TXL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.64Å | |
| C1 | C14 | sing | 1.52Å | 1.43Å | |
| C1 | C15 | sing | 1.52Å | 1.60Å | |
| C1 | O1 | sing | 1.44Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.47Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.51Å | 1.64Å | |
| C3 | C8 | sing | 1.49Å | 1.38Å | |
| C3 | H3 | sing | 1.10Å | 1.12Å | |
| C4 | C5 | sing | 1.52Å | 1.50Å | |
| C4 | C20 | sing | 1.54Å | 1.67Å | |
| C4 | O3 | sing | 1.46Å | 1.26Å | |
| C5 | C6 | sing | 1.52Å | 1.47Å | |
| C5 | O4 | sing | 1.43Å | 1.56Å | |
| C5 | H5 | sing | 1.10Å | 1.11Å | |
| C6 | C7 | sing | 1.52Å | 1.63Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | O5 | sing | 1.42Å | 1.32Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.51Å | 1.67Å | |
| C8 | C19 | sing | 1.52Å | 1.55Å | |
| C9 | C10 | sing | 1.52Å | 1.60Å | |
| C9 | O6 | doub | 1.22Å | 1.08Å | |
| C10 | C11 | sing | 1.50Å | 1.34Å | |
| C10 | O7 | sing | 1.42Å | 1.46Å | |
| C10 | H10 | sing | 1.12Å | 1.12Å | |
| C11 | C12 | doub | 1.33Å | 1.26Å | |
| C11 | C15 | sing | 1.49Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.37Å | |
| C12 | C18 | sing | 1.52Å | 1.51Å | |
| C13 | C14 | sing | 1.52Å | 1.66Å | |
| C13 | O8 | sing | 1.46Å | 1.36Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.10Å | 1.11Å | |
| C15 | C16 | sing | 1.54Å | 1.40Å | |
| C15 | C17 | sing | 1.52Å | 1.62Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | O4 | sing | 1.44Å | 1.38Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.10Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | C35 | sing | 1.35Å | 1.41Å | |
| O3 | C42 | sing | 1.34Å | 1.40Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | C21 | sing | 1.34Å | 1.40Å | |
| C21 | O9 | doub | 1.21Å | 1.25Å | |
| C21 | C22 | sing | 1.51Å | 1.43Å | |
| C22 | O10 | sing | 1.43Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H22 | sing | 1.09Å | 1.12Å | |
| O10 | HO0 | sing | 0.97Å | 0.95Å | |
| C23 | C24 | sing | 1.51Å | 1.46Å | |
| C23 | N1 | sing | 1.46Å | 1.39Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.38Å | 1.27Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.36Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.35Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.34Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.28Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.34Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| N1 | C30 | sing | 1.35Å | 1.44Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C30 | O11 | doub | 1.21Å | 1.29Å | |
| C30 | O12 | sing | 1.35Å | 1.26Å | |
| O12 | C31 | sing | 1.45Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.45Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | C34 | sing | 1.53Å | 1.43Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C32 | H323 | sing | 1.09Å | 1.11Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C33 | H333 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C34 | H343 | sing | 1.09Å | 1.12Å | |
| C35 | O13 | doub | 1.21Å | 1.15Å | |
| C35 | C36 | sing | 1.48Å | 1.42Å | |
| C36 | C37 | doub | 1.40Å | 1.26Å | Aromatic |
| C36 | C41 | sing | 1.40Å | 1.53Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | doub | 1.38Å | 1.32Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | sing | 1.38Å | 1.28Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.46Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | O14 | doub | 1.21Å | 1.17Å | |
| C42 | C43 | sing | 1.51Å | 1.30Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C14 | 107.5° | 112.1° |
| C2 | C1 | C15 | 123.9° | 113.2° |
| C2 | C1 | O1 | 100.6° | 106.6° |
| C1 | C2 | C3 | 113.7° | 112.9° |
| C1 | C2 | O2 | 116.0° | 105.9° |
| C1 | C2 | H2 | 100.1° | 109.7° |
| C14 | C1 | C15 | 103.7° | 111.4° |
| C14 | C1 | O1 | 110.9° | 106.7° |
| C1 | C14 | C13 | 116.1° | 114.4° |
| C1 | C14 | H141 | 109.8° | 110.0° |
| C1 | C14 | H142 | 109.8° | 107.8° |
| C15 | C1 | O1 | 110.1° | 106.3° |
| C1 | C15 | C11 | 107.0° | 106.8° |
| C1 | C15 | C16 | 101.4° | 109.6° |
| C1 | C15 | C17 | 122.2° | 109.1° |
| C1 | O1 | HO1 | 100.6° | 106.8° |
| C3 | C2 | O2 | 104.3° | 108.6° |
| C3 | C2 | H2 | 112.7° | 114.7° |
| C2 | C3 | C4 | 110.5° | 111.3° |
| C2 | C3 | C8 | 115.6° | 118.5° |
| C2 | C3 | H3 | 104.5° | 102.9° |
| O2 | C2 | H2 | 110.3° | 104.2° |
| C2 | O2 | C35 | 125.4° | 120.0° |
| C4 | C3 | C8 | 109.8° | 117.8° |
| C4 | C3 | H3 | 111.0° | 99.8° |
| C3 | C4 | C5 | 123.7° | 119.9° |
| C3 | C4 | C20 | 126.2° | 113.1° |
| C3 | C4 | O3 | 108.3° | 111.2° |
| C8 | C3 | H3 | 105.2° | 102.8° |
| C3 | C8 | C7 | 105.4° | 114.1° |
| C3 | C8 | C9 | 114.9° | 115.5° |
| C3 | C8 | C19 | 105.7° | 111.2° |
| C5 | C4 | C20 | 82.4° | 87.4° |
| C5 | C4 | O3 | 107.1° | 110.9° |
| C4 | C5 | C6 | 112.4° | 115.3° |
| C4 | C5 | O4 | 93.4° | 89.1° |
| C4 | C5 | H5 | 123.0° | 112.1° |
| C20 | C4 | O3 | 105.8° | 112.5° |
| C4 | C20 | O4 | 93.4° | 88.0° |
| C4 | C20 | H201 | 118.5° | 114.3° |
| C4 | C20 | H202 | 118.5° | 113.5° |
| C4 | O3 | C42 | 115.5° | 120.0° |
| C6 | C5 | O4 | 122.1° | 115.5° |
| C6 | C5 | H5 | 94.8° | 111.2° |
| C5 | C6 | C7 | 118.8° | 109.1° |
| C5 | C6 | H61 | 108.9° | 109.4° |
| C5 | C6 | H62 | 108.9° | 109.5° |
| O4 | C5 | H5 | 113.5° | 112.2° |
| C5 | O4 | C20 | 90.1° | 95.4° |
| C7 | C6 | H61 | 108.9° | 109.8° |
| C7 | C6 | H62 | 108.8° | 110.2° |
| C6 | C7 | C8 | 108.8° | 109.7° |
| C6 | C7 | O5 | 115.3° | 111.7° |
| C6 | C7 | H7 | 107.5° | 109.6° |
| H61 | C6 | H62 | 101.2° | 108.7° |
| C8 | C7 | O5 | 113.4° | 109.4° |
| C8 | C7 | H7 | 109.5° | 107.2° |
| C7 | C8 | C9 | 101.0° | 107.4° |
| C7 | C8 | C19 | 113.1° | 101.0° |
| O5 | C7 | H7 | 102.0° | 109.2° |
| C7 | O5 | HO5 | 115.3° | 106.8° |
| C9 | C8 | C19 | 116.5° | 106.5° |
| C8 | C9 | C10 | 132.0° | 120.9° |
| C8 | C9 | O6 | 114.7° | 119.4° |
| C8 | C19 | H191 | 105.7° | 109.4° |
| C8 | C19 | H192 | 113.6° | 109.5° |
| C8 | C19 | H193 | 113.6° | 109.5° |
| C10 | C9 | O6 | 112.8° | 119.6° |
| C9 | C10 | C11 | 107.5° | 105.7° |
| C9 | C10 | O7 | 121.5° | 112.5° |
| C9 | C10 | H10 | 101.2° | 107.9° |
| C11 | C10 | O7 | 105.5° | 116.4° |
| C11 | C10 | H10 | 118.5° | 108.7° |
| C10 | C11 | C12 | 114.0° | 118.4° |
| C10 | C11 | C15 | 121.4° | 125.3° |
| O7 | C10 | H10 | 103.4° | 105.4° |
| C10 | O7 | HO7 | 121.6° | 106.8° |
| C12 | C11 | C15 | 124.3° | 116.4° |
| C11 | C12 | C13 | 108.1° | 119.1° |
| C11 | C12 | C18 | 130.9° | 121.6° |
| C11 | C15 | C16 | 119.2° | 110.1° |
| C11 | C15 | C17 | 104.8° | 115.2° |
| C13 | C12 | C18 | 120.9° | 119.3° |
| C12 | C13 | C14 | 113.9° | 111.7° |
| C12 | C13 | O8 | 103.8° | 108.3° |
| C12 | C13 | H13 | 109.2° | 110.6° |
| C12 | C18 | H181 | 130.9° | 109.5° |
| C12 | C18 | H182 | 104.8° | 109.5° |
| C12 | C18 | H183 | 104.8° | 109.5° |
| C14 | C13 | O8 | 105.5° | 108.4° |
| C14 | C13 | H13 | 107.6° | 110.7° |
| C13 | C14 | H141 | 109.8° | 109.7° |
| C13 | C14 | H142 | 109.8° | 108.0° |
| O8 | C13 | H13 | 117.1° | 107.0° |
| C13 | O8 | C21 | 110.8° | 120.0° |
| H141 | C14 | H142 | 100.5° | 106.6° |
| C16 | C15 | C17 | 103.3° | 106.0° |
| C15 | C16 | H161 | 101.4° | 109.5° |
| C15 | C16 | H162 | 115.3° | 109.5° |
| C15 | C16 | H163 | 115.3° | 109.5° |
| C15 | C17 | H171 | 122.2° | 109.5° |
| C15 | C17 | H172 | 107.7° | 109.5° |
| C15 | C17 | H173 | 107.7° | 109.5° |
| H161 | C16 | H162 | 115.3° | 109.5° |
| H161 | C16 | H163 | 115.3° | 109.5° |
| H162 | C16 | H163 | 95.2° | 109.5° |
| H171 | C17 | H172 | 107.6° | 109.5° |
| H171 | C17 | H173 | 107.7° | 109.4° |
| H172 | C17 | H173 | 102.2° | 109.5° |
| H181 | C18 | H182 | 104.7° | 109.4° |
| H181 | C18 | H183 | 104.8° | 109.5° |
| H182 | C18 | H183 | 104.3° | 109.5° |
| H191 | C19 | H192 | 113.6° | 109.5° |
| H191 | C19 | H193 | 113.7° | 109.5° |
| H192 | C19 | H193 | 96.9° | 109.4° |
| O4 | C20 | H201 | 118.5° | 114.3° |
| O4 | C20 | H202 | 118.6° | 113.3° |
| H201 | C20 | H202 | 91.7° | 111.6° |
| O2 | C35 | O13 | 122.8° | 120.1° |
| O2 | C35 | C36 | 117.9° | 120.0° |
| O3 | C42 | O14 | 130.4° | 120.0° |
| O3 | C42 | C43 | 106.2° | 120.0° |
| O8 | C21 | O9 | 128.5° | 120.0° |
| O8 | C21 | C22 | 108.1° | 120.0° |
| O9 | C21 | C22 | 123.2° | 120.0° |
| C21 | C22 | O10 | 103.7° | 109.5° |
| C21 | C22 | C23 | 109.3° | 109.4° |
| C21 | C22 | H22 | 118.9° | 109.5° |
| O10 | C22 | C23 | 122.2° | 109.5° |
| O10 | C22 | H22 | 104.9° | 109.4° |
| C22 | O10 | HO0 | 103.8° | 106.8° |
| C23 | C22 | H22 | 98.8° | 109.5° |
| C22 | C23 | C24 | 103.9° | 109.5° |
| C22 | C23 | N1 | 105.1° | 109.6° |
| C22 | C23 | H23 | 119.5° | 109.5° |
| C24 | C23 | N1 | 119.1° | 109.4° |
| C24 | C23 | H23 | 105.7° | 109.4° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C23 | C24 | C29 | 122.4° | 120.0° |
| N1 | C23 | H23 | 104.5° | 109.5° |
| C23 | N1 | C30 | 116.2° | 120.1° |
| C23 | N1 | HN1 | 120.4° | 119.9° |
| C25 | C24 | C29 | 117.6° | 120.0° |
| C24 | C25 | C26 | 119.4° | 120.0° |
| C24 | C25 | H25 | 117.3° | 120.0° |
| C24 | C29 | C28 | 122.8° | 120.0° |
| C24 | C29 | H29 | 119.6° | 120.0° |
| C26 | C25 | H25 | 123.3° | 119.9° |
| C25 | C26 | C27 | 123.2° | 120.0° |
| C25 | C26 | H26 | 118.5° | 120.0° |
| C27 | C26 | H26 | 118.3° | 120.0° |
| C26 | C27 | C28 | 117.7° | 120.0° |
| C26 | C27 | H27 | 123.5° | 120.0° |
| C28 | C27 | H27 | 118.8° | 120.0° |
| C27 | C28 | C29 | 119.3° | 120.0° |
| C27 | C28 | H28 | 118.2° | 120.0° |
| C29 | C28 | H28 | 122.5° | 120.0° |
| C28 | C29 | H29 | 117.6° | 120.0° |
| C30 | N1 | HN1 | 123.4° | 120.0° |
| N1 | C30 | O11 | 134.3° | 120.0° |
| N1 | C30 | O12 | 102.6° | 120.0° |
| O11 | C30 | O12 | 122.9° | 120.0° |
| C30 | O12 | C31 | 115.1° | 120.0° |
| O12 | C31 | C32 | 91.2° | 109.5° |
| O12 | C31 | C33 | 114.3° | 109.5° |
| O12 | C31 | C34 | 117.1° | 109.5° |
| C32 | C31 | C33 | 122.4° | 109.5° |
| C32 | C31 | C34 | 108.5° | 109.5° |
| C31 | C32 | H321 | 91.2° | 109.5° |
| C31 | C32 | H322 | 119.5° | 109.5° |
| C31 | C32 | H323 | 119.5° | 109.5° |
| C33 | C31 | C34 | 103.9° | 109.4° |
| C31 | C33 | H331 | 114.3° | 109.5° |
| C31 | C33 | H332 | 110.4° | 109.5° |
| C31 | C33 | H333 | 110.4° | 109.5° |
| C31 | C34 | H341 | 117.1° | 109.4° |
| C31 | C34 | H342 | 109.4° | 109.5° |
| C31 | C34 | H343 | 109.5° | 109.5° |
| H321 | C32 | H322 | 119.5° | 109.5° |
| H321 | C32 | H323 | 119.5° | 109.5° |
| H322 | C32 | H323 | 90.6° | 109.5° |
| H331 | C33 | H332 | 110.5° | 109.4° |
| H331 | C33 | H333 | 110.4° | 109.5° |
| H332 | C33 | H333 | 99.9° | 109.4° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.4° | 109.5° |
| H342 | C34 | H343 | 100.6° | 109.5° |
| O13 | C35 | C36 | 119.3° | 119.9° |
| C35 | C36 | C37 | 114.3° | 120.2° |
| C35 | C36 | C41 | 125.9° | 120.1° |
| C37 | C36 | C41 | 119.7° | 119.7° |
| C36 | C37 | C38 | 110.8° | 119.9° |
| C36 | C37 | H37 | 120.1° | 120.1° |
| C36 | C41 | C40 | 122.1° | 119.8° |
| C36 | C41 | H41 | 121.5° | 120.1° |
| C38 | C37 | H37 | 129.1° | 120.0° |
| C37 | C38 | C39 | 133.9° | 120.1° |
| C37 | C38 | H38 | 117.2° | 120.0° |
| C39 | C38 | H38 | 108.9° | 119.9° |
| C38 | C39 | C40 | 120.0° | 120.3° |
| C38 | C39 | H39 | 121.5° | 119.9° |
| C40 | C39 | H39 | 118.5° | 119.8° |
| C39 | C40 | C41 | 112.5° | 120.2° |
| C39 | C40 | H40 | 118.1° | 119.9° |
| C41 | C40 | H40 | 129.3° | 119.9° |
| C40 | C41 | H41 | 116.4° | 120.0° |
| O14 | C42 | C43 | 123.5° | 120.0° |
| C42 | C43 | H431 | 106.1° | 109.5° |
| C42 | C43 | H432 | 113.4° | 109.4° |
| C42 | C43 | H433 | 113.4° | 109.5° |
| H431 | C43 | H432 | 113.5° | 109.4° |
| H431 | C43 | H433 | 113.5° | 109.5° |
| H432 | C43 | H433 | 97.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C14 | C15 | 132.7° | 128.0° |
| C2 | C1 | C14 | O1 | 109.1° | 116.4° |
| C2 | C1 | C15 | O1 | 118.8° | 116.7° |
| C1 | C2 | C3 | O2 | 127.3° | 117.2° |
| C1 | C2 | C3 | H2 | 113.0° | 126.7° |
| C1 | C2 | O2 | H2 | 112.8° | 115.7° |
| C1 | C2 | C3 | C4 | 139.5° | 116.5° |
| C1 | C2 | C3 | C8 | 95.1° | 102.1° |
| C1 | C2 | C3 | H3 | 20.0° | 10.5° |
| C2 | C1 | C15 | C11 | 72.3° | 68.0° |
| C2 | C1 | C14 | C13 | 127.6° | 111.3° |
| C2 | C1 | C14 | H141 | 2.4° | 12.6° |
| C2 | C1 | C14 | H142 | 107.1° | 128.5° |
| C2 | C1 | C15 | C16 | 53.3° | 172.8° |
| C2 | C1 | C15 | C17 | 167.2° | 57.1° |
| C2 | C1 | O1 | HO1 | 179.9° | 60.0° |
| C1 | C2 | O2 | C35 | 99.3° | 88.4° |
| C14 | C1 | C15 | O1 | 118.8° | 115.9° |
| C14 | C1 | C2 | C3 | 56.2° | 59.8° |
| C14 | C1 | C2 | O2 | 64.8° | 59.0° |
| C14 | C1 | C2 | H2 | 176.6° | 170.9° |
| C14 | C1 | C15 | C11 | 50.2° | 59.4° |
| C1 | C14 | C13 | C12 | 49.5° | 31.7° |
| C1 | C14 | C13 | H141 | 125.2° | 124.1° |
| C1 | C14 | C13 | H142 | 125.2° | 120.0° |
| C1 | C14 | C13 | O8 | 162.7° | 150.9° |
| C1 | C14 | C13 | H13 | 71.6° | 92.0° |
| C1 | C14 | H141 | H142 | 115.6° | 116.7° |
| C14 | C1 | C15 | C16 | 175.8° | 59.8° |
| C14 | C1 | C15 | C17 | 70.3° | 175.5° |
| C14 | C1 | O1 | HO1 | 66.6° | 59.9° |
| C15 | C1 | C2 | C3 | 64.6° | 67.3° |
| C15 | C1 | C2 | O2 | 174.4° | 174.0° |
| C15 | C1 | C2 | H2 | 55.8° | 62.1° |
| C1 | C15 | C11 | C10 | 111.2° | 124.8° |
| C1 | C15 | C11 | C12 | 62.4° | 54.7° |
| C1 | C15 | C11 | C16 | 114.0° | 118.9° |
| C1 | C15 | C11 | C17 | 131.1° | 121.3° |
| C15 | C1 | C14 | C13 | 5.1° | 16.7° |
| C15 | C1 | C14 | H141 | 130.3° | 140.7° |
| C15 | C1 | C14 | H142 | 120.1° | 103.4° |
| C1 | C15 | C16 | C17 | 127.3° | 117.6° |
| C1 | C15 | C16 | H161 | 180.0° | 49.8° |
| C1 | C15 | C16 | H162 | 54.8° | 70.2° |
| C1 | C15 | C16 | H163 | 54.8° | 169.8° |
| C1 | C15 | C17 | H171 | 180.0° | 163.4° |
| C1 | C15 | C17 | H172 | 54.8° | 76.6° |
| C1 | C15 | C17 | H173 | 54.8° | 43.5° |
| C15 | C1 | O1 | HO1 | 47.7° | 178.9° |
| O1 | C1 | C2 | C3 | 172.3° | 176.2° |
| O1 | C1 | C2 | O2 | 51.3° | 57.5° |
| O1 | C1 | C2 | H2 | 67.3° | 54.4° |
| O1 | C1 | C15 | C11 | 168.9° | 175.3° |
| O1 | C1 | C14 | C13 | 123.3° | 132.3° |
| O1 | C1 | C14 | H141 | 111.5° | 103.7° |
| O1 | C1 | C14 | H142 | 1.9° | 12.2° |
| O1 | C1 | C15 | C16 | 65.5° | 56.1° |
| O1 | C1 | C15 | C17 | 48.4° | 59.6° |
| C3 | C2 | O2 | H2 | 121.2° | 122.7° |
| C2 | C3 | C4 | C8 | 128.6° | 141.7° |
| C2 | C3 | C4 | H3 | 115.5° | 108.1° |
| C2 | C3 | C8 | H3 | 114.8° | 112.6° |
| C2 | C3 | C4 | C5 | 155.5° | 158.0° |
| C2 | C3 | C4 | C20 | 48.5° | 57.2° |
| C2 | C3 | C4 | O3 | 78.2° | 70.4° |
| C2 | C3 | C8 | C7 | 172.3° | 128.5° |
| C2 | C3 | C8 | C9 | 62.1° | 106.4° |
| C2 | C3 | C8 | C19 | 67.8° | 15.0° |
| C3 | C2 | O2 | C35 | 134.7° | 150.0° |
| O2 | C2 | C3 | C4 | 12.1° | 0.7° |
| O2 | C2 | C3 | C8 | 137.6° | 140.7° |
| O2 | C2 | C3 | H3 | 107.3° | 106.7° |
| C2 | O2 | C35 | O13 | 0.7° | 0.0° |
| C2 | O2 | C35 | C36 | 178.8° | 179.9° |
| H2 | C2 | C3 | C4 | 107.5° | 116.8° |
| H2 | C2 | C3 | C8 | 17.9° | 24.6° |
| H2 | C2 | C3 | H3 | 133.1° | 137.2° |
| H2 | C2 | O2 | C35 | 13.5° | 27.3° |
| C4 | C3 | C8 | H3 | 119.5° | 108.5° |
| C3 | C4 | C5 | C20 | 128.9° | 115.2° |
| C3 | C4 | C5 | O3 | 126.8° | 131.7° |
| C3 | C4 | C20 | O3 | 127.7° | 126.9° |
| C3 | C4 | C5 | C6 | 3.6° | 0.5° |
| C3 | C4 | C5 | O4 | 123.3° | 118.4° |
| C3 | C4 | C5 | H5 | 115.7° | 127.9° |
| C4 | C3 | C8 | C7 | 62.0° | 10.5° |
| C4 | C3 | C8 | C9 | 172.2° | 114.7° |
| C4 | C3 | C8 | C19 | 57.9° | 123.9° |
| C3 | C4 | C20 | O4 | 120.2° | 124.7° |
| C3 | C4 | C20 | H201 | 5.0° | 8.8° |
| C3 | C4 | C20 | H202 | 114.5° | 120.7° |
| C3 | C4 | O3 | C42 | 72.3° | 178.2° |
| C8 | C3 | C4 | C5 | 26.9° | 16.3° |
| C8 | C3 | C4 | C20 | 80.1° | 84.5° |
| C8 | C3 | C4 | O3 | 153.2° | 147.9° |
| C3 | C8 | C7 | C6 | 71.8° | 52.1° |
| C3 | C8 | C7 | C9 | 119.8° | 129.4° |
| C3 | C8 | C7 | C19 | 114.9° | 119.3° |
| C3 | C8 | C7 | O5 | 158.6° | 70.7° |
| C3 | C8 | C7 | H7 | 45.4° | 171.0° |
| C3 | C8 | C9 | C19 | 124.3° | 123.9° |
| C3 | C8 | C9 | C10 | 48.1° | 65.2° |
| C3 | C8 | C9 | O6 | 140.3° | 115.3° |
| C3 | C8 | C19 | H191 | 180.0° | 31.2° |
| C3 | C8 | C19 | H192 | 54.8° | 151.2° |
| C3 | C8 | C19 | H193 | 54.8° | 88.8° |
| H3 | C3 | C4 | C5 | 89.0° | 93.9° |
| H3 | C3 | C4 | C20 | 164.0° | 165.3° |
| H3 | C3 | C4 | O3 | 37.3° | 37.7° |
| H3 | C3 | C8 | C7 | 57.5° | 119.0° |
| H3 | C3 | C8 | C9 | 52.7° | 6.2° |
| H3 | C3 | C8 | C19 | 177.4° | 127.6° |
| C5 | C4 | C20 | O3 | 105.7° | 111.6° |
| C4 | C5 | C6 | O4 | 109.5° | 101.8° |
| C4 | C5 | C6 | H5 | 128.8° | 128.9° |
| C4 | C5 | O4 | H5 | 128.4° | 113.5° |
| C4 | C5 | C6 | C7 | 5.6° | 40.2° |
| C4 | C5 | C6 | H61 | 119.6° | 160.4° |
| C4 | C5 | C6 | H62 | 130.9° | 80.5° |
| C5 | C4 | C20 | O4 | 6.4° | 3.2° |
| C5 | C4 | C20 | H201 | 131.6° | 112.7° |
| C5 | C4 | C20 | H202 | 118.9° | 117.8° |
| C5 | C4 | O3 | C42 | 63.1° | 45.7° |
| C20 | C4 | C5 | C6 | 132.5° | 114.7° |
| C20 | C4 | C5 | H5 | 115.4° | 116.8° |
| C4 | C20 | O4 | H201 | 125.2° | 115.8° |
| C4 | C20 | O4 | H202 | 125.3° | 114.8° |
| C4 | C20 | H201 | H202 | 124.1° | 130.5° |
| C20 | C4 | O3 | C42 | 149.9° | 50.3° |
| O3 | C4 | C5 | C6 | 123.2° | 132.3° |
| O3 | C4 | C5 | O4 | 109.9° | 109.9° |
| O3 | C4 | C5 | H5 | 11.1° | 3.8° |
| O3 | C4 | C20 | O4 | 112.1° | 108.4° |
| O3 | C4 | C20 | H201 | 122.7° | 135.7° |
| O3 | C4 | C20 | H202 | 13.2° | 6.2° |
| C4 | O3 | C42 | O14 | 5.2° | 0.1° |
| C4 | O3 | C42 | C43 | 175.2° | 180.0° |
| C6 | C5 | O4 | H5 | 112.4° | 128.8° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.3° |
| C5 | C6 | H61 | H62 | 114.6° | 119.6° |
| C5 | C6 | C7 | C8 | 41.8° | 67.2° |
| C5 | C6 | C7 | O5 | 170.5° | 54.3° |
| C5 | C6 | C7 | H7 | 76.6° | 175.4° |
| C6 | C5 | O4 | C20 | 126.0° | 114.3° |
| O4 | C5 | C6 | C7 | 115.2° | 61.6° |
| O4 | C5 | C6 | H61 | 10.1° | 58.6° |
| O4 | C5 | C6 | H62 | 119.6° | 177.7° |
| C5 | O4 | C20 | H201 | 131.3° | 112.5° |
| C5 | O4 | C20 | H202 | 119.2° | 118.2° |
| H5 | C5 | C6 | C7 | 123.1° | 169.2° |
| H5 | C5 | C6 | H61 | 111.6° | 70.6° |
| H5 | C5 | C6 | H62 | 2.1° | 48.4° |
| H5 | C5 | O4 | C20 | 121.6° | 117.0° |
| C7 | C6 | H61 | H62 | 114.5° | 120.7° |
| C6 | C7 | C8 | O5 | 129.7° | 122.8° |
| C6 | C7 | C8 | H7 | 117.1° | 118.9° |
| C6 | C7 | O5 | H7 | 116.1° | 121.3° |
| C6 | C7 | C8 | C9 | 168.4° | 77.2° |
| C6 | C7 | C8 | C19 | 43.2° | 171.5° |
| C6 | C7 | O5 | HO5 | 180.0° | 60.0° |
| H61 | C6 | C7 | C8 | 83.4° | 172.9° |
| H61 | C6 | C7 | O5 | 45.2° | 65.6° |
| H61 | C6 | C7 | H7 | 158.2° | 55.4° |
| H62 | C6 | C7 | C8 | 167.1° | 53.2° |
| H62 | C6 | C7 | O5 | 64.3° | 174.6° |
| H62 | C6 | C7 | H7 | 48.7° | 64.3° |
| C8 | C7 | O5 | H7 | 117.6° | 117.1° |
| C7 | C8 | C9 | C19 | 122.9° | 107.5° |
| C7 | C8 | C9 | C10 | 64.7° | 166.2° |
| C7 | C8 | C9 | O6 | 106.9° | 13.3° |
| C7 | C8 | C19 | H191 | 65.3° | 90.2° |
| C7 | C8 | C19 | H192 | 169.5° | 29.8° |
| C7 | C8 | C19 | H193 | 60.0° | 149.8° |
| C8 | C7 | O5 | HO5 | 53.7° | 178.4° |
| O5 | C7 | C8 | C9 | 38.7° | 160.0° |
| O5 | C7 | C8 | C19 | 86.5° | 48.7° |
| H7 | C7 | C8 | C9 | 74.5° | 41.7° |
| H7 | C7 | C8 | C19 | 160.3° | 69.6° |
| H7 | C7 | O5 | HO5 | 63.9° | 61.3° |
| C8 | C9 | C10 | O6 | 171.8° | 179.5° |
| C8 | C9 | C10 | C11 | 61.0° | 50.9° |
| C8 | C9 | C10 | O7 | 177.5° | 77.2° |
| C8 | C9 | C10 | H10 | 64.0° | 167.0° |
| C9 | C8 | C19 | H191 | 51.1° | 157.7° |
| C9 | C8 | C19 | H192 | 74.2° | 82.3° |
| C9 | C8 | C19 | H193 | 176.3° | 37.7° |
| C19 | C8 | C9 | C10 | 172.4° | 58.7° |
| C19 | C8 | C9 | O6 | 15.9° | 120.8° |
| C8 | C19 | H191 | H192 | 125.2° | 120.0° |
| C8 | C19 | H191 | H193 | 125.2° | 120.0° |
| C8 | C19 | H192 | H193 | 119.6° | 120.0° |
| C9 | C10 | C11 | O7 | 131.0° | 125.7° |
| C9 | C10 | C11 | H10 | 113.9° | 115.6° |
| C9 | C10 | O7 | H10 | 112.4° | 117.3° |
| C9 | C10 | C11 | C12 | 123.0° | 71.8° |
| C9 | C10 | C11 | C15 | 51.3° | 107.7° |
| C9 | C10 | O7 | HO7 | 180.0° | 57.8° |
| O6 | C9 | C10 | C11 | 127.2° | 129.6° |
| O6 | C9 | C10 | O7 | 5.8° | 102.3° |
| O6 | C9 | C10 | H10 | 107.8° | 13.5° |
| C11 | C10 | O7 | H10 | 125.1° | 120.5° |
| C10 | C11 | C12 | C15 | 174.1° | 179.5° |
| C10 | C11 | C12 | C13 | 166.7° | 175.3° |
| C10 | C11 | C12 | C18 | 10.0° | 5.5° |
| C10 | C11 | C15 | C16 | 2.8° | 116.3° |
| C10 | C11 | C15 | C17 | 117.7° | 3.5° |
| C11 | C10 | O7 | HO7 | 57.5° | 180.0° |
| O7 | C10 | C11 | C12 | 106.0° | 162.6° |
| O7 | C10 | C11 | C15 | 79.7° | 18.0° |
| H10 | C10 | C11 | C12 | 9.1° | 43.8° |
| H10 | C10 | C11 | C15 | 165.2° | 136.7° |
| H10 | C10 | O7 | HO7 | 67.6° | 59.5° |
| C11 | C12 | C13 | C18 | 177.1° | 179.1° |
| C11 | C12 | C13 | C14 | 46.3° | 40.7° |
| C11 | C12 | C13 | O8 | 160.5° | 160.0° |
| C11 | C12 | C13 | H13 | 74.0° | 83.1° |
| C12 | C11 | C15 | C16 | 176.4° | 64.2° |
| C12 | C11 | C15 | C17 | 68.6° | 176.0° |
| C11 | C12 | C18 | H181 | 180.0° | 179.1° |
| C11 | C12 | C18 | H182 | 54.8° | 59.2° |
| C11 | C12 | C18 | H183 | 54.7° | 60.8° |
| C15 | C11 | C12 | C13 | 7.4° | 4.2° |
| C15 | C11 | C12 | C18 | 175.9° | 175.0° |
| C11 | C15 | C16 | C17 | 115.7° | 125.2° |
| C11 | C15 | C16 | H161 | 63.0° | 67.3° |
| C11 | C15 | C16 | H162 | 171.8° | 172.7° |
| C11 | C15 | C16 | H163 | 62.2° | 52.7° |
| C11 | C15 | C17 | H171 | 58.5° | 43.4° |
| C11 | C15 | C17 | H172 | 66.8° | 163.4° |
| C11 | C15 | C17 | H173 | 176.3° | 76.5° |
| C12 | C13 | C14 | O8 | 113.2° | 119.3° |
| C12 | C13 | C14 | H13 | 121.1° | 123.7° |
| C12 | C13 | O8 | H13 | 120.3° | 119.2° |
| C12 | C13 | C14 | H141 | 75.7° | 92.4° |
| C12 | C13 | C14 | H142 | 174.8° | 151.7° |
| C13 | C12 | C18 | H181 | 3.7° | 0.0° |
| C13 | C12 | C18 | H182 | 128.9° | 120.0° |
| C13 | C12 | C18 | H183 | 121.7° | 120.1° |
| C12 | C13 | O8 | C21 | 95.1° | 88.7° |
| C18 | C12 | C13 | C14 | 130.8° | 140.2° |
| C18 | C12 | C13 | O8 | 16.6° | 20.9° |
| C18 | C12 | C13 | H13 | 108.9° | 96.1° |
| C12 | C18 | H181 | H182 | 125.2° | 120.0° |
| C12 | C18 | H181 | H183 | 125.3° | 120.0° |
| C12 | C18 | H182 | H183 | 109.8° | 120.0° |
| C14 | C13 | O8 | H13 | 119.6° | 119.4° |
| C13 | C14 | H141 | H142 | 115.6° | 116.7° |
| C14 | C13 | O8 | C21 | 144.8° | 150.0° |
| O8 | C13 | C14 | H141 | 37.5° | 26.8° |
| O8 | C13 | C14 | H142 | 72.1° | 89.0° |
| C13 | O8 | C21 | O9 | 6.5° | 0.1° |
| C13 | O8 | C21 | C22 | 168.4° | 180.0° |
| H13 | C13 | C14 | H141 | 163.2° | 143.9° |
| H13 | C13 | C14 | H142 | 53.6° | 28.0° |
| H13 | C13 | O8 | C21 | 25.2° | 30.6° |
| C15 | C16 | H161 | H162 | 125.2° | 120.0° |
| C15 | C16 | H161 | H163 | 125.2° | 120.0° |
| C15 | C16 | H162 | H163 | 121.2° | 120.0° |
| C16 | C15 | C17 | H171 | 67.1° | 78.6° |
| C16 | C15 | C17 | H172 | 167.7° | 41.5° |
| C16 | C15 | C17 | H173 | 58.1° | 161.5° |
| C17 | C15 | C16 | H161 | 52.7° | 167.4° |
| C17 | C15 | C16 | H162 | 72.5° | 47.4° |
| C17 | C15 | C16 | H163 | 177.9° | 72.6° |
| C15 | C17 | H171 | H172 | 125.3° | 120.0° |
| C15 | C17 | H171 | H173 | 125.2° | 120.0° |
| C15 | C17 | H172 | H173 | 113.3° | 120.0° |
| H161 | C16 | H162 | H163 | 121.1° | 120.0° |
| H171 | C17 | H172 | H173 | 113.2° | 120.0° |
| H181 | C18 | H182 | H183 | 109.8° | 120.0° |
| H191 | C19 | H192 | H193 | 119.6° | 120.0° |
| O4 | C20 | H201 | H202 | 124.1° | 130.2° |
| O2 | C35 | O13 | C36 | 178.1° | 180.0° |
| O2 | C35 | C36 | C37 | 17.5° | 179.9° |
| O2 | C35 | C36 | C41 | 159.3° | 0.2° |
| O3 | C42 | O14 | C43 | 179.6° | 179.9° |
| O3 | C42 | C43 | H431 | 180.0° | 180.0° |
| O3 | C42 | C43 | H432 | 54.7° | 60.0° |
| O3 | C42 | C43 | H433 | 54.8° | 60.0° |
| O8 | C21 | O9 | C22 | 174.2° | 179.9° |
| O8 | C21 | C22 | O10 | 177.1° | 180.0° |
| O8 | C21 | C22 | C23 | 51.0° | 60.1° |
| O8 | C21 | C22 | H22 | 61.2° | 60.0° |
| O9 | C21 | C22 | O10 | 1.9° | 0.0° |
| O9 | C21 | C22 | C23 | 133.8° | 120.0° |
| O9 | C21 | C22 | H22 | 114.0° | 120.0° |
| C21 | C22 | O10 | C23 | 123.9° | 120.0° |
| C21 | C22 | O10 | H22 | 125.4° | 120.0° |
| C21 | C22 | C23 | H22 | 124.9° | 120.0° |
| C21 | C22 | O10 | HO0 | 180.0° | 60.0° |
| C21 | C22 | C23 | C24 | 179.3° | 180.0° |
| C21 | C22 | C23 | N1 | 54.8° | 60.0° |
| C21 | C22 | C23 | H23 | 61.9° | 60.0° |
| O10 | C22 | C23 | H22 | 113.8° | 120.0° |
| O10 | C22 | C23 | C24 | 59.4° | 60.0° |
| O10 | C22 | C23 | N1 | 66.4° | 60.0° |
| O10 | C22 | C23 | H23 | 176.8° | 180.0° |
| C23 | C22 | O10 | HO0 | 56.2° | 60.0° |
| C22 | C23 | C24 | N1 | 116.4° | 120.1° |
| C22 | C23 | C24 | H23 | 126.6° | 120.0° |
| C22 | C23 | N1 | H23 | 126.6° | 120.1° |
| C22 | C23 | C24 | C25 | 80.5° | 120.0° |
| C22 | C23 | C24 | C29 | 93.5° | 60.3° |
| C22 | C23 | N1 | C30 | 146.9° | 150.0° |
| C22 | C23 | N1 | HN1 | 33.1° | 29.9° |
| H22 | C22 | O10 | HO0 | 54.6° | 180.0° |
| H22 | C22 | C23 | C24 | 54.5° | 60.0° |
| H22 | C22 | C23 | N1 | 179.7° | 180.0° |
| H22 | C22 | C23 | H23 | 63.0° | 60.0° |
| C24 | C23 | N1 | H23 | 117.6° | 119.9° |
| C23 | C24 | C25 | C29 | 174.3° | 179.7° |
| C23 | C24 | C25 | C26 | 171.9° | 180.0° |
| C23 | C24 | C25 | H25 | 8.0° | 0.0° |
| C23 | C24 | C29 | C28 | 172.3° | 179.8° |
| C23 | C24 | C29 | H29 | 7.7° | 0.3° |
| C24 | C23 | N1 | C30 | 97.4° | 90.0° |
| C24 | C23 | N1 | HN1 | 82.7° | 90.1° |
| N1 | C23 | C24 | C25 | 35.9° | 119.9° |
| N1 | C23 | C24 | C29 | 150.1° | 59.8° |
| C23 | N1 | C30 | HN1 | 180.0° | 179.9° |
| C23 | N1 | C30 | O11 | 12.5° | 0.0° |
| C23 | N1 | C30 | O12 | 172.7° | 180.0° |
| H23 | C23 | C24 | C25 | 152.9° | 0.0° |
| H23 | C23 | C24 | C29 | 33.1° | 179.7° |
| H23 | C23 | N1 | C30 | 20.2° | 29.9° |
| H23 | C23 | N1 | HN1 | 159.7° | 150.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.7° | 0.1° |
| C24 | C25 | C26 | H26 | 179.3° | 180.0° |
| C25 | C24 | C29 | C28 | 1.9° | 0.5° |
| C25 | C24 | C29 | H29 | 178.2° | 180.0° |
| C29 | C24 | C25 | C26 | 2.4° | 0.3° |
| C29 | C24 | C25 | H25 | 177.7° | 179.7° |
| C24 | C29 | C28 | C27 | 0.6° | 0.5° |
| C24 | C29 | C28 | H29 | 180.0° | 179.5° |
| C24 | C29 | C28 | H28 | 179.5° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.8° | 0.0° |
| C25 | C26 | C27 | H27 | 178.2° | 180.0° |
| H25 | C25 | C26 | C27 | 179.4° | 180.0° |
| H25 | C25 | C26 | H26 | 0.7° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 2.3° | 0.2° |
| C26 | C27 | C28 | H28 | 177.8° | 179.9° |
| H26 | C26 | C27 | C28 | 178.3° | 180.0° |
| H26 | C26 | C27 | H27 | 1.8° | 0.1° |
| C27 | C28 | C29 | H28 | 179.9° | 179.8° |
| C27 | C28 | C29 | H29 | 179.4° | 180.0° |
| H27 | C27 | C28 | C29 | 177.7° | 179.8° |
| H27 | C27 | C28 | H28 | 2.2° | 0.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.2° |
| N1 | C30 | O11 | O12 | 174.0° | 180.0° |
| N1 | C30 | O12 | C31 | 177.0° | 180.0° |
| HN1 | N1 | C30 | O11 | 167.5° | 180.0° |
| HN1 | N1 | C30 | O12 | 7.4° | 0.0° |
| O11 | C30 | O12 | C31 | 1.4° | 0.0° |
| C30 | O12 | C31 | C32 | 179.0° | 180.0° |
| C30 | O12 | C31 | C33 | 54.3° | 60.0° |
| C30 | O12 | C31 | C34 | 67.5° | 60.0° |
| O12 | C31 | C32 | C33 | 120.1° | 120.0° |
| O12 | C31 | C32 | C34 | 119.1° | 120.0° |
| O12 | C31 | C33 | C34 | 128.8° | 120.0° |
| O12 | C31 | C32 | H321 | 180.0° | 180.0° |
| O12 | C31 | C32 | H322 | 54.7° | 60.0° |
| O12 | C31 | C32 | H323 | 54.7° | 60.0° |
| O12 | C31 | C33 | H331 | 180.0° | 60.0° |
| O12 | C31 | C33 | H332 | 54.7° | 59.9° |
| O12 | C31 | C33 | H333 | 54.7° | 179.9° |
| O12 | C31 | C34 | H341 | 180.0° | 60.0° |
| O12 | C31 | C34 | H342 | 54.7° | 179.9° |
| O12 | C31 | C34 | H343 | 54.7° | 59.9° |
| C32 | C31 | C33 | C34 | 122.9° | 120.0° |
| C31 | C32 | H321 | H322 | 125.2° | 120.0° |
| C31 | C32 | H321 | H323 | 125.3° | 120.0° |
| C31 | C32 | H322 | H323 | 124.8° | 120.0° |
| C32 | C31 | C33 | H331 | 71.8° | 60.1° |
| C32 | C31 | C33 | H332 | 53.5° | 180.0° |
| C32 | C31 | C33 | H333 | 163.0° | 60.0° |
| C32 | C31 | C34 | H341 | 78.7° | 60.0° |
| C32 | C31 | C34 | H342 | 155.9° | 60.0° |
| C32 | C31 | C34 | H343 | 46.5° | 180.0° |
| C33 | C31 | C32 | H321 | 60.0° | 59.9° |
| C33 | C31 | C32 | H322 | 174.8° | 180.0° |
| C33 | C31 | C32 | H323 | 65.4° | 60.0° |
| C31 | C33 | H331 | H332 | 125.2° | 120.0° |
| C31 | C33 | H331 | H333 | 125.2° | 120.1° |
| C31 | C33 | H332 | H333 | 116.2° | 120.0° |
| C33 | C31 | C34 | H341 | 52.9° | 180.0° |
| C33 | C31 | C34 | H342 | 72.4° | 60.0° |
| C33 | C31 | C34 | H343 | 178.2° | 60.1° |
| C34 | C31 | C32 | H321 | 60.8° | 60.0° |
| C34 | C31 | C32 | H322 | 64.4° | 60.0° |
| C34 | C31 | C32 | H323 | 173.8° | 180.0° |
| C34 | C31 | C33 | H331 | 51.2° | 180.0° |
| C34 | C31 | C33 | H332 | 176.5° | 60.0° |
| C34 | C31 | C33 | H333 | 74.0° | 59.9° |
| C31 | C34 | H341 | H342 | 125.3° | 120.0° |
| C31 | C34 | H341 | H343 | 125.3° | 120.0° |
| C31 | C34 | H342 | H343 | 115.2° | 120.0° |
| H321 | C32 | H322 | H323 | 124.9° | 120.0° |
| H331 | C33 | H332 | H333 | 116.3° | 120.0° |
| H341 | C34 | H342 | H343 | 115.2° | 120.0° |
| O13 | C35 | C36 | C37 | 164.3° | 0.1° |
| O13 | C35 | C36 | C41 | 18.9° | 179.7° |
| C35 | C36 | C37 | C41 | 177.0° | 179.8° |
| C35 | C36 | C37 | C38 | 179.6° | 180.0° |
| C35 | C36 | C37 | H37 | 0.4° | 0.1° |
| C35 | C36 | C41 | C40 | 175.2° | 179.7° |
| C35 | C36 | C41 | H41 | 4.9° | 0.2° |
| C36 | C37 | C38 | H37 | NaN° | 179.9° |
| C36 | C37 | C38 | C39 | 0.3° | 0.1° |
| C36 | C37 | C38 | H38 | 179.7° | 180.0° |
| C37 | C36 | C41 | C40 | 1.5° | 0.5° |
| C37 | C36 | C41 | H41 | 178.5° | 179.9° |
| C41 | C36 | C37 | C38 | 2.6° | 0.1° |
| C41 | C36 | C37 | H37 | 177.4° | 179.8° |
| C36 | C41 | C40 | C39 | 8.7° | 0.5° |
| C36 | C41 | C40 | H41 | 180.0° | 179.5° |
| C36 | C41 | C40 | H40 | 171.3° | 179.7° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 8.5° | 0.1° |
| C37 | C38 | C39 | H39 | 171.5° | 179.9° |
| H37 | C37 | C38 | C39 | 179.7° | 180.0° |
| H37 | C37 | C38 | H38 | 0.3° | 0.1° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 11.2° | 0.3° |
| C38 | C39 | C40 | H40 | 168.8° | 180.0° |
| H38 | C38 | C39 | C40 | 171.5° | 180.0° |
| H38 | C38 | C39 | H39 | 8.5° | 0.0° |
| C39 | C40 | C41 | H40 | 180.0° | 179.8° |
| C39 | C40 | C41 | H41 | 171.3° | 180.0° |
| H39 | C39 | C40 | C41 | 168.9° | 179.8° |
| H39 | C39 | C40 | H40 | 11.2° | 0.0° |
| H40 | C40 | C41 | H41 | 8.7° | 0.2° |
| O14 | C42 | C43 | H431 | 0.3° | 0.1° |
| O14 | C42 | C43 | H432 | 125.6° | 120.0° |
| O14 | C42 | C43 | H433 | 124.9° | 120.0° |
| C42 | C43 | H431 | H432 | 125.2° | 119.9° |
| C42 | C43 | H431 | H433 | 125.2° | 120.0° |
| C42 | C43 | H432 | H433 | 119.3° | 120.0° |
| H431 | C43 | H432 | H433 | 119.5° | 120.0° |
