C | 0.6° | 0.4° |
| C35 | N4 | C34 | H4 | 180.0° | 179.9° |
| C35 | N4 | C34 | C2 | 118.4° | 120.4° |
| N4 | C35 | N5 | H5 | 177.3° | 179.8° |
| C35 | N4 | C34 | H34 | 116.6° | 117.9° |
| N5 | C | C34 | C1 | 117.1° | 118.1° |
| N5 | C | C34 | H | 120.1° | 118.2° |
| N5 | C | C1 | H | 125.4° | 121.5° |
| N5 | C | C34 | N4 | 2.0° | 0.2° |
| N5 | C | C34 | C2 | 122.8° | 118.0° |
| N5 | C | C1 | S | 88.5° | 90.2° |
| N5 | C | C34 | H34 | 116.3° | 118.2° |
| N5 | C | C1 | H11C | 151.9° | 151.4° |
| N5 | C | C1 | H12C | 31.1° | 28.0° |
| C34 | C | C1 | H | 122.5° | 123.6° |
| C | C34 | N4 | C2 | 117.8° | 120.0° |
| C | C34 | N4 | H34 | 117.2° | 118.3° |
| C | C34 | C2 | H34 | 120.6° | 123.7° |
| C | C34 | C2 | S | 32.3° | 24.6° |
| C | C34 | C2 | C3 | 154.7° | 142.9° |
| C34 | C | C1 | S | 23.6° | 24.7° |
| C34 | C | N5 | H5 | 177.1° | 180.0° |
| C | C34 | N4 | H4 | 179.4° | 179.7° |
| C34 | C | C1 | H11C | 96.0° | 93.7° |
| C34 | C | C1 | H12C | 143.3° | 143.0° |
| C | C34 | C2 | H2 | 80.8° | 93.7° |
| C1 | C | C34 | N4 | 115.1° | 117.8° |
| C1 | C | C34 | C2 | 5.8° | 0.1° |
| C | C1 | S | C2 | 37.7° | 34.7° |
| C | C1 | S | H11C | 119.6° | 118.3° |
| C | C1 | S | H12C | 119.6° | 118.2° |
| C1 | C | N5 | H5 | 66.6° | 59.8° |
| C1 | C | C34 | H34 | 126.6° | 123.7° |
| C | C1 | H11C | H12C | 121.1° | 123.3° |
| N4 | C34 | C2 | H34 | 125.7° | 121.6° |
| N4 | C34 | C2 | S | 81.4° | 90.1° |
| N4 | C34 | C2 | C3 | 41.0° | 28.2° |
| N4 | C34 | C | H | 122.1° | 118.5° |
| N4 | C34 | C2 | H2 | 165.5° | 151.5° |
| C34 | C2 | S | C3 | 126.9° | 118.3° |
| C34 | C2 | S | H2 | 115.2° | 118.4° |
| C34 | C2 | C3 | H2 | 124.5° | 123.4° |
| C34 | C2 | S | C1 | 40.3° | 34.7° |
| C34 | C2 | C3 | C4 | 165.9° | 175.0° |
| C2 | C34 | N4 | H4 | 61.6° | 59.7° |
| C2 | C34 | C | H | 117.1° | 123.8° |
| C34 | C2 | C3 | H31C | 73.7° | 65.0° |
| C34 | C2 | C3 | H32C | 45.6° | 55.0° |
| S | C2 | C3 | H2 | 116.0° | 123.3° |
| S | C2 | C3 | C4 | 74.5° | 71.7° |
| S | C2 | C34 | H34 | 152.9° | 148.3° |
| C2 | S | C1 | H11C | 81.9° | 83.6° |
| C2 | S | C1 | H12C | 157.2° | 152.9° |
| S | C2 | C3 | H31C | 45.8° | 48.3° |
| S | C2 | C3 | H32C | 165.1° | 168.3° |
| C3 | C2 | S | C1 | 167.2° | 153.0° |
| C2 | C3 | C4 | H31C | 120.4° | 120.0° |
| C2 | C3 | C4 | H32C | 120.3° | 120.0° |
| C2 | C3 | C4 | C5 | 174.4° | 180.0° |
| C3 | C2 | C34 | H34 | 84.7° | 93.4° |
| C2 | C3 | H31C | H32C | 118.9° | 120.0° |
| C2 | C3 | C4 | H41C | 53.6° | 60.0° |
| C2 | C3 | C4 | H42C | 64.8° | 60.0° |
| S | C1 | C | H | 146.1° | 148.3° |
| S | C1 | H11C | H12C | 121.2° | 123.4° |
| C1 | S | C2 | H2 | 74.8° | 83.6° |
| C3 | C4 | C5 | H41C | 120.8° | 120.0° |
| C3 | C4 | C5 | H42C | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 89.5° | 180.0° |
| C4 | C3 | C2 | H2 | 41.5° | 51.6° |
| C4 | C3 | H31C | H32C | 118.9° | 120.0° |
| C3 | C4 | H41C | H42C | 117.5° | 120.0° |
| C3 | C4 | C5 | H51C | 149.8° | 60.0° |
| C3 | C4 | C5 | H52C | 31.2° | 60.1° |
| C4 | C5 | C6 | H51C | 120.7° | 120.0° |
| C4 | C5 | C6 | H52C | 120.7° | 119.9° |
| C4 | C5 | C6 | C7 | 102.1° | 180.0° |
| C5 | C4 | C3 | H31C | 65.2° | 60.0° |
| C5 | C4 | C3 | H32C | 54.1° | 60.0° |
| C5 | C4 | H41C | H42C | 117.5° | 120.0° |
| C4 | C5 | H51C | H52C | 117.8° | 120.0° |
| C4 | C5 | C6 | H61C | 137.4° | 60.0° |
| C4 | C5 | C6 | H62C | 18.5° | 60.1° |
| C5 | C6 | C7 | H61C | 120.5° | 120.0° |
| C5 | C6 | C7 | H62C | 120.6° | 120.0° |
| C5 | C6 | C7 | O | 23.0° | 0.0° |
| C5 | C6 | C7 | N | 158.3° | 180.0° |
| C6 | C5 | C4 | H41C | 31.3° | 60.0° |
| C6 | C5 | C4 | H42C | 149.7° | 60.0° |
| C6 | C5 | H51C | H52C | 117.9° | 120.0° |
| C5 | C6 | H61C | H62C | 118.4° | 120.0° |
| C6 | C7 | O | N | 178.6° | 180.0° |
| C6 | C7 | N | N1 | 49.0° | 180.0° |
| C7 | C6 | C5 | H51C | 18.7° | 60.0° |
| C7 | C6 | C5 | H52C | 137.3° | 60.0° |
| C7 | C6 | H61C | H62C | 118.3° | 119.9° |
| C6 | C7 | N | HA | 131.0° | 0.0° |
| O | C7 | N | N1 | 132.3° | 0.0° |
| O | C7 | C6 | H61C | 143.5° | 120.0° |
| O | C7 | C6 | H62C | 97.6° | 120.0° |
| O | C7 | N | HA | 47.7° | 180.0° |
| C7 | N | N1 | HA | 180.0° | 180.0° |
| C7 | N | N1 | C8 | 85.0° | 174.6° |
| N | C7 | C6 | H61C | 37.8° | 60.0° |
| N | C7 | C6 | H62C | 81.1° | 60.0° |
| C7 | N | N1 | H1 | 36.7° | 5.4° |
| N | N1 | C8 | H1 | 121.6° | 180.0° |
| N | N1 | C8 | C13 | 74.7° | 145.8° |
| N | N1 | C8 | C9 | 102.5° | 34.5° |
| N1 | C8 | C13 | C9 | 177.2° | 179.7° |
| N1 | C8 | C13 | C14 | 12.1° | 0.0° |
| N1 | C8 | C13 | C12 | 173.6° | 180.0° |
| N1 | C8 | C9 | C10 | 173.3° | 179.8° |
| N1 | C8 | C9 | C24 | 13.6° | 0.0° |
| C8 | N1 | N | HA | 95.1° | 5.4° |
| C8 | C13 | C14 | C12 | 174.2° | 180.0° |
| C8 | C13 | C14 | C19 | 68.3° | 129.9° |
| C8 | C13 | C14 | C15 | 108.8° | 50.2° |
| C8 | C13 | C12 | C11 | 1.2° | 0.0° |
| C13 | C8 | C9 | C10 | 3.8° | 0.5° |
| C13 | C8 | C9 | C24 | 169.3° | 179.8° |
| C13 | C8 | N1 | H1 | 163.6° | 34.2° |
| C8 | C13 | C12 | H12 | 178.8° | 180.0° |
| C9 | C8 | C13 | C14 | 170.6° | 179.8° |
| C9 | C8 | C13 | C12 | 3.6° | 0.3° |
| C8 | C9 | C10 | C11 | 1.6° | 0.5° |
| C8 | C9 | C10 | C24 | 173.3° | 179.7° |
| C8 | C9 | C24 | C29 | 117.5° | 126.4° |
| C8 | C9 | C24 | C25 | 65.5° | 53.9° |
| C9 | C8 | N1 | H1 | 19.2° | 145.5° |
| C8 | C9 | C10 | H10 | 178.4° | 179.7° |
| C13 | C14 | C19 | C15 | 177.2° | 179.9° |
| C13 | C14 | C19 | C18 | 175.7° | 180.0° |
| C13 | C14 | C15 | C16 | 176.0° | 179.7° |
| C14 | C13 | C12 | C11 | 173.2° | 180.0° |
| C14 | C13 | C12 | H12 | 6.8° | 0.0° |
| C13 | C14 | C19 | H19 | 4.3° | 0.1° |
| C13 | C14 | C15 | H15 | 4.0° | 0.1° |
| C12 | C13 | C14 | C19 | 117.5° | 50.1° |
| C12 | C13 | C14 | C15 | 65.4° | 129.8° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.9° | 0.0° |
| C13 | C12 | C11 | H11 | 179.1° | 180.0° |
| C14 | C19 | C18 | H19 | 180.0° | 179.9° |
| C14 | C19 | C18 | C17 | 0.3° | 0.1° |
| C19 | C14 | C15 | C16 | 1.2° | 0.4° |
| C19 | C14 | C15 | H15 | 178.8° | 179.7° |
| C14 | C19 | C18 | H18 | 179.7° | 180.0° |
| C15 | C14 | C19 | C18 | 1.5° | 0.1° |
| C14 | C15 | C16 | C17 | 0.3° | 0.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C15 | C14 | C19 | H19 | 178.5° | 179.7° |
| C14 | C15 | C16 | H16 | 179.7° | 179.8° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | S1 | 176.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.2° | 0.1° |
| C18 | C17 | S1 | C16 | 177.3° | 180.0° |
| C18 | C17 | S1 | O2 | 27.2° | 23.6° |
| C18 | C17 | S1 | N2 | 142.0° | 90.0° |
| C18 | C17 | S1 | O1 | 103.4° | 156.5° |
| C18 | C17 | C16 | C15 | 1.5° | 0.2° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| C18 | C17 | C16 | H16 | 178.5° | 180.0° |
| C17 | S1 | O2 | N2 | 115.2° | 114.1° |
| C17 | S1 | O2 | O1 | 123.7° | 122.9° |
| C17 | S1 | N2 | O1 | 115.4° | 113.5° |
| C17 | S1 | N2 | C23 | 67.2° | 90.0° |
| C17 | S1 | N2 | C20 | 151.7° | 90.3° |
| S1 | C17 | C16 | C15 | 175.8° | 179.7° |
| S1 | C17 | C18 | H18 | 4.0° | 0.1° |
| S1 | C17 | C16 | H16 | 4.3° | 0.0° |
| C16 | C17 | S1 | O2 | 155.5° | 156.5° |
| C16 | C17 | S1 | N2 | 40.7° | 90.0° |
| C16 | C17 | S1 | O1 | 73.8° | 23.6° |
| C17 | C16 | C15 | H16 | 180.0° | 179.7° |
| C17 | C16 | C15 | H15 | 179.8° | 179.7° |
| C16 | C17 | C18 | H18 | 178.7° | 180.0° |
| O2 | S1 | N2 | O1 | 129.1° | 132.9° |
| O2 | S1 | N2 | C23 | 48.4° | 156.4° |
| O2 | S1 | N2 | C20 | 92.8° | 23.2° |
| S1 | N2 | C23 | C20 | 143.2° | 179.7° |
| S1 | N2 | C23 | C22 | 88.8° | 129.4° |
| S1 | N2 | C20 | C21 | 87.9° | 129.5° |
| S1 | N2 | C23 | H231 | 31.0° | 110.8° |
| S1 | N2 | C23 | H232 | 151.4° | 9.6° |
| S1 | N2 | C20 | H201 | 152.3° | 9.7° |
| S1 | N2 | C20 | H202 | 31.9° | 110.8° |
| O1 | S1 | N2 | C23 | 177.5° | 23.5° |
| O1 | S1 | N2 | C20 | 36.3° | 156.2° |
| N2 | C23 | C22 | H231 | 119.8° | 119.8° |
| N2 | C23 | C22 | H232 | 119.8° | 119.8° |
| N2 | C23 | C22 | O3 | 56.3° | 52.3° |
| C23 | N2 | C20 | C21 | 55.4° | 50.2° |
| N2 | C23 | H231 | H232 | 120.5° | 120.5° |
| C23 | N2 | C20 | H201 | 64.5° | 170.0° |
| C23 | N2 | C20 | H202 | 175.2° | 69.5° |
| N2 | C23 | C22 | H221 | 64.1° | 172.2° |
| N2 | C23 | C22 | H222 | 176.7° | 67.6° |
| C20 | N2 | C23 | C22 | 54.4° | 50.3° |
| N2 | C20 | C21 | O3 | 58.1° | 52.0° |
| N2 | C20 | C21 | H201 | 119.8° | 119.9° |
| N2 | C20 | C21 | H202 | 119.8° | 119.7° |
| C20 | N2 | C23 | H231 | 174.2° | 69.5° |
| C20 | N2 | C23 | H232 | 65.4° | 170.0° |
| N2 | C20 | H201 | H202 | 120.5° | 120.5° |
| N2 | C20 | C21 | H211 | 62.2° | 172.1° |
| N2 | C20 | C21 | H212 | 178.4° | 67.8° |
| C23 | C22 | O3 | H221 | 120.4° | 119.9° |
| C23 | C22 | O3 | H222 | 120.4° | 119.9° |
| C23 | C22 | O3 | C21 | 60.4° | 62.6° |
| C22 | C23 | H231 | H232 | 120.5° | 120.5° |
| C23 | C22 | H221 | H222 | 118.9° | 120.1° |
| C22 | O3 | C21 | C20 | 61.2° | 62.4° |
| O3 | C22 | C23 | H231 | 176.1° | 67.4° |
| O3 | C22 | C23 | H232 | 63.5° | 172.1° |
| O3 | C22 | H221 | H222 | 118.9° | 120.2° |
| C22 | O3 | C21 | H211 | 59.1° | 177.5° |
| C22 | O3 | C21 | H212 | 178.5° | 57.3° |
| O3 | C21 | C20 | H211 | 120.3° | 120.0° |
| O3 | C21 | C20 | H212 | 120.3° | 119.8° |
| O3 | C21 | C20 | H201 | 61.7° | 171.9° |
| O3 | C21 | C20 | H202 | 177.9° | 67.7° |
| C21 | O3 | C22 | H221 | 60.0° | 177.5° |
| C21 | O3 | C22 | H222 | 179.3° | 57.3° |
| O3 | C21 | H211 | H212 | 119.1° | 120.1° |
| C21 | C20 | H201 | H202 | 120.5° | 120.3° |
| C20 | C21 | H211 | H212 | 119.1° | 120.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.7° | 0.2° |
| C12 | C11 | C10 | H10 | 179.3° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C11 | C10 | C9 | C24 | 171.7° | 179.8° |
| C10 | C11 | C12 | H12 | 179.1° | 180.0° |
| C10 | C9 | C24 | C29 | 69.4° | 53.4° |
| C10 | C9 | C24 | C25 | 107.5° | 126.4° |
| C9 | C10 | C11 | H11 | 179.3° | 179.7° |
| C9 | C24 | C29 | C25 | 177.0° | 179.7° |
| C9 | C24 | C29 | C28 | 175.6° | 180.0° |
| C9 | C24 | C25 | C26 | 175.4° | 179.7° |
| C24 | C9 | C10 | H10 | 8.3° | 0.0° |
| C9 | C24 | C29 | H29 | 4.4° | 0.0° |
| C9 | C24 | C25 | H25 | 4.6° | 0.0° |
| C24 | C29 | C28 | H29 | 180.0° | 180.0° |
| C24 | C29 | C28 | C27 | 0.2° | 0.0° |
| C29 | C24 | C25 | C26 | 1.7° | 0.5° |
| C29 | C24 | C25 | H25 | 178.3° | 179.7° |
| C24 | C29 | C28 | H28 | 179.7° | 180.0° |
| C25 | C24 | C29 | C28 | 1.5° | 0.3° |
| C24 | C25 | C26 | C27 | 0.2° | 0.6° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C25 | C24 | C29 | H29 | 178.6° | 179.8° |
| C24 | C25 | C26 | H26 | 179.8° | 179.7° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 1.8° | 0.1° |
| C29 | C28 | C27 | S2 | 176.2° | 180.0° |
| C28 | C27 | C26 | S2 | 178.0° | 179.9° |
| C28 | C27 | C26 | C25 | 1.6° | 0.3° |
| C28 | C27 | S2 | O4 | 161.3° | 156.4° |
| C28 | C27 | S2 | O5 | 30.3° | 23.5° |
| C28 | C27 | S2 | N3 | 84.3° | 90.0° |
| C27 | C28 | C29 | H29 | 179.7° | 180.0° |
| C28 | C27 | C26 | H26 | 178.4° | 179.9° |
| C27 | C26 | C25 | H26 | 180.0° | 179.8° |
| C26 | C27 | S2 | O4 | 16.7° | 23.5° |
| C26 | C27 | S2 | O5 | 147.7° | 156.4° |
| C26 | C27 | S2 | N3 | 97.6° | 90.0° |
| C27 | C26 | C25 | H25 | 179.8° | 179.7° |
| C26 | C27 | C28 | H28 | 178.2° | 180.0° |
| S2 | C27 | C26 | C25 | 176.4° | 179.7° |
| C27 | S2 | O4 | O5 | 124.3° | 123.0° |
| C27 | S2 | O4 | N3 | 114.4° | 114.1° |
| C27 | S2 | O5 | N3 | 114.8° | 114.1° |
| C27 | S2 | N3 | C33 | 72.6° | 90.0° |
| C27 | S2 | N3 | C30 | 63.0° | 90.2° |
| S2 | C27 | C28 | H28 | 3.8° | 0.0° |
| S2 | C27 | C26 | H26 | 3.6° | 0.0° |
| O4 | S2 | O5 | N3 | 121.3° | 122.9° |
| O4 | S2 | N3 | C33 | 172.4° | 23.6° |
| O4 | S2 | N3 | C30 | 51.9° | 156.2° |
| O5 | S2 | N3 | C33 | 43.1° | 156.5° |
| O5 | S2 | N3 | C30 | 178.8° | 23.3° |
| S2 | N3 | C33 | C30 | 137.5° | 179.8° |
| S2 | N3 | C33 | C32 | 166.4° | 129.5° |
| S2 | N3 | C30 | C31 | 165.7° | 129.5° |
| S2 | N3 | C33 | H331 | 46.6° | 110.8° |
| S2 | N3 | C33 | H332 | 73.8° | 9.7° |
| S2 | N3 | C30 | H301 | 74.5° | 9.8° |
| S2 | N3 | C30 | H302 | 45.9° | 110.8° |
| N3 | C33 | C32 | H331 | 119.8° | 119.7° |
| N3 | C33 | C32 | H332 | 119.8° | 119.8° |
| N3 | C33 | C32 | O6 | 57.1° | 52.3° |
| C33 | N3 | C30 | C31 | 56.5° | 50.2° |
| N3 | C33 | H331 | H332 | 120.6° | 120.5° |
| C33 | N3 | C30 | H301 | 63.3° | 170.0° |
| C33 | N3 | C30 | H302 | 176.3° | 69.5° |
| N3 | C33 | C32 | H321 | 63.2° | 172.2° |
| N3 | C33 | C32 | H322 | 177.5° | 67.7° |
| C30 | N3 | C33 | C32 | 56.1° | 50.3° |
| N3 | C30 | C31 | O6 | 58.0° | 52.1° |
| N3 | C30 | C31 | H301 | 119.8° | 119.8° |
| N3 | C30 | C31 | H302 | 119.8° | 119.8° |
| C30 | N3 | C33 | H331 | 175.9° | 69.4° |
| C30 | N3 | C33 | H332 | 63.7° | 170.1° |
| N3 | C30 | H301 | H302 | 120.6° | 120.6° |
| N3 | C30 | C31 | H311 | 62.3° | 172.1° |
| N3 | C30 | C31 | H312 | 178.3° | 67.8° |
| C33 | C32 | O6 | H321 | 120.4° | 119.9° |
| C33 | C32 | O6 | H322 | 120.3° | 119.9° |
| C33 | C32 | O6 | C31 | 59.8° | 62.6° |
| C32 | C33 | H331 | H332 | 120.5° | 120.5° |
| C33 | C32 | H321 | H322 | 118.9° | 120.1° |
| C32 | O6 | C31 | C30 | 60.2° | 62.5° |
| O6 | C32 | C33 | H331 | 177.0° | 67.4° |
| O6 | C32 | C33 | H332 | 62.7° | 172.1° |
| O6 | C32 | H321 | H322 | 119.0° | 120.2° |
| C32 | O6 | C31 | H311 | 60.1° | 177.5° |
| C32 | O6 | C31 | H312 | 179.5° | 57.3° |
| O6 | C31 | C30 | H311 | 120.3° | 120.0° |
| O6 | C31 | C30 | H312 | 120.3° | 119.9° |
| O6 | C31 | C30 | H301 | 61.8° | 171.9° |
| O6 | C31 | C30 | H302 | 177.8° | 67.7° |
| C31 | O6 | C32 | H321 | 60.6° | 177.5° |
| C31 | O6 | C32 | H322 | 179.8° | 57.3° |
| O6 | C31 | H311 | H312 | 119.0° | 120.2° |
| C31 | C30 | H301 | H302 | 120.6° | 120.3° |
| C30 | C31 | H311 | H312 | 119.1° | 120.0° |
| H5 | N5 | C | H | 58.1° | 61.8° |
| H4 | N4 | C34 | H34 | 63.4° | 61.9° |
| H | C | C34 | H34 | 3.7° | 0.0° |
| H | C | C1 | H11C | 26.5° | 29.9° |
| H | C | C1 | H12C | 94.3° | 93.5° |
| H34 | C34 | C2 | H2 | 39.8° | 29.9° |
| H2 | C2 | C3 | H31C | 161.8° | 171.6° |
| H2 | C2 | C3 | H32C | 78.9° | 68.4° |
| H31C | C3 | C4 | H41C | 174.0° | 180.0° |
| H31C | C3 | C4 | H42C | 55.6° | 60.1° |
| H32C | C3 | C4 | H41C | 66.7° | 60.1° |
| H32C | C3 | C4 | H42C | 174.9° | 180.0° |
| H41C | C4 | C5 | H51C | 89.4° | 180.0° |
| H41C | C4 | C5 | H52C | 152.0° | 59.9° |
| H42C | C4 | C5 | H51C | 29.0° | 60.0° |
| H42C | C4 | C5 | H52C | 89.6° | 179.9° |
| H51C | C5 | C6 | H61C | 101.9° | 180.0° |
| H51C | C5 | C6 | H62C | 139.2° | 60.0° |
| H52C | C5 | C6 | H61C | 16.7° | 60.0° |
| H52C | C5 | C6 | H62C | 102.2° | 180.0° |
| HA | N | N1 | H1 | 143.3° | 174.6° |
| H12 | C12 | C11 | H11 | 1.0° | 0.1° |
| H19 | C19 | C18 | H18 | 0.2° | 0.1° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| H231 | C23 | C22 | H221 | 55.8° | 52.5° |
| H231 | C23 | C22 | H222 | 63.5° | 172.6° |
| H232 | C23 | C22 | H221 | 176.1° | 68.0° |
| H232 | C23 | C22 | H222 | 56.9° | 52.1° |
| H201 | C20 | C21 | H211 | 178.0° | 68.1° |
| H201 | C20 | C21 | H212 | 58.6° | 52.1° |
| H202 | C20 | C21 | H211 | 57.6° | 52.3° |
| H202 | C20 | C21 | H212 | 61.8° | 172.5° |
| H11 | C11 | C10 | H10 | 0.7° | 0.1° |
| H29 | C29 | C28 | H28 | 0.3° | 0.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.1° |
| H331 | C33 | C32 | H321 | 56.6° | 52.5° |
| H331 | C33 | C32 | H322 | 62.7° | 172.6° |
| H332 | C33 | C32 | H321 | 177.0° | 68.0° |
| H332 | C33 | C32 | H322 | 57.7° | 52.1° |
| H301 | C30 | C31 | H311 | 177.9° | 68.1° |
| H301 | C30 | C31 | H312 | 58.5° | 52.0° |
| H302 | C30 | C31 | H311 | 57.5° | 52.3° |
| H302 | C30 | C31 | H312 | 61.9° | 172.4° |
