773
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C9 | sing | 1.43Å | 1.44Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C8 | O1 | sing | 1.43Å | 1.41Å | |
| C8 | O2 | sing | 1.43Å | 1.41Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| O1 | C12 | sing | 1.43Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C10 | N1 | sing | 1.47Å | 1.43Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| N1 | C14 | sing | 1.47Å | 1.43Å | |
| N1 | C15 | sing | 1.47Å | 1.48Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| O2 | C7 | sing | 1.44Å | 1.43Å | |
| C7 | C5 | sing | 1.52Å | 1.57Å | |
| C7 | C16 | sing | 1.52Å | 1.56Å | |
| C7 | H7 | sing | 1.10Å | 1.11Å | |
| C5 | C4 | sing | 1.52Å | 1.44Å | |
| C5 | C6 | sing | 1.54Å | 1.47Å | |
| C5 | H5 | sing | 1.08Å | 1.11Å | |
| C4 | O10 | doub | 1.21Å | 1.19Å | |
| C4 | C2 | sing | 1.51Å | 1.58Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C1 | O5 | doub | 1.21Å | 1.20Å | |
| C1 | O4 | sing | 1.34Å | 1.34Å | |
| O4 | C25 | sing | 1.45Å | 1.49Å | |
| C25 | C42 | sing | 1.53Å | 1.56Å | |
| C25 | C26 | sing | 1.54Å | 1.50Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C42 | C43 | sing | 1.53Å | 1.49Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å | |
| C26 | O7 | sing | 1.47Å | 1.46Å | |
| C26 | C23 | sing | 1.53Å | 1.61Å | |
| C26 | C27 | sing | 1.52Å | 1.51Å | |
| O7 | C24 | sing | 1.33Å | 1.38Å | |
| C24 | O6 | doub | 1.21Å | 1.23Å | |
| C24 | N2 | sing | 1.34Å | 1.36Å | |
| N2 | C23 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C23 | C22 | sing | 1.52Å | 1.54Å | |
| C23 | H23 | sing | 1.12Å | 1.12Å | |
| C22 | C21 | sing | 1.51Å | 1.47Å | |
| C22 | C41 | sing | 1.54Å | 1.53Å | |
| C22 | H22 | sing | 1.08Å | 1.12Å | |
| C21 | O9 | doub | 1.21Å | 1.17Å | |
| C21 | C19 | sing | 1.51Å | 1.59Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.52Å | 1.55Å | |
| C19 | H19 | sing | 1.09Å | 1.12Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C18 | C16 | sing | 1.52Å | 1.50Å | |
| C18 | H181 | sing | 1.10Å | 1.11Å | |
| C18 | H182 | sing | 1.10Å | 1.12Å | |
| C16 | O8 | sing | 1.46Å | 1.48Å | |
| C16 | C17 | sing | 1.52Å | 1.50Å | |
| O8 | C28 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.51Å | 1.43Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | doub | 1.32Å | 1.24Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.48Å | 1.49Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C40 | sing | 1.41Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.41Å | 1.43Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C38 | doub | 1.42Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.38Å | Aromatic |
| C38 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.41Å | 1.33Å | Aromatic |
| N3 | C40 | doub | 1.31Å | 1.34Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C37 | C36 | doub | 1.36Å | 1.37Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C36 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C35 | C34 | doub | 1.36Å | 1.24Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.12Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C41 | H413 | sing | 1.09Å | 1.11Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O3 | HO3 | 109.6° | 106.8° |
| O3 | C9 | C8 | 109.6° | 109.6° |
| O3 | C9 | C10 | 109.1° | 109.5° |
| O3 | C9 | H9 | 109.4° | 109.5° |
| C8 | C9 | C10 | 109.0° | 109.0° |
| C8 | C9 | H9 | 109.7° | 109.7° |
| C9 | C8 | O1 | 110.1° | 109.8° |
| C9 | C8 | O2 | 109.1° | 109.4° |
| C9 | C8 | H8 | 108.3° | 109.4° |
| C10 | C9 | H9 | 110.0° | 109.6° |
| C9 | C10 | C11 | 110.5° | 108.6° |
| C9 | C10 | N1 | 109.3° | 109.7° |
| C9 | C10 | H10 | 112.8° | 109.8° |
| O1 | C8 | O2 | 106.4° | 109.4° |
| O1 | C8 | H8 | 111.0° | 109.5° |
| C8 | O1 | C12 | 111.9° | 107.6° |
| O2 | C8 | H8 | 111.9° | 109.4° |
| C8 | O2 | C7 | 116.0° | 106.8° |
| O1 | C12 | C13 | 105.7° | 109.3° |
| O1 | C12 | C11 | 109.6° | 109.8° |
| O1 | C12 | H12 | 112.8° | 109.4° |
| C13 | C12 | C11 | 112.2° | 109.4° |
| C13 | C12 | H12 | 110.3° | 109.4° |
| C12 | C13 | H131 | 105.7° | 109.5° |
| C12 | C13 | H132 | 113.6° | 109.4° |
| C12 | C13 | H133 | 113.6° | 109.5° |
| C11 | C12 | H12 | 106.3° | 109.5° |
| C12 | C11 | C10 | 109.3° | 109.0° |
| C12 | C11 | H111 | 112.3° | 109.6° |
| C12 | C11 | H112 | 112.3° | 109.5° |
| H131 | C13 | H132 | 113.6° | 109.5° |
| H131 | C13 | H133 | 113.6° | 109.4° |
| H132 | C13 | H133 | 96.8° | 109.4° |
| C10 | C11 | H111 | 112.3° | 109.6° |
| C10 | C11 | H112 | 112.3° | 109.5° |
| C11 | C10 | N1 | 118.7° | 109.6° |
| C11 | C10 | H10 | 101.8° | 109.6° |
| H111 | C11 | H112 | 98.1° | 109.6° |
| N1 | C10 | H10 | 103.2° | 109.6° |
| C10 | N1 | C14 | 113.2° | 106.7° |
| C10 | N1 | C15 | 114.7° | 106.7° |
| C14 | N1 | C15 | 107.6° | 106.7° |
| N1 | C14 | H141 | 113.2° | 109.5° |
| N1 | C14 | H142 | 110.9° | 109.5° |
| N1 | C14 | H143 | 110.9° | 109.4° |
| N1 | C15 | H151 | 114.7° | 109.4° |
| N1 | C15 | H152 | 110.3° | 109.5° |
| N1 | C15 | H153 | 110.3° | 109.5° |
| H141 | C14 | H142 | 110.8° | 109.5° |
| H141 | C14 | H143 | 110.8° | 109.5° |
| H142 | C14 | H143 | 99.5° | 109.5° |
| H151 | C15 | H152 | 110.3° | 109.5° |
| H151 | C15 | H153 | 110.3° | 109.5° |
| H152 | C15 | H153 | 100.0° | 109.5° |
| O2 | C7 | C5 | 109.2° | 108.8° |
| O2 | C7 | C16 | 109.1° | 108.9° |
| O2 | C7 | H7 | 111.7° | 107.0° |
| C5 | C7 | C16 | 114.3° | 115.8° |
| C5 | C7 | H7 | 106.2° | 107.9° |
| C7 | C5 | C4 | 112.0° | 108.7° |
| C7 | C5 | C6 | 116.3° | 109.0° |
| C7 | C5 | H5 | 102.1° | 113.8° |
| C16 | C7 | H7 | 106.3° | 108.1° |
| C7 | C16 | C18 | 113.0° | 110.8° |
| C7 | C16 | O8 | 103.3° | 106.0° |
| C7 | C16 | C17 | 112.7° | 114.0° |
| C4 | C5 | C6 | 108.0° | 107.6° |
| C4 | C5 | H5 | 111.5° | 108.4° |
| C5 | C4 | O10 | 121.9° | 119.4° |
| C5 | C4 | C2 | 116.2° | 120.5° |
| C6 | C5 | H5 | 106.6° | 109.1° |
| C5 | C6 | H61 | 116.4° | 109.5° |
| C5 | C6 | H62 | 109.8° | 109.4° |
| C5 | C6 | H63 | 109.7° | 109.5° |
| O10 | C4 | C2 | 121.6° | 120.1° |
| C4 | C2 | C1 | 110.2° | 109.9° |
| C4 | C2 | C3 | 113.8° | 109.3° |
| C4 | C2 | H2 | 105.2° | 110.2° |
| C1 | C2 | C3 | 107.1° | 108.9° |
| C1 | C2 | H2 | 112.2° | 109.4° |
| C2 | C1 | O5 | 123.1° | 119.7° |
| C2 | C1 | O4 | 111.0° | 120.4° |
| C3 | C2 | H2 | 108.5° | 109.1° |
| C2 | C3 | H31 | 113.8° | 109.5° |
| C2 | C3 | H32A | 110.6° | 109.5° |
| C2 | C3 | H33 | 110.6° | 109.5° |
| O5 | C1 | O4 | 125.8° | 119.9° |
| C1 | O4 | C25 | 118.9° | 120.8° |
| O4 | C25 | C42 | 105.8° | 109.5° |
| O4 | C25 | C26 | 106.5° | 109.8° |
| O4 | C25 | H25 | 117.6° | 110.1° |
| C42 | C25 | C26 | 119.1° | 109.1° |
| C42 | C25 | H25 | 104.6° | 109.6° |
| C25 | C42 | C43 | 119.6° | 109.4° |
| C25 | C42 | H421 | 108.6° | 109.4° |
| C25 | C42 | H422 | 108.5° | 109.5° |
| C26 | C25 | H25 | 103.9° | 108.7° |
| C25 | C26 | O7 | 106.9° | 108.7° |
| C25 | C26 | C23 | 109.3° | 110.2° |
| C25 | C26 | C27 | 111.9° | 109.7° |
| C43 | C42 | H421 | 108.6° | 109.5° |
| C43 | C42 | H422 | 108.6° | 109.5° |
| C42 | C43 | H431 | 119.6° | 109.5° |
| C42 | C43 | H432 | 108.6° | 109.6° |
| C42 | C43 | H433 | 108.6° | 109.4° |
| H421 | C42 | H422 | 101.5° | 109.5° |
| H431 | C43 | H432 | 108.6° | 109.5° |
| H431 | C43 | H433 | 108.6° | 109.4° |
| H432 | C43 | H433 | 101.4° | 109.5° |
| O7 | C26 | C23 | 102.8° | 103.9° |
| O7 | C26 | C27 | 109.8° | 108.5° |
| C26 | O7 | C24 | 111.9° | 109.5° |
| C23 | C26 | C27 | 115.5° | 115.5° |
| C26 | C23 | N2 | 96.8° | 104.1° |
| C26 | C23 | C22 | 118.4° | 117.2° |
| C26 | C23 | H23 | 113.4° | 108.4° |
| C26 | C27 | H271 | 111.9° | 109.5° |
| C26 | C27 | H272 | 111.3° | 109.5° |
| C26 | C27 | H273 | 111.4° | 109.5° |
| O7 | C24 | O6 | 120.2° | 123.1° |
| O7 | C24 | N2 | 105.7° | 113.6° |
| O6 | C24 | N2 | 134.1° | 123.3° |
| C24 | N2 | C23 | 116.3° | 108.9° |
| C24 | N2 | HN2 | 118.5° | 124.6° |
| C23 | N2 | HN2 | 125.2° | 126.5° |
| N2 | C23 | C22 | 112.3° | 111.9° |
| N2 | C23 | H23 | 119.3° | 107.1° |
| C22 | C23 | H23 | 98.1° | 107.8° |
| C23 | C22 | C21 | 108.2° | 109.2° |
| C23 | C22 | C41 | 115.3° | 109.7° |
| C23 | C22 | H22 | 104.9° | 114.7° |
| C21 | C22 | C41 | 104.1° | 107.4° |
| C21 | C22 | H22 | 115.9° | 108.6° |
| C22 | C21 | O9 | 124.9° | 119.8° |
| C22 | C21 | C19 | 115.5° | 120.6° |
| C41 | C22 | H22 | 108.9° | 106.9° |
| C22 | C41 | H411 | 115.3° | 109.5° |
| C22 | C41 | H412 | 110.1° | 109.5° |
| C22 | C41 | H413 | 110.1° | 109.5° |
| O9 | C21 | C19 | 119.6° | 119.5° |
| C21 | C19 | C20 | 111.4° | 107.9° |
| C21 | C19 | C18 | 116.8° | 108.9° |
| C21 | C19 | H19 | 102.5° | 108.0° |
| C20 | C19 | C18 | 108.6° | 111.9° |
| C20 | C19 | H19 | 111.7° | 109.6° |
| C19 | C20 | H201 | 111.4° | 109.5° |
| C19 | C20 | H202 | 111.5° | 109.4° |
| C19 | C20 | H203 | 111.5° | 109.5° |
| C18 | C19 | H19 | 105.6° | 110.4° |
| C19 | C18 | C16 | 114.2° | 116.5° |
| C19 | C18 | H181 | 110.5° | 108.9° |
| C19 | C18 | H182 | 110.5° | 108.1° |
| H201 | C20 | H202 | 111.5° | 109.5° |
| H201 | C20 | H203 | 111.5° | 109.5° |
| H202 | C20 | H203 | 98.9° | 109.5° |
| C16 | C18 | H181 | 110.5° | 108.7° |
| C16 | C18 | H182 | 110.5° | 108.2° |
| C18 | C16 | O8 | 105.0° | 106.1° |
| C18 | C16 | C17 | 110.7° | 113.6° |
| H181 | C18 | H182 | 99.8° | 106.1° |
| O8 | C16 | C17 | 111.6° | 105.7° |
| C16 | O8 | C28 | 119.0° | 106.8° |
| C16 | C17 | H171 | 112.7° | 109.4° |
| C16 | C17 | H172 | 111.0° | 109.5° |
| C16 | C17 | H173 | 111.0° | 109.5° |
| O8 | C28 | C29 | 114.6° | 109.5° |
| O8 | C28 | H281 | 110.3° | 109.5° |
| O8 | C28 | H282 | 110.3° | 109.5° |
| C29 | C28 | H281 | 110.4° | 109.4° |
| C29 | C28 | H282 | 110.4° | 109.5° |
| C28 | C29 | C30 | 125.4° | 120.1° |
| C28 | C29 | H29 | 125.0° | 119.9° |
| H281 | C28 | H282 | 99.9° | 109.5° |
| C30 | C29 | H29 | 109.6° | 120.0° |
| C29 | C30 | C31 | 127.0° | 120.1° |
| C29 | C30 | H30 | 106.2° | 120.0° |
| C31 | C30 | H30 | 126.8° | 119.9° |
| C30 | C31 | C32 | 123.5° | 120.3° |
| C30 | C31 | C40 | 119.6° | 120.2° |
| C32 | C31 | C40 | 116.7° | 119.5° |
| C31 | C32 | C33 | 121.0° | 118.0° |
| C31 | C32 | H32 | 117.6° | 121.0° |
| C31 | C40 | N3 | 125.4° | 121.5° |
| C31 | C40 | H40 | 120.1° | 119.2° |
| C33 | C32 | H32 | 121.4° | 121.0° |
| C32 | C33 | C38 | 116.7° | 119.1° |
| C32 | C33 | C34 | 124.5° | 121.3° |
| C38 | C33 | C34 | 118.8° | 119.6° |
| C33 | C38 | N3 | 123.5° | 120.2° |
| C33 | C38 | C37 | 119.3° | 119.0° |
| C33 | C34 | C35 | 122.2° | 119.7° |
| C33 | C34 | H34 | 124.2° | 120.2° |
| N3 | C38 | C37 | 117.0° | 120.8° |
| C38 | N3 | C40 | 116.6° | 121.7° |
| C38 | C37 | C36 | 118.9° | 119.8° |
| C38 | C37 | H37 | 118.8° | 120.1° |
| N3 | C40 | H40 | 114.6° | 119.2° |
| C36 | C37 | H37 | 122.3° | 120.1° |
| C37 | C36 | C35 | 120.5° | 121.1° |
| C37 | C36 | H36 | 119.3° | 119.4° |
| C35 | C36 | H36 | 120.2° | 119.5° |
| C36 | C35 | C34 | 120.2° | 120.8° |
| C36 | C35 | H35 | 125.3° | 119.6° |
| C34 | C35 | H35 | 114.5° | 119.6° |
| C35 | C34 | H34 | 113.6° | 120.2° |
| H171 | C17 | H172 | 111.0° | 109.5° |
| H171 | C17 | H173 | 111.0° | 109.5° |
| H172 | C17 | H173 | 99.3° | 109.5° |
| H411 | C41 | H412 | 110.1° | 109.4° |
| H411 | C41 | H413 | 110.1° | 109.4° |
| H412 | C41 | H413 | 100.2° | 109.5° |
| H271 | C27 | H272 | 111.2° | 109.5° |
| H271 | C27 | H273 | 111.3° | 109.4° |
| H272 | C27 | H273 | 99.1° | 109.5° |
| H31 | C3 | H32A | 110.7° | 109.5° |
| H31 | C3 | H33 | 110.7° | 109.4° |
| H32A | C3 | H33 | 99.7° | 109.5° |
| H61 | C6 | H62 | 109.6° | 109.5° |
| H61 | C6 | H63 | 109.7° | 109.5° |
| H62 | C6 | H63 | 100.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C9 | C8 | C10 | 119.4° | 119.8° |
| O3 | C9 | C8 | H9 | 120.2° | 120.2° |
| O3 | C9 | C10 | H9 | 120.1° | 120.2° |
| O3 | C9 | C8 | O1 | 177.9° | 178.8° |
| O3 | C9 | C8 | O2 | 65.6° | 58.8° |
| O3 | C9 | C8 | H8 | 56.4° | 61.1° |
| O3 | C9 | C10 | C11 | 174.2° | 173.7° |
| O3 | C9 | C10 | N1 | 53.3° | 66.6° |
| O3 | C9 | C10 | H10 | 60.9° | 53.9° |
| HO3 | O3 | C9 | C8 | 180.0° | 60.5° |
| HO3 | O3 | C9 | C10 | 60.8° | 179.9° |
| HO3 | O3 | C9 | H9 | 59.7° | 59.8° |
| C8 | C9 | C10 | H9 | 120.3° | 120.0° |
| C9 | C8 | O1 | O2 | 118.1° | 120.0° |
| C9 | C8 | O1 | H8 | 119.9° | 120.1° |
| C9 | C8 | O2 | H8 | 119.9° | 119.8° |
| C9 | C8 | O1 | C12 | 63.5° | 67.6° |
| C8 | C9 | C10 | C11 | 54.5° | 53.9° |
| C8 | C9 | C10 | N1 | 173.0° | 173.6° |
| C8 | C9 | C10 | H10 | 58.7° | 65.9° |
| C9 | C8 | O2 | C7 | 155.4° | 179.9° |
| C10 | C9 | C8 | O1 | 58.6° | 61.5° |
| C10 | C9 | C8 | O2 | 175.0° | 178.5° |
| C10 | C9 | C8 | H8 | 62.9° | 58.7° |
| C9 | C10 | C11 | C12 | 54.4° | 53.8° |
| C9 | C10 | C11 | N1 | 127.5° | 119.8° |
| C9 | C10 | C11 | H10 | 120.1° | 119.9° |
| C9 | C10 | C11 | H111 | 70.8° | 66.1° |
| C9 | C10 | C11 | H112 | 179.7° | 173.7° |
| C9 | C10 | N1 | H10 | 120.3° | 120.6° |
| C9 | C10 | N1 | C14 | 79.2° | 70.8° |
| C9 | C10 | N1 | C15 | 156.7° | 175.5° |
| H9 | C9 | C8 | O1 | 61.9° | 58.6° |
| H9 | C9 | C8 | O2 | 54.5° | 61.5° |
| H9 | C9 | C8 | H8 | 176.6° | 178.7° |
| H9 | C9 | C10 | C11 | 65.7° | 66.1° |
| H9 | C9 | C10 | N1 | 66.8° | 53.6° |
| H9 | C9 | C10 | H10 | 179.0° | 174.0° |
| O1 | C8 | O2 | H8 | 121.4° | 119.9° |
| C8 | O1 | C12 | C13 | 176.0° | 172.4° |
| C8 | O1 | C12 | C11 | 62.8° | 67.6° |
| C8 | O1 | C12 | H12 | 55.4° | 52.6° |
| O1 | C8 | O2 | C7 | 85.8° | 59.8° |
| O2 | C8 | O1 | C12 | 178.4° | 172.4° |
| C8 | O2 | C7 | C5 | 112.5° | 90.0° |
| C8 | O2 | C7 | C16 | 121.9° | 143.0° |
| C8 | O2 | C7 | H7 | 4.7° | 26.3° |
| H8 | C8 | O1 | C12 | 56.4° | 52.5° |
| H8 | C8 | O2 | C7 | 35.5° | 60.1° |
| O1 | C12 | C13 | C11 | 119.4° | 120.3° |
| O1 | C12 | C13 | H12 | 122.2° | 119.8° |
| O1 | C12 | C11 | H12 | 122.2° | 120.1° |
| O1 | C12 | C13 | H131 | 180.0° | 60.0° |
| O1 | C12 | C13 | H132 | 54.7° | 180.0° |
| O1 | C12 | C13 | H133 | 54.7° | 60.0° |
| O1 | C12 | C11 | C10 | 56.8° | 61.3° |
| O1 | C12 | C11 | H111 | 68.4° | 58.6° |
| O1 | C12 | C11 | H112 | 177.9° | 178.9° |
| C13 | C12 | C11 | H12 | 120.6° | 119.9° |
| C12 | C13 | H131 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H133 | 125.3° | 120.1° |
| C12 | C13 | H132 | H133 | 119.6° | 120.0° |
| C13 | C12 | C11 | C10 | 173.9° | 178.7° |
| C13 | C12 | C11 | H111 | 48.7° | 61.4° |
| C13 | C12 | C11 | H112 | 60.8° | 58.9° |
| C11 | C12 | C13 | H131 | 60.5° | 179.7° |
| C11 | C12 | C13 | H132 | 64.7° | 59.7° |
| C11 | C12 | C13 | H133 | 174.2° | 60.3° |
| C12 | C11 | C10 | H111 | 125.2° | 119.9° |
| C12 | C11 | C10 | H112 | 125.3° | 119.8° |
| C12 | C11 | H111 | H112 | 118.2° | 120.2° |
| C12 | C11 | C10 | N1 | 178.1° | 173.6° |
| C12 | C11 | C10 | H10 | 65.7° | 66.1° |
| H12 | C12 | C13 | H131 | 57.8° | 59.8° |
| H12 | C12 | C13 | H132 | 177.0° | 60.2° |
| H12 | C12 | C13 | H133 | 67.5° | 179.8° |
| H12 | C12 | C11 | C10 | 65.5° | 58.8° |
| H12 | C12 | C11 | H111 | 169.3° | 178.7° |
| H12 | C12 | C11 | H112 | 59.8° | 61.0° |
| H131 | C13 | H132 | H133 | 119.5° | 120.0° |
| C10 | C11 | H111 | H112 | 118.2° | 120.2° |
| C11 | C10 | N1 | H10 | 111.7° | 120.3° |
| C11 | C10 | N1 | C14 | 48.8° | 48.3° |
| C11 | C10 | N1 | C15 | 75.2° | 65.4° |
| H111 | C11 | C10 | N1 | 56.6° | 53.7° |
| H111 | C11 | C10 | H10 | 169.1° | 174.0° |
| H112 | C11 | C10 | N1 | 52.8° | 66.6° |
| H112 | C11 | C10 | H10 | 59.6° | 53.8° |
| C10 | N1 | C14 | C15 | 127.8° | 113.7° |
| C10 | N1 | C14 | H141 | 180.0° | 172.2° |
| C10 | N1 | C14 | H142 | 54.8° | 52.1° |
| C10 | N1 | C14 | H143 | 54.8° | 67.8° |
| C10 | N1 | C15 | H151 | 180.0° | 177.1° |
| C10 | N1 | C15 | H152 | 54.8° | 62.9° |
| C10 | N1 | C15 | H153 | 54.8° | 57.1° |
| H10 | C10 | N1 | C14 | 160.5° | 168.7° |
| H10 | C10 | N1 | C15 | 36.5° | 54.9° |
| N1 | C14 | H141 | H142 | 125.3° | 120.0° |
| N1 | C14 | H141 | H143 | 125.3° | 120.0° |
| N1 | C14 | H142 | H143 | 116.8° | 120.0° |
| C14 | N1 | C15 | H151 | 53.0° | 69.2° |
| C14 | N1 | C15 | H152 | 72.2° | 50.9° |
| C14 | N1 | C15 | H153 | 178.3° | 170.9° |
| C15 | N1 | C14 | H141 | 52.2° | 74.1° |
| C15 | N1 | C14 | H142 | 177.4° | 165.9° |
| C15 | N1 | C14 | H143 | 73.0° | 45.9° |
| N1 | C15 | H151 | H152 | 125.2° | 120.0° |
| N1 | C15 | H151 | H153 | 125.3° | 120.0° |
| N1 | C15 | H152 | H153 | 116.2° | 120.0° |
| H141 | C14 | H142 | H143 | 116.6° | 120.0° |
| H151 | C15 | H152 | H153 | 116.1° | 120.0° |
| O2 | C7 | C5 | C16 | 122.5° | 123.0° |
| O2 | C7 | C5 | H7 | 120.6° | 115.7° |
| O2 | C7 | C16 | H7 | 120.6° | 116.0° |
| O2 | C7 | C5 | C4 | 111.8° | 104.9° |
| O2 | C7 | C5 | C6 | 13.1° | 12.2° |
| O2 | C7 | C5 | H5 | 128.8° | 134.2° |
| O2 | C7 | C16 | C18 | 72.0° | 136.0° |
| O2 | C7 | C16 | O8 | 175.1° | 21.4° |
| O2 | C7 | C16 | C17 | 54.4° | 94.4° |
| C5 | C7 | C16 | H7 | 116.8° | 121.1° |
| C7 | C5 | C4 | C6 | 129.4° | 117.9° |
| C7 | C5 | C4 | H5 | 113.8° | 124.2° |
| C7 | C5 | C6 | H5 | 113.1° | 124.9° |
| C7 | C5 | C4 | O10 | 38.2° | 47.8° |
| C7 | C5 | C4 | C2 | 148.0° | 132.3° |
| C5 | C7 | C16 | C18 | 50.5° | 101.1° |
| C5 | C7 | C16 | O8 | 62.4° | 144.3° |
| C5 | C7 | C16 | C17 | 177.0° | 28.5° |
| C7 | C5 | C6 | H61 | 180.0° | 177.7° |
| C7 | C5 | C6 | H62 | 54.7° | 62.3° |
| C7 | C5 | C6 | H63 | 54.7° | 57.7° |
| C16 | C7 | C5 | C4 | 125.7° | 132.1° |
| C16 | C7 | C5 | C6 | 109.4° | 110.8° |
| C16 | C7 | C5 | H5 | 6.3° | 11.2° |
| C7 | C16 | C18 | C19 | 172.3° | 101.8° |
| C7 | C16 | C18 | O8 | 111.9° | 114.6° |
| C7 | C16 | C18 | C17 | 127.5° | 129.8° |
| C7 | C16 | C18 | H181 | 47.1° | 21.5° |
| C7 | C16 | C18 | H182 | 62.4° | 136.4° |
| C7 | C16 | O8 | C17 | 121.4° | 121.4° |
| C7 | C16 | O8 | C28 | 80.5° | 174.4° |
| C7 | C16 | C17 | H171 | 180.0° | 169.3° |
| C7 | C16 | C17 | H172 | 54.7° | 70.7° |
| C7 | C16 | C17 | H173 | 54.8° | 49.4° |
| H7 | C7 | C5 | C4 | 8.8° | 10.8° |
| H7 | C7 | C5 | C6 | 133.7° | 127.9° |
| H7 | C7 | C5 | H5 | 110.6° | 110.1° |
| H7 | C7 | C16 | C18 | 167.4° | 20.1° |
| H7 | C7 | C16 | O8 | 54.5° | 94.6° |
| H7 | C7 | C16 | C17 | 66.2° | 149.6° |
| C4 | C5 | C6 | H5 | 120.0° | 117.4° |
| C5 | C4 | O10 | C2 | 173.6° | 179.9° |
| C5 | C4 | C2 | C1 | 76.1° | 115.9° |
| C5 | C4 | C2 | C3 | 163.6° | 124.6° |
| C5 | C4 | C2 | H2 | 45.0° | 4.7° |
| C4 | C5 | C6 | H61 | 53.1° | 60.0° |
| C4 | C5 | C6 | H62 | 178.3° | 180.0° |
| C4 | C5 | C6 | H63 | 72.2° | 60.0° |
| C6 | C5 | C4 | O10 | 91.2° | 70.1° |
| C6 | C5 | C4 | C2 | 82.6° | 109.8° |
| C5 | C6 | H61 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H63 | 125.3° | 120.0° |
| C5 | C6 | H62 | H63 | 115.5° | 120.0° |
| H5 | C5 | C4 | O10 | 151.9° | 172.0° |
| H5 | C5 | C4 | C2 | 34.2° | 8.1° |
| H5 | C5 | C6 | H61 | 66.8° | 57.4° |
| H5 | C5 | C6 | H62 | 58.4° | 62.6° |
| H5 | C5 | C6 | H63 | 167.8° | 177.4° |
| O10 | C4 | C2 | C1 | 110.0° | 64.2° |
| O10 | C4 | C2 | C3 | 10.3° | 55.3° |
| O10 | C4 | C2 | H2 | 128.9° | 175.2° |
| C4 | C2 | C1 | C3 | 124.3° | 119.7° |
| C4 | C2 | C1 | H2 | 116.8° | 121.1° |
| C4 | C2 | C3 | H2 | 116.7° | 120.6° |
| C4 | C2 | C1 | O5 | 69.9° | 46.9° |
| C4 | C2 | C1 | O4 | 112.1° | 132.9° |
| C4 | C2 | C3 | H31 | 180.0° | 179.9° |
| C4 | C2 | C3 | H32A | 54.7° | 59.9° |
| C4 | C2 | C3 | H33 | 54.7° | 60.1° |
| C1 | C2 | C3 | H2 | 121.3° | 119.3° |
| C2 | C1 | O5 | O4 | 177.8° | 179.8° |
| C2 | C1 | O4 | C25 | 168.6° | 176.0° |
| C1 | C2 | C3 | H31 | 58.0° | 60.0° |
| C1 | C2 | C3 | H32A | 176.8° | 180.0° |
| C1 | C2 | C3 | H33 | 67.4° | 60.0° |
| C3 | C2 | C1 | O5 | 54.4° | 72.8° |
| C3 | C2 | C1 | O4 | 123.6° | 107.4° |
| C2 | C3 | H31 | H32A | 125.2° | 120.0° |
| C2 | C3 | H31 | H33 | 125.3° | 120.0° |
| C2 | C3 | H32A | H33 | 116.4° | 120.0° |
| H2 | C2 | C1 | O5 | 173.3° | 168.0° |
| H2 | C2 | C1 | O4 | 4.7° | 11.8° |
| H2 | C2 | C3 | H31 | 63.3° | 59.4° |
| H2 | C2 | C3 | H32A | 61.9° | 60.7° |
| H2 | C2 | C3 | H33 | 171.4° | 179.3° |
| O5 | C1 | O4 | C25 | 9.4° | 3.8° |
| C1 | O4 | C25 | C42 | 94.9° | 93.9° |
| C1 | O4 | C25 | C26 | 137.4° | 146.4° |
| C1 | O4 | C25 | H25 | 21.5° | 26.8° |
| O4 | C25 | C42 | C26 | 119.6° | 120.1° |
| O4 | C25 | C42 | H25 | 124.9° | 120.9° |
| O4 | C25 | C26 | H25 | 124.9° | 120.5° |
| O4 | C25 | C42 | C43 | 38.1° | 60.8° |
| O4 | C25 | C42 | H421 | 87.1° | 59.1° |
| O4 | C25 | C42 | H422 | 163.3° | 179.1° |
| O4 | C25 | C26 | O7 | 179.8° | 146.7° |
| O4 | C25 | C26 | C23 | 69.6° | 100.1° |
| O4 | C25 | C26 | C27 | 59.6° | 28.2° |
| C42 | C25 | C26 | H25 | 115.8° | 119.5° |
| C25 | C42 | C43 | H421 | 125.2° | 119.9° |
| C25 | C42 | C43 | H422 | 125.2° | 120.1° |
| C25 | C42 | H421 | H422 | 114.3° | 120.0° |
| C25 | C42 | C43 | H431 | 180.0° | 180.0° |
| C25 | C42 | C43 | H432 | 54.7° | 59.9° |
| C25 | C42 | C43 | H433 | 54.7° | 60.1° |
| C42 | C25 | C26 | O7 | 60.5° | 26.7° |
| C42 | C25 | C26 | C23 | 171.1° | 140.0° |
| C42 | C25 | C26 | C27 | 59.7° | 91.8° |
| C26 | C25 | C42 | C43 | 81.6° | 179.0° |
| C26 | C25 | C42 | H421 | 153.2° | 61.0° |
| C26 | C25 | C42 | H422 | 43.7° | 58.9° |
| C25 | C26 | O7 | C23 | 115.0° | 117.3° |
| C25 | C26 | O7 | C27 | 121.5° | 119.2° |
| C25 | C26 | C23 | C27 | 127.2° | 124.9° |
| C25 | C26 | O7 | C24 | 93.8° | 118.5° |
| C25 | C26 | C23 | N2 | 89.6° | 115.4° |
| C25 | C26 | C23 | C22 | 150.5° | 120.6° |
| C25 | C26 | C23 | H23 | 36.4° | 1.6° |
| C25 | C26 | C27 | H271 | 180.0° | 65.6° |
| C25 | C26 | C27 | H272 | 54.8° | 174.5° |
| C25 | C26 | C27 | H273 | 54.7° | 54.4° |
| H25 | C25 | C42 | C43 | 163.0° | 60.1° |
| H25 | C25 | C42 | H421 | 37.8° | 180.0° |
| H25 | C25 | C42 | H422 | 71.8° | 60.0° |
| H25 | C25 | C26 | O7 | 55.3° | 92.8° |
| H25 | C25 | C26 | C23 | 55.2° | 20.4° |
| H25 | C25 | C26 | C27 | 175.5° | 148.7° |
| C43 | C42 | H421 | H422 | 114.3° | 120.0° |
| C42 | C43 | H431 | H432 | 125.3° | 120.1° |
| C42 | C43 | H431 | H433 | 125.3° | 119.9° |
| C42 | C43 | H432 | H433 | 114.2° | 120.0° |
| H421 | C42 | C43 | H431 | 54.8° | 60.1° |
| H421 | C42 | C43 | H432 | 179.9° | 60.0° |
| H421 | C42 | C43 | H433 | 70.5° | 180.0° |
| H422 | C42 | C43 | H431 | 54.8° | 59.9° |
| H422 | C42 | C43 | H432 | 70.5° | 180.0° |
| H422 | C42 | C43 | H433 | 179.9° | 60.0° |
| H431 | C43 | H432 | H433 | 114.2° | 119.9° |
| O7 | C26 | C23 | C27 | 119.5° | 118.8° |
| C26 | O7 | C24 | O6 | 173.1° | 176.9° |
| C26 | O7 | C24 | N2 | 8.2° | 3.1° |
| O7 | C26 | C23 | N2 | 23.7° | 0.9° |
| O7 | C26 | C23 | C22 | 96.2° | 123.1° |
| O7 | C26 | C23 | H23 | 149.7° | 114.7° |
| O7 | C26 | C27 | H271 | 61.5° | 53.1° |
| O7 | C26 | C27 | H272 | 173.3° | 66.9° |
| O7 | C26 | C27 | H273 | 63.8° | 173.0° |
| C23 | C26 | O7 | C24 | 21.2° | 1.1° |
| C26 | C23 | N2 | C24 | 22.0° | 2.7° |
| C26 | C23 | N2 | C22 | 124.5° | 127.4° |
| C26 | C23 | N2 | H23 | 121.6° | 114.6° |
| C26 | C23 | N2 | HN2 | 158.0° | 174.7° |
| C26 | C23 | C22 | H23 | 122.2° | 122.5° |
| C26 | C23 | C22 | C21 | 178.3° | 120.7° |
| C26 | C23 | C22 | C41 | 65.7° | 121.8° |
| C26 | C23 | C22 | H22 | 54.0° | 1.4° |
| C23 | C26 | C27 | H271 | 54.1° | 169.2° |
| C23 | C26 | C27 | H272 | 71.1° | 49.2° |
| C23 | C26 | C27 | H273 | 179.4° | 70.8° |
| C27 | C26 | O7 | C24 | 144.7° | 122.3° |
| C27 | C26 | C23 | N2 | 143.3° | 119.7° |
| C27 | C26 | C23 | C22 | 23.4° | 4.4° |
| C27 | C26 | C23 | H23 | 90.7° | 126.6° |
| C26 | C27 | H271 | H272 | 125.2° | 120.0° |
| C26 | C27 | H271 | H273 | 125.3° | 120.0° |
| C26 | C27 | H272 | H273 | 117.3° | 120.0° |
| O7 | C24 | O6 | N2 | 178.3° | 180.0° |
| O7 | C24 | N2 | C23 | 10.6° | 3.7° |
| O7 | C24 | N2 | HN2 | 169.4° | 173.8° |
| O6 | C24 | N2 | C23 | 167.9° | 176.3° |
| O6 | C24 | N2 | HN2 | 12.1° | 6.2° |
| C24 | N2 | C23 | HN2 | 180.0° | 177.4° |
| C24 | N2 | C23 | C22 | 102.5° | 124.7° |
| C24 | N2 | C23 | H23 | 143.6° | 117.3° |
| N2 | C23 | C22 | H23 | 126.3° | 117.5° |
| N2 | C23 | C22 | C21 | 70.2° | 119.3° |
| N2 | C23 | C22 | C41 | 45.8° | 1.8° |
| N2 | C23 | C22 | H22 | 165.6° | 118.6° |
| HN2 | N2 | C23 | C22 | 77.5° | 57.9° |
| HN2 | N2 | C23 | H23 | 36.4° | 60.1° |
| C23 | C22 | C21 | C41 | 123.1° | 118.9° |
| C23 | C22 | C21 | H22 | 117.4° | 125.7° |
| C23 | C22 | C41 | H22 | 117.5° | 125.0° |
| C23 | C22 | C21 | O9 | 61.0° | 68.9° |
| C23 | C22 | C21 | C19 | 122.6° | 110.5° |
| C23 | C22 | C41 | H411 | 180.0° | 178.6° |
| C23 | C22 | C41 | H412 | 54.8° | 61.4° |
| C23 | C22 | C41 | H413 | 54.8° | 58.6° |
| H23 | C23 | C22 | C21 | 56.2° | 1.7° |
| H23 | C23 | C22 | C41 | 172.1° | 115.7° |
| H23 | C23 | C22 | H22 | 68.1° | 123.9° |
| C21 | C22 | C41 | H22 | 124.2° | 116.4° |
| C22 | C21 | O9 | C19 | 176.3° | 179.4° |
| C22 | C21 | C19 | C20 | 61.1° | 41.2° |
| C22 | C21 | C19 | C18 | 64.4° | 162.8° |
| C22 | C21 | C19 | H19 | 179.3° | 77.2° |
| C21 | C22 | C41 | H411 | 61.7° | 60.0° |
| C21 | C22 | C41 | H412 | 173.1° | 180.0° |
| C21 | C22 | C41 | H413 | 63.5° | 60.0° |
| C41 | C22 | C21 | O9 | 62.1° | 50.0° |
| C41 | C22 | C21 | C19 | 114.4° | 130.6° |
| C22 | C41 | H411 | H412 | 125.2° | 120.0° |
| C22 | C41 | H411 | H413 | 125.2° | 120.1° |
| C22 | C41 | H412 | H413 | 116.0° | 120.1° |
| H22 | C22 | C21 | O9 | 178.4° | 165.3° |
| H22 | C22 | C21 | C19 | 5.1° | 15.3° |
| H22 | C22 | C41 | H411 | 62.5° | 56.4° |
| H22 | C22 | C41 | H412 | 62.7° | 63.6° |
| H22 | C22 | C41 | H413 | 172.3° | 176.4° |
| O9 | C21 | C19 | C20 | 115.6° | 138.2° |
| O9 | C21 | C19 | C18 | 118.9° | 16.5° |
| O9 | C21 | C19 | H19 | 4.0° | 103.4° |
| C21 | C19 | C20 | C18 | 130.0° | 119.7° |
| C21 | C19 | C20 | H19 | 114.0° | 117.4° |
| C21 | C19 | C18 | H19 | 113.1° | 118.5° |
| C21 | C19 | C20 | H201 | 180.0° | 58.7° |
| C21 | C19 | C20 | H202 | 54.7° | 61.2° |
| C21 | C19 | C20 | H203 | 54.8° | 178.8° |
| C21 | C19 | C18 | C16 | 68.3° | 174.9° |
| C21 | C19 | C18 | H181 | 57.0° | 51.7° |
| C21 | C19 | C18 | H182 | 166.4° | 63.1° |
| C20 | C19 | C18 | H19 | 120.0° | 122.4° |
| C19 | C20 | H201 | H202 | 125.3° | 119.9° |
| C19 | C20 | H201 | H203 | 125.2° | 120.0° |
| C19 | C20 | H202 | H203 | 117.4° | 120.0° |
| C20 | C19 | C18 | C16 | 164.8° | 55.8° |
| C20 | C19 | C18 | H181 | 69.9° | 67.4° |
| C20 | C19 | C18 | H182 | 39.5° | 177.7° |
| C18 | C19 | C20 | H201 | 50.0° | 61.0° |
| C18 | C19 | C20 | H202 | 75.2° | 179.1° |
| C18 | C19 | C20 | H203 | 175.3° | 59.1° |
| C19 | C18 | C16 | H181 | 125.3° | 123.3° |
| C19 | C18 | C16 | H182 | 125.2° | 121.9° |
| C19 | C18 | H181 | H182 | 116.3° | 116.1° |
| C19 | C18 | C16 | O8 | 60.5° | 143.6° |
| C19 | C18 | C16 | C17 | 60.2° | 28.0° |
| H19 | C19 | C20 | H201 | 66.0° | 176.2° |
| H19 | C19 | C20 | H202 | 168.7° | 56.2° |
| H19 | C19 | C20 | H203 | 59.2° | 63.8° |
| H19 | C19 | C18 | C16 | 44.8° | 66.6° |
| H19 | C19 | C18 | H181 | 170.1° | 170.2° |
| H19 | C19 | C18 | H182 | 80.4° | 55.3° |
| H201 | C20 | H202 | H203 | 117.4° | 120.0° |
| C16 | C18 | H181 | H182 | 116.4° | 116.1° |
| C18 | C16 | O8 | C17 | 120.0° | 120.8° |
| C18 | C16 | O8 | C28 | 160.9° | 67.8° |
| C18 | C16 | C17 | H171 | 52.3° | 41.2° |
| C18 | C16 | C17 | H172 | 177.6° | 161.2° |
| C18 | C16 | C17 | H173 | 72.9° | 78.7° |
| H181 | C18 | C16 | O8 | 64.8° | 93.1° |
| H181 | C18 | C16 | C17 | 174.6° | 151.3° |
| H182 | C18 | C16 | O8 | 174.3° | 21.7° |
| H182 | C18 | C16 | C17 | 65.1° | 93.9° |
| C16 | O8 | C28 | C29 | 151.9° | 174.5° |
| C16 | O8 | C28 | H281 | 82.8° | 54.6° |
| C16 | O8 | C28 | H282 | 26.6° | 65.4° |
| O8 | C16 | C17 | H171 | 64.3° | 74.6° |
| O8 | C16 | C17 | H172 | 61.0° | 45.4° |
| O8 | C16 | C17 | H173 | 170.5° | 165.4° |
| C17 | C16 | O8 | C28 | 40.9° | 53.0° |
| C16 | C17 | H171 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H173 | 125.2° | 120.0° |
| C16 | C17 | H172 | H173 | 116.9° | 120.0° |
| O8 | C28 | C29 | H281 | 125.2° | 119.9° |
| O8 | C28 | C29 | H282 | 125.2° | 120.1° |
| O8 | C28 | H281 | H282 | 116.1° | 120.1° |
| O8 | C28 | C29 | C30 | 119.9° | 120.0° |
| O8 | C28 | C29 | H29 | 60.1° | 60.1° |
| C29 | C28 | H281 | H282 | 116.3° | 120.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 179.0° | 179.9° |
| C28 | C29 | C30 | H30 | 1.0° | 0.0° |
| H281 | C28 | C29 | C30 | 114.8° | 0.1° |
| H281 | C28 | C29 | H29 | 65.2° | 180.0° |
| H282 | C28 | C29 | C30 | 5.3° | 119.9° |
| H282 | C28 | C29 | H29 | 174.7° | 60.0° |
| C29 | C30 | C31 | H30 | 179.9° | 180.0° |
| C29 | C30 | C31 | C32 | 16.9° | 179.7° |
| C29 | C30 | C31 | C40 | 167.8° | 0.0° |
| H29 | C29 | C30 | C31 | 1.0° | 0.0° |
| H29 | C29 | C30 | H30 | 179.0° | 179.9° |
| C30 | C31 | C32 | C40 | 175.4° | 179.7° |
| C30 | C31 | C32 | C33 | 173.4° | 179.8° |
| C30 | C31 | C32 | H32 | 6.6° | 0.0° |
| C30 | C31 | C40 | N3 | 176.6° | 180.0° |
| C30 | C31 | C40 | H40 | 3.4° | 0.1° |
| H30 | C30 | C31 | C32 | 163.2° | 0.3° |
| H30 | C30 | C31 | C40 | 12.1° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.8° |
| C31 | C32 | C33 | C38 | 3.8° | 0.5° |
| C31 | C32 | C33 | C34 | 176.9° | 179.8° |
| C32 | C31 | C40 | N3 | 1.0° | 0.3° |
| C32 | C31 | C40 | H40 | 179.0° | 179.8° |
| C40 | C31 | C32 | C33 | 2.0° | 0.5° |
| C40 | C31 | C32 | H32 | 178.0° | 179.7° |
| C31 | C40 | N3 | C38 | 1.9° | 0.0° |
| C31 | C40 | N3 | H40 | 180.0° | 180.0° |
| C32 | C33 | C38 | C34 | 179.3° | 179.7° |
| C32 | C33 | C38 | N3 | 3.0° | 0.3° |
| C32 | C33 | C38 | C37 | 179.0° | 179.7° |
| C32 | C33 | C34 | C35 | 179.8° | 179.7° |
| C32 | C33 | C34 | H34 | 0.1° | 0.3° |
| H32 | C32 | C33 | C38 | 176.1° | 179.7° |
| H32 | C32 | C33 | C34 | 3.1° | 0.0° |
| C33 | C38 | N3 | C37 | 176.1° | 180.0° |
| C33 | C38 | N3 | C40 | 0.2° | 0.0° |
| C33 | C38 | C37 | C36 | 2.8° | 0.0° |
| C33 | C38 | C37 | H37 | 177.3° | 179.9° |
| C38 | C33 | C34 | C35 | 0.6° | 0.0° |
| C38 | C33 | C34 | H34 | 179.4° | 180.0° |
| C34 | C33 | C38 | N3 | 177.8° | 180.0° |
| C34 | C33 | C38 | C37 | 1.7° | 0.0° |
| C33 | C34 | C35 | C36 | 0.6° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 179.4° | 180.0° |
| C38 | N3 | C40 | H40 | 178.1° | 180.0° |
| N3 | C38 | C37 | C36 | 179.1° | 180.0° |
| N3 | C38 | C37 | H37 | 1.0° | 0.1° |
| C37 | C38 | N3 | C40 | 176.3° | 180.0° |
| C38 | C37 | C36 | H37 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 2.8° | 0.0° |
| C38 | C37 | C36 | H36 | 177.2° | 180.0° |
| C37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 1.7° | 0.0° |
| C37 | C36 | C35 | H35 | 178.3° | 180.0° |
| H37 | C37 | C36 | C35 | 177.3° | 179.9° |
| H37 | C37 | C36 | H36 | 2.8° | 0.1° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | H34 | 179.4° | 180.0° |
| H36 | C36 | C35 | C34 | 178.3° | 180.0° |
| H36 | C36 | C35 | H35 | 1.7° | 0.0° |
| H35 | C35 | C34 | H34 | 0.6° | 0.0° |
| H171 | C17 | H172 | H173 | 116.8° | 120.0° |
| H411 | C41 | H412 | H413 | 115.9° | 119.9° |
| H271 | C27 | H272 | H273 | 117.2° | 120.0° |
| H31 | C3 | H32A | H33 | 116.5° | 120.0° |
| H61 | C6 | H62 | H63 | 115.5° | 120.0° |
