L08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | N3 | doub | 1.22Å | 1.22Å | |
| N3 | C11 | sing | 1.48Å | 1.43Å | |
| N3 | O3 | sing | 1.22Å | 1.25Å | |
| C11 | C10 | doub | 1.39Å | 1.48Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.51Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.49Å | Aromatic |
| C10 | S1 | sing | 1.76Å | 1.82Å | |
| C15 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C14 | C13 | sing | 1.39Å | 1.47Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | C12 | doub | 1.39Å | 1.46Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.53Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C16 | C8 | doub | 1.40Å | 1.46Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.45Å | Aromatic |
| C8 | C35 | sing | 1.38Å | 1.44Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C35 | N20 | doub | 1.32Å | 1.45Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| N20 | C18 | sing | 1.33Å | 1.30Å | Aromatic |
| C18 | N1 | sing | 1.39Å | 1.44Å | |
| C18 | C17 | doub | 1.39Å | 1.53Å | Aromatic |
| N1 | C19 | sing | 1.47Å | 1.45Å | |
| N1 | C22 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | N2 | sing | 1.47Å | 1.51Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| N2 | C21 | sing | 1.47Å | 1.53Å | |
| N2 | C23 | sing | 1.35Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.59Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | O2 | doub | 1.21Å | 1.27Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| S1 | C1 | sing | 1.76Å | 1.75Å | |
| C1 | C2 | doub | 1.39Å | 1.49Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.48Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.50Å | Aromatic |
| C2 | O7 | sing | 1.36Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.50Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.49Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.45Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O7 | C9 | sing | 1.43Å | 1.49Å | |
| C9 | C33 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C33 | H333 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | N3 | C11 | 122.2° | 120.0° |
| O4 | N3 | O3 | 113.4° | 120.0° |
| C11 | N3 | O3 | 124.4° | 120.0° |
| N3 | C11 | C10 | 121.9° | 120.0° |
| N3 | C11 | C12 | 120.6° | 120.0° |
| C10 | C11 | C12 | 117.5° | 120.0° |
| C11 | C10 | C15 | 118.4° | 120.1° |
| C11 | C10 | S1 | 119.3° | 120.0° |
| C11 | C12 | C13 | 122.9° | 120.0° |
| C11 | C12 | H12 | 120.6° | 120.0° |
| C15 | C10 | S1 | 122.2° | 119.9° |
| C10 | C15 | C14 | 122.3° | 120.0° |
| C10 | C15 | H15 | 120.9° | 120.0° |
| C10 | S1 | C1 | 104.6° | 100.0° |
| C14 | C15 | H15 | 116.8° | 120.0° |
| C15 | C14 | C13 | 121.3° | 120.0° |
| C15 | C14 | H14 | 117.8° | 120.0° |
| C13 | C14 | H14 | 120.8° | 120.0° |
| C14 | C13 | C12 | 117.6° | 119.9° |
| C14 | C13 | C16 | 119.4° | 120.0° |
| C12 | C13 | C16 | 123.0° | 120.1° |
| C13 | C12 | H12 | 116.5° | 120.0° |
| C13 | C16 | C8 | 123.3° | 120.9° |
| C13 | C16 | C17 | 117.4° | 120.9° |
| C8 | C16 | C17 | 119.3° | 118.3° |
| C16 | C8 | C35 | 117.0° | 119.2° |
| C16 | C8 | H8 | 122.2° | 120.4° |
| C16 | C17 | C18 | 120.0° | 119.0° |
| C16 | C17 | H17 | 117.4° | 120.5° |
| C35 | C8 | H8 | 120.8° | 120.4° |
| C8 | C35 | N20 | 121.9° | 121.0° |
| C8 | C35 | H35 | 118.8° | 119.6° |
| N20 | C35 | H35 | 119.3° | 119.5° |
| C35 | N20 | C18 | 123.4° | 121.9° |
| N20 | C18 | N1 | 123.7° | 119.6° |
| N20 | C18 | C17 | 118.4° | 120.7° |
| N1 | C18 | C17 | 117.9° | 119.6° |
| C18 | N1 | C19 | 113.4° | 106.7° |
| C18 | N1 | C22 | 120.7° | 106.7° |
| C18 | C17 | H17 | 122.6° | 120.5° |
| C19 | N1 | C22 | 125.9° | 107.4° |
| N1 | C19 | C20 | 108.0° | 109.6° |
| N1 | C19 | H191 | 112.7° | 109.5° |
| N1 | C19 | H192 | 112.8° | 109.5° |
| N1 | C22 | C21 | 105.2° | 109.6° |
| N1 | C22 | H221 | 113.8° | 109.4° |
| N1 | C22 | H222 | 113.8° | 109.4° |
| C20 | C19 | H191 | 112.8° | 109.5° |
| C20 | C19 | H192 | 112.8° | 109.5° |
| C19 | C20 | N2 | 109.4° | 108.4° |
| C19 | C20 | H201 | 112.2° | 109.7° |
| C19 | C20 | H202 | 112.2° | 109.7° |
| H191 | C19 | H192 | 97.7° | 109.4° |
| N2 | C20 | H201 | 112.2° | 109.7° |
| N2 | C20 | H202 | 112.2° | 109.7° |
| C20 | N2 | C21 | 115.9° | 117.9° |
| C20 | N2 | C23 | 110.1° | 121.1° |
| H201 | C20 | H202 | 98.2° | 109.7° |
| C21 | N2 | C23 | 108.2° | 121.0° |
| N2 | C21 | C22 | 110.2° | 108.4° |
| N2 | C21 | H211 | 111.9° | 109.7° |
| N2 | C21 | H212 | 111.9° | 109.6° |
| N2 | C23 | O2 | 121.2° | 120.0° |
| N2 | C23 | C24 | 120.6° | 120.0° |
| C22 | C21 | H211 | 112.0° | 109.7° |
| C22 | C21 | H212 | 111.9° | 109.7° |
| C21 | C22 | H221 | 113.8° | 109.5° |
| C21 | C22 | H222 | 113.8° | 109.4° |
| H211 | C21 | H212 | 98.5° | 109.8° |
| H221 | C22 | H222 | 96.7° | 109.4° |
| O2 | C23 | C24 | 118.1° | 120.0° |
| C23 | C24 | H241 | 108.2° | 109.5° |
| C23 | C24 | H242 | 120.6° | 109.5° |
| C23 | C24 | H243 | 108.2° | 109.5° |
| H241 | C24 | H242 | 108.2° | 109.5° |
| H241 | C24 | H243 | 101.7° | 109.5° |
| H242 | C24 | H243 | 108.2° | 109.4° |
| S1 | C1 | C2 | 118.7° | 120.1° |
| S1 | C1 | C6 | 118.7° | 120.1° |
| C2 | C1 | C6 | 122.6° | 119.8° |
| C1 | C2 | C3 | 117.7° | 119.8° |
| C1 | C2 | O7 | 117.9° | 120.1° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C1 | C6 | H6 | 121.1° | 120.0° |
| C3 | C2 | O7 | 124.4° | 120.1° |
| C2 | C3 | C4 | 119.2° | 120.0° |
| C2 | C3 | H3 | 120.4° | 120.0° |
| C2 | O7 | C9 | 121.5° | 106.8° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | 121.0° | 120.2° |
| C3 | C4 | H4 | 119.6° | 119.9° |
| C5 | C4 | H4 | 119.4° | 119.9° |
| C4 | C5 | C6 | 119.9° | 120.2° |
| C4 | C5 | H5 | 121.5° | 119.9° |
| C6 | C5 | H5 | 118.6° | 120.0° |
| C5 | C6 | H6 | 119.3° | 120.0° |
| O7 | C9 | C33 | 108.0° | 109.5° |
| O7 | C9 | H91 | 112.7° | 109.4° |
| O7 | C9 | H92 | 112.7° | 109.5° |
| C33 | C9 | H91 | 112.8° | 109.5° |
| C33 | C9 | H92 | 112.7° | 109.4° |
| C9 | C33 | H331 | 112.8° | 109.5° |
| C9 | C33 | H332 | 108.0° | 109.5° |
| C9 | C33 | H333 | 112.7° | 109.5° |
| H91 | C9 | H92 | 97.7° | 109.5° |
| H331 | C33 | H332 | 112.7° | 109.4° |
| H331 | C33 | H333 | 97.7° | 109.4° |
| H332 | C33 | H333 | 112.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | N3 | C11 | O3 | 179.5° | 180.0° |
| O4 | N3 | C11 | C10 | 161.5° | 179.5° |
| O4 | N3 | C11 | C12 | 18.6° | 0.1° |
| N3 | C11 | C10 | C12 | 179.9° | 179.6° |
| N3 | C11 | C10 | C15 | 179.9° | 179.9° |
| N3 | C11 | C10 | S1 | 0.0° | 0.2° |
| N3 | C11 | C12 | C13 | 179.9° | 180.0° |
| N3 | C11 | C12 | H12 | 0.1° | 0.1° |
| O3 | N3 | C11 | C10 | 19.0° | 0.5° |
| O3 | N3 | C11 | C12 | 160.9° | 179.9° |
| C11 | C10 | C15 | S1 | 179.9° | 179.7° |
| C11 | C10 | C15 | C14 | 0.1° | 0.3° |
| C11 | C10 | C15 | H15 | 179.9° | 179.7° |
| C10 | C11 | C12 | C13 | 0.0° | 0.4° |
| C10 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C10 | S1 | C1 | 154.1° | 173.8° |
| C12 | C11 | C10 | C15 | 0.0° | 0.5° |
| C12 | C11 | C10 | S1 | 179.9° | 179.8° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C16 | 179.6° | 179.8° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C10 | C15 | C14 | H14 | 179.9° | 180.0° |
| C15 | C10 | S1 | C1 | 25.8° | 5.9° |
| S1 | C10 | C15 | C14 | 179.9° | 180.0° |
| S1 | C10 | C15 | H15 | 0.1° | 0.0° |
| C10 | S1 | C1 | C2 | 83.8° | 77.0° |
| C10 | S1 | C1 | C6 | 96.0° | 103.5° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | C16 | 179.7° | 180.0° |
| H15 | C15 | C14 | C13 | 179.9° | 180.0° |
| H15 | C15 | C14 | H14 | 0.1° | 0.0° |
| C14 | C13 | C12 | C16 | 179.5° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 179.9° |
| C14 | C13 | C16 | C8 | 149.3° | 140.3° |
| C14 | C13 | C16 | C17 | 31.1° | 40.0° |
| H14 | C14 | C13 | C12 | 179.9° | 180.0° |
| H14 | C14 | C13 | C16 | 0.4° | 0.0° |
| C12 | C13 | C16 | C8 | 31.2° | 39.7° |
| C12 | C13 | C16 | C17 | 148.4° | 140.0° |
| C16 | C13 | C12 | H12 | 0.4° | 0.1° |
| C13 | C16 | C8 | C17 | 179.6° | 179.7° |
| C13 | C16 | C8 | C35 | 179.7° | 180.0° |
| C13 | C16 | C8 | H8 | 0.3° | 0.1° |
| C13 | C16 | C17 | C18 | 179.6° | 179.7° |
| C13 | C16 | C17 | H17 | 0.4° | 0.3° |
| C16 | C8 | C35 | H8 | 180.0° | 180.0° |
| C16 | C8 | C35 | N20 | 0.1° | 0.0° |
| C16 | C8 | C35 | H35 | 179.8° | 180.0° |
| C8 | C16 | C17 | C18 | 0.0° | 0.6° |
| C8 | C16 | C17 | H17 | 180.0° | 180.0° |
| C17 | C16 | C8 | C35 | 0.1° | 0.3° |
| C17 | C16 | C8 | H8 | 179.9° | 179.7° |
| C16 | C17 | C18 | N20 | 0.0° | 0.6° |
| C16 | C17 | C18 | N1 | 179.5° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.4° |
| C8 | C35 | N20 | H35 | 180.0° | 179.9° |
| C8 | C35 | N20 | C18 | 0.1° | 0.0° |
| H8 | C8 | C35 | N20 | 179.9° | 179.9° |
| H8 | C8 | C35 | H35 | 0.2° | 0.0° |
| C35 | N20 | C18 | N1 | 179.5° | 180.0° |
| C35 | N20 | C18 | C17 | 0.0° | 0.3° |
| H35 | C35 | N20 | C18 | 179.9° | 180.0° |
| N20 | C18 | N1 | C17 | 179.5° | 179.6° |
| N20 | C18 | N1 | C19 | 77.7° | 0.0° |
| N20 | C18 | N1 | C22 | 103.8° | 114.6° |
| N20 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | N1 | C19 | C22 | 178.4° | 114.1° |
| C18 | N1 | C19 | C20 | 126.7° | 179.0° |
| C18 | N1 | C19 | H191 | 1.4° | 60.9° |
| C18 | N1 | C19 | H192 | 108.1° | 59.0° |
| C18 | N1 | C22 | C21 | 131.0° | 179.1° |
| C18 | N1 | C22 | H221 | 103.7° | 59.0° |
| C18 | N1 | C22 | H222 | 5.8° | 61.0° |
| N1 | C18 | C17 | H17 | 0.5° | 0.4° |
| C17 | C18 | N1 | C19 | 101.8° | 179.7° |
| C17 | C18 | N1 | C22 | 76.7° | 65.7° |
| N1 | C19 | C20 | H191 | 125.2° | 120.1° |
| N1 | C19 | C20 | H192 | 125.3° | 120.0° |
| N1 | C19 | H191 | H192 | 118.7° | 119.9° |
| N1 | C19 | C20 | N2 | 50.4° | 56.0° |
| N1 | C19 | C20 | H201 | 74.8° | 175.7° |
| N1 | C19 | C20 | H202 | 175.7° | 63.7° |
| C19 | N1 | C22 | C21 | 50.7° | 66.9° |
| C19 | N1 | C22 | H221 | 74.5° | 173.0° |
| C19 | N1 | C22 | H222 | 176.0° | 53.1° |
| C22 | N1 | C19 | C20 | 54.9° | 66.9° |
| C22 | N1 | C19 | H191 | 179.8° | 53.2° |
| C22 | N1 | C19 | H192 | 70.3° | 173.1° |
| N1 | C22 | C21 | N2 | 44.3° | 55.9° |
| N1 | C22 | C21 | H221 | 125.3° | 120.1° |
| N1 | C22 | C21 | H222 | 125.2° | 120.0° |
| N1 | C22 | C21 | H211 | 80.9° | 175.7° |
| N1 | C22 | C21 | H212 | 169.6° | 63.7° |
| N1 | C22 | H221 | H222 | 119.7° | 119.9° |
| C20 | C19 | H191 | H192 | 118.7° | 119.9° |
| C19 | C20 | N2 | H201 | 125.2° | 119.7° |
| C19 | C20 | N2 | H202 | 125.3° | 119.8° |
| C19 | C20 | H201 | H202 | 118.1° | 120.5° |
| C19 | C20 | N2 | C21 | 57.4° | 49.0° |
| C19 | C20 | N2 | C23 | 179.4° | 131.0° |
| H191 | C19 | C20 | N2 | 175.7° | 64.1° |
| H191 | C19 | C20 | H201 | 50.4° | 55.7° |
| H191 | C19 | C20 | H202 | 59.1° | 176.2° |
| H192 | C19 | C20 | N2 | 74.8° | 176.0° |
| H192 | C19 | C20 | H201 | 159.9° | 64.2° |
| H192 | C19 | C20 | H202 | 50.4° | 56.3° |
| N2 | C20 | H201 | H202 | 118.2° | 120.5° |
| C20 | N2 | C21 | C23 | 124.2° | 180.0° |
| C20 | N2 | C21 | C22 | 54.5° | 49.0° |
| C20 | N2 | C21 | H211 | 70.8° | 168.7° |
| C20 | N2 | C21 | H212 | 179.7° | 70.7° |
| C20 | N2 | C23 | O2 | 120.3° | 0.0° |
| C20 | N2 | C23 | C24 | 59.0° | 180.0° |
| H201 | C20 | N2 | C21 | 67.8° | 168.7° |
| H201 | C20 | N2 | C23 | 55.4° | 11.2° |
| H202 | C20 | N2 | C21 | 177.3° | 70.7° |
| H202 | C20 | N2 | C23 | 54.1° | 109.3° |
| N2 | C21 | C22 | H211 | 125.3° | 119.7° |
| N2 | C21 | C22 | H212 | 125.2° | 119.7° |
| N2 | C21 | H211 | H212 | 117.9° | 120.5° |
| N2 | C21 | C22 | H221 | 80.9° | 176.0° |
| N2 | C21 | C22 | H222 | 169.6° | 64.0° |
| C21 | N2 | C23 | O2 | 112.0° | 180.0° |
| C21 | N2 | C23 | C24 | 68.6° | 0.0° |
| C23 | N2 | C21 | C22 | 178.7° | 131.0° |
| C23 | N2 | C21 | H211 | 53.4° | 11.2° |
| C23 | N2 | C21 | H212 | 56.1° | 109.3° |
| N2 | C23 | O2 | C24 | 179.4° | 180.0° |
| N2 | C23 | C24 | H241 | 54.7° | 60.0° |
| N2 | C23 | C24 | H242 | 180.0° | 180.0° |
| N2 | C23 | C24 | H243 | 54.7° | 60.0° |
| C22 | C21 | H211 | H212 | 117.8° | 120.5° |
| C21 | C22 | H221 | H222 | 119.7° | 120.0° |
| H211 | C21 | C22 | H221 | 153.8° | 64.3° |
| H211 | C21 | C22 | H222 | 44.3° | 55.7° |
| H212 | C21 | C22 | H221 | 44.3° | 56.3° |
| H212 | C21 | C22 | H222 | 65.2° | 176.3° |
| O2 | C23 | C24 | H241 | 125.9° | 120.0° |
| O2 | C23 | C24 | H242 | 0.6° | 0.0° |
| O2 | C23 | C24 | H243 | 124.6° | 120.0° |
| C23 | C24 | H241 | H242 | 132.3° | 120.0° |
| C23 | C24 | H241 | H243 | 113.8° | 120.0° |
| C23 | C24 | H242 | H243 | 125.3° | 120.0° |
| H241 | C24 | H242 | H243 | 109.5° | 120.0° |
| S1 | C1 | C2 | C6 | 179.8° | 179.5° |
| S1 | C1 | C2 | C3 | 180.0° | 180.0° |
| S1 | C1 | C2 | O7 | 0.2° | 0.3° |
| S1 | C1 | C6 | C5 | 179.9° | 180.0° |
| S1 | C1 | C6 | H6 | 0.0° | 0.2° |
| C1 | C2 | C3 | O7 | 179.8° | 179.7° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C1 | C2 | C3 | H3 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C2 | C1 | C6 | H6 | 179.9° | 179.7° |
| C1 | C2 | O7 | C9 | 151.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.2° | 0.5° |
| C6 | C1 | C2 | O7 | 179.6° | 179.8° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 179.9° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | O7 | C9 | 27.9° | 0.0° |
| O7 | C2 | C3 | C4 | 179.7° | 180.0° |
| O7 | C2 | C3 | H3 | 0.3° | 0.1° |
| C2 | O7 | C9 | C33 | 164.5° | 180.0° |
| C2 | O7 | C9 | H91 | 39.2° | 60.0° |
| C2 | O7 | C9 | H92 | 70.3° | 60.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| O7 | C9 | C33 | H91 | 125.3° | 120.0° |
| O7 | C9 | C33 | H92 | 125.2° | 120.0° |
| O7 | C9 | H91 | H92 | 118.7° | 120.0° |
| O7 | C9 | C33 | H331 | 54.7° | 60.0° |
| O7 | C9 | C33 | H332 | 180.0° | 180.0° |
| O7 | C9 | C33 | H333 | 54.8° | 60.0° |
| C33 | C9 | H91 | H92 | 118.7° | 120.0° |
| C9 | C33 | H331 | H332 | 122.7° | 120.0° |
| C9 | C33 | H331 | H333 | 118.7° | 120.0° |
| C9 | C33 | H332 | H333 | 125.2° | 120.0° |
| H91 | C9 | C33 | H331 | 180.0° | NaN° |
| H91 | C9 | C33 | H332 | 54.7° | 60.0° |
| H91 | C9 | C33 | H333 | 70.5° | 60.0° |
| H92 | C9 | C33 | H331 | 70.5° | 60.0° |
| H92 | C9 | C33 | H332 | 54.8° | 60.0° |
| H92 | C9 | C33 | H333 | 180.0° | 180.0° |
| H331 | C33 | H332 | H333 | 109.5° | 119.9° |
