RIF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C12 | doub | 1.34Å | 1.49Å | |
| C1 | C43 | sing | 1.49Å | 1.49Å | |
| C1 | O1 | sing | 1.36Å | 1.34Å | |
| C2 | C38 | sing | 1.49Å | 1.44Å | |
| C2 | C39 | sing | 1.51Å | 1.51Å | |
| C2 | C43 | sing | 1.53Å | 1.51Å | |
| C2 | HC2 | sing | 1.10Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C39 | sing | 1.38Å | 1.41Å | |
| C3 | O4 | doub | 1.22Å | 1.27Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | O3 | sing | 1.44Å | 1.46Å | |
| C4 | O5 | sing | 1.42Å | 1.50Å | |
| C5 | HC51 | sing | 1.09Å | 1.11Å | |
| C5 | HC52 | sing | 1.09Å | 1.11Å | |
| C5 | HC53 | sing | 1.09Å | 1.12Å | |
| C6 | C41 | sing | 1.51Å | 1.51Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C6 | HC63 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.44Å | 1.52Å | |
| C7 | N4 | sing | 1.34Å | 1.37Å | |
| C7 | O16 | doub | 1.21Å | 1.21Å | |
| C8 | C9 | doub | 1.35Å | 1.38Å | |
| C8 | C24 | sing | 1.52Å | 1.49Å | |
| C9 | C10 | sing | 1.46Å | 1.48Å | |
| C9 | HC9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.34Å | 1.34Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C13 | sing | 1.51Å | 1.55Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C23 | sing | 1.49Å | 1.45Å | |
| C12 | N4 | sing | 1.41Å | 1.48Å | |
| C13 | C14 | sing | 1.52Å | 1.56Å | |
| C13 | C31 | sing | 1.53Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | O10 | sing | 1.43Å | 1.45Å | |
| C14 | H14 | sing | 1.10Å | 1.11Å | |
| C15 | C16 | sing | 1.52Å | 1.57Å | |
| C15 | C32 | sing | 1.52Å | 1.56Å | |
| C15 | H15 | sing | 1.10Å | 1.12Å | |
| C16 | C17 | sing | 1.52Å | 1.57Å | |
| C16 | O9 | sing | 1.44Å | 1.46Å | |
| C16 | H16 | sing | 1.10Å | 1.11Å | |
| C17 | C18 | sing | 1.54Å | 1.61Å | |
| C17 | C33 | sing | 1.53Å | 1.56Å | |
| C17 | H17 | sing | 1.08Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.60Å | |
| C18 | O7 | sing | 1.45Å | 1.51Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | C34 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.51Å | 1.56Å | |
| C20 | O6 | sing | 1.43Å | 1.50Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | doub | 1.32Å | 1.36Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | O5 | sing | 1.35Å | 1.48Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C38 | doub | 1.34Å | 1.50Å | |
| C23 | N2 | sing | 1.40Å | 1.31Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | N2 | sing | 1.47Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | O18 | sing | 1.43Å | 1.49Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C28 | O18 | sing | 1.43Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | N2 | sing | 1.47Å | 1.48Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| 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 | 1.12Å | |
| 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 | C36 | sing | 1.51Å | 1.48Å | |
| C35 | O7 | sing | 1.34Å | 1.40Å | |
| C35 | O8 | doub | 1.21Å | 1.20Å | |
| C36 | O19 | sing | 1.45Å | 1.56Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | O6 | sing | 1.43Å | 1.46Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H373 | sing | 1.09Å | 1.12Å | |
| C38 | O17 | sing | 1.36Å | 1.38Å | |
| C39 | C40 | doub | 1.41Å | 1.45Å | |
| C40 | C41 | sing | 1.42Å | 1.40Å | |
| C40 | O3 | sing | 1.34Å | 1.38Å | |
| C41 | C42 | doub | 1.36Å | 1.49Å | |
| C42 | C43 | sing | 1.49Å | 1.55Å | |
| C42 | O2 | sing | 1.35Å | 1.28Å | |
| C43 | H43 | sing | 1.11Å | 1.11Å | |
| N4 | HN4 | sing | 0.98Å | 1.02Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O10 | H10O | sing | 0.97Å | 0.95Å | |
| O17 | H17O | sing | 0.97Å | 0.95Å | |
| C44 | C45 | sing | 1.51Å | 1.49Å | |
| C44 | O19 | sing | 1.34Å | 1.39Å | |
| C44 | O20 | doub | 1.21Å | 1.20Å | |
| C45 | C54 | sing | 1.51Å | 1.42Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| N6 | C50 | sing | 1.47Å | 1.50Å | |
| N6 | C51 | sing | 1.39Å | 1.42Å | |
| N6 | C52 | sing | 1.39Å | 1.42Å | |
| C50 | H501 | sing | 1.09Å | 1.11Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C50 | H503 | sing | 1.09Å | 1.12Å | |
| C51 | C53 | doub | 1.32Å | 1.40Å | |
| C51 | H51 | sing | 1.08Å | 1.10Å | |
| C52 | C54 | doub | 1.32Å | 1.41Å | |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C53 | C55 | sing | 1.50Å | 1.41Å | |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C54 | C55 | sing | 1.50Å | 1.41Å | |
| C55 | H55 | sing | 1.09Å | 1.11Å | |
| C55 | H551 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C1 | C43 | 118.9° | 120.2° |
| C12 | C1 | O1 | 121.2° | 119.1° |
| C1 | C12 | C23 | 121.3° | 118.3° |
| C1 | C12 | N4 | 124.9° | 126.6° |
| C43 | C1 | O1 | 119.8° | 120.8° |
| C1 | C43 | C2 | 119.2° | 114.6° |
| C1 | C43 | C42 | 120.3° | 117.8° |
| C1 | C43 | H43 | 128.8° | 103.9° |
| C1 | O1 | HO1 | 121.3° | 106.8° |
| C38 | C2 | C39 | 124.3° | 115.0° |
| C38 | C2 | C43 | 119.8° | 109.7° |
| C38 | C2 | HC2 | 34.2° | 109.4° |
| C2 | C38 | C23 | 121.6° | 122.1° |
| C2 | C38 | O17 | 122.6° | 120.8° |
| C39 | C2 | C43 | 115.9° | 106.6° |
| C39 | C2 | HC2 | 90.1° | 107.3° |
| C2 | C39 | C3 | 133.8° | 132.9° |
| C2 | C39 | C40 | 119.7° | 118.5° |
| C43 | C2 | HC2 | 154.0° | 108.6° |
| C2 | C43 | C42 | 120.5° | 110.6° |
| C2 | C43 | H43 | 109.0° | 104.3° |
| C4 | C3 | C39 | 108.8° | 106.7° |
| C4 | C3 | O4 | 119.4° | 125.3° |
| C3 | C4 | C5 | 114.5° | 110.3° |
| C3 | C4 | O3 | 104.1° | 103.7° |
| C3 | C4 | O5 | 112.0° | 110.6° |
| C39 | C3 | O4 | 131.8° | 128.0° |
| C3 | C39 | C40 | 106.4° | 108.5° |
| C5 | C4 | O3 | 112.5° | 110.9° |
| C5 | C4 | O5 | 107.5° | 111.3° |
| C4 | C5 | HC51 | 114.6° | 109.5° |
| C4 | C5 | HC52 | 110.3° | 109.5° |
| C4 | C5 | HC53 | 110.4° | 109.5° |
| O3 | C4 | O5 | 106.0° | 109.7° |
| C4 | O3 | C40 | 109.4° | 109.6° |
| C4 | O5 | C22 | 123.9° | 110.5° |
| HC51 | C5 | HC52 | 110.4° | 109.5° |
| HC51 | C5 | HC53 | 110.3° | 109.4° |
| HC52 | C5 | HC53 | 99.9° | 109.5° |
| C41 | C6 | HC61 | 123.9° | 109.4° |
| C41 | C6 | HC62 | 107.1° | 109.5° |
| C41 | C6 | HC63 | 107.1° | 109.4° |
| C6 | C41 | C40 | 123.9° | 120.5° |
| C6 | C41 | C42 | 119.2° | 120.5° |
| HC61 | C6 | HC62 | 107.1° | 109.5° |
| HC61 | C6 | HC63 | 107.1° | 109.5° |
| HC62 | C6 | HC63 | 102.6° | 109.5° |
| C8 | C7 | N4 | 111.3° | 129.3° |
| C8 | C7 | O16 | 120.2° | 116.4° |
| C7 | C8 | C9 | 123.4° | 122.4° |
| C7 | C8 | C24 | 115.1° | 119.9° |
| N4 | C7 | O16 | 128.5° | 114.3° |
| C7 | N4 | C12 | 136.2° | 114.7° |
| C7 | N4 | HN4 | 106.8° | 122.9° |
| C9 | C8 | C24 | 121.6° | 117.7° |
| C8 | C9 | C10 | 130.7° | 124.1° |
| C8 | C9 | HC9 | 110.2° | 117.7° |
| C8 | C24 | H241 | 115.1° | 109.5° |
| C8 | C24 | H242 | 110.2° | 109.5° |
| C8 | C24 | H243 | 110.2° | 109.5° |
| C10 | C9 | HC9 | 119.0° | 118.2° |
| C9 | C10 | C11 | 123.7° | 120.7° |
| C9 | C10 | H10 | 123.3° | 120.6° |
| C11 | C10 | H10 | 113.0° | 118.7° |
| C10 | C11 | C13 | 130.7° | 120.1° |
| C10 | C11 | H11 | 105.9° | 120.0° |
| C13 | C11 | H11 | 123.4° | 120.0° |
| C11 | C13 | C14 | 115.5° | 111.3° |
| C11 | C13 | C31 | 104.3° | 108.2° |
| C11 | C13 | H13 | 110.5° | 108.4° |
| C23 | C12 | N4 | 113.6° | 115.0° |
| C12 | C23 | C38 | 119.0° | 120.9° |
| C12 | C23 | N2 | 115.6° | 121.0° |
| C12 | N4 | HN4 | 117.0° | 122.4° |
| C14 | C13 | C31 | 113.6° | 109.4° |
| C14 | C13 | H13 | 100.6° | 110.6° |
| C13 | C14 | C15 | 120.7° | 111.2° |
| C13 | C14 | O10 | 103.7° | 109.7° |
| C13 | C14 | H14 | 106.5° | 108.9° |
| C31 | C13 | H13 | 112.6° | 109.0° |
| C13 | C31 | H311 | 104.3° | 109.5° |
| C13 | C31 | H312 | 114.2° | 109.4° |
| C13 | C31 | H313 | 114.2° | 109.5° |
| C15 | C14 | O10 | 111.1° | 109.8° |
| C15 | C14 | H14 | 98.5° | 108.5° |
| C14 | C15 | C16 | 115.7° | 109.1° |
| C14 | C15 | C32 | 112.0° | 110.5° |
| C14 | C15 | H15 | 102.3° | 108.4° |
| O10 | C14 | H14 | 117.1° | 108.7° |
| C14 | O10 | H10O | 103.7° | 106.8° |
| C16 | C15 | C32 | 106.5° | 113.3° |
| C16 | C15 | H15 | 108.2° | 107.4° |
| C15 | C16 | C17 | 119.6° | 114.8° |
| C15 | C16 | O9 | 110.5° | 108.7° |
| C15 | C16 | H16 | 100.0° | 108.0° |
| C32 | C15 | H15 | 112.2° | 108.1° |
| C15 | C32 | H321 | 112.0° | 109.5° |
| C15 | C32 | H322 | 111.2° | 109.5° |
| C15 | C32 | H323 | 111.3° | 109.5° |
| C17 | C16 | O9 | 104.9° | 109.6° |
| C17 | C16 | H16 | 106.2° | 108.3° |
| C16 | C17 | C18 | 112.3° | 108.6° |
| C16 | C17 | C33 | 111.5° | 110.2° |
| C16 | C17 | H17 | 106.3° | 112.6° |
| O9 | C16 | H16 | 116.1° | 107.2° |
| C16 | O9 | HO9 | 110.5° | 106.8° |
| C18 | C17 | C33 | 110.2° | 108.0° |
| C18 | C17 | H17 | 107.7° | 106.8° |
| C17 | C18 | C19 | 114.3° | 109.4° |
| C17 | C18 | O7 | 109.2° | 109.5° |
| C17 | C18 | H18 | 106.4° | 108.8° |
| C33 | C17 | H17 | 108.6° | 110.5° |
| C17 | C33 | H331 | 111.5° | 109.5° |
| C17 | C33 | H332 | 111.5° | 109.5° |
| C17 | C33 | H333 | 111.5° | 109.5° |
| C19 | C18 | O7 | 109.5° | 110.7° |
| C19 | C18 | H18 | 106.0° | 109.0° |
| C18 | C19 | C20 | 114.8° | 111.9° |
| C18 | C19 | C34 | 107.3° | 109.0° |
| C18 | C19 | H19 | 107.9° | 109.3° |
| O7 | C18 | H18 | 111.4° | 109.3° |
| C18 | O7 | C35 | 124.4° | 120.0° |
| C20 | C19 | C34 | 111.0° | 109.2° |
| C20 | C19 | H19 | 104.0° | 109.2° |
| C19 | C20 | C21 | 115.0° | 109.7° |
| C19 | C20 | O6 | 108.0° | 109.4° |
| C19 | C20 | H20 | 106.8° | 110.8° |
| C34 | C19 | H19 | 111.9° | 108.2° |
| C19 | C34 | H341 | 107.2° | 109.5° |
| C19 | C34 | H342 | 113.0° | 109.4° |
| C19 | C34 | H343 | 113.0° | 109.5° |
| C21 | C20 | O6 | 109.6° | 109.2° |
| C21 | C20 | H20 | 105.1° | 108.7° |
| C20 | C21 | C22 | 123.3° | 119.7° |
| C20 | C21 | H21 | 125.3° | 120.4° |
| O6 | C20 | H20 | 112.5° | 109.1° |
| C20 | O6 | C37 | 113.2° | 106.8° |
| C22 | C21 | H21 | 111.4° | 119.9° |
| C21 | C22 | O5 | 126.9° | 119.6° |
| C21 | C22 | H22 | 111.7° | 119.0° |
| O5 | C22 | H22 | 121.5° | 121.5° |
| C38 | C23 | N2 | 125.4° | 118.2° |
| C23 | C38 | O17 | 115.8° | 117.1° |
| C23 | N2 | C26 | 115.4° | 121.3° |
| C23 | N2 | C29 | 111.9° | 121.3° |
| H241 | C24 | H242 | 110.1° | 109.5° |
| H241 | C24 | H243 | 110.1° | 109.5° |
| H242 | C24 | H243 | 100.1° | 109.4° |
| C27 | C26 | N2 | 110.0° | 108.2° |
| C27 | C26 | H261 | 112.0° | 109.7° |
| C27 | C26 | H262 | 112.0° | 109.7° |
| C26 | C27 | O18 | 110.1° | 109.6° |
| C26 | C27 | H271 | 112.0° | 109.5° |
| C26 | C27 | H272 | 112.0° | 109.4° |
| N2 | C26 | H261 | 112.1° | 109.7° |
| N2 | C26 | H262 | 112.0° | 109.7° |
| C26 | N2 | C29 | 110.7° | 117.4° |
| H261 | C26 | H262 | 98.4° | 109.8° |
| O18 | C27 | H271 | 112.0° | 109.5° |
| O18 | C27 | H272 | 112.0° | 109.4° |
| C27 | O18 | C28 | 113.1° | 107.8° |
| H271 | C27 | H272 | 98.4° | 109.4° |
| C29 | C28 | O18 | 110.2° | 109.7° |
| C29 | C28 | H281 | 111.9° | 109.5° |
| C29 | C28 | H282 | 111.9° | 109.3° |
| C28 | C29 | N2 | 111.1° | 108.4° |
| C28 | C29 | H291 | 111.6° | 109.7° |
| C28 | C29 | H292 | 111.5° | 109.7° |
| O18 | C28 | H281 | 111.9° | 109.5° |
| O18 | C28 | H282 | 111.9° | 109.5° |
| H281 | C28 | H282 | 98.5° | 109.4° |
| N2 | C29 | H291 | 111.6° | 109.8° |
| N2 | C29 | H292 | 111.6° | 109.4° |
| H291 | C29 | H292 | 98.9° | 109.8° |
| H311 | C31 | H312 | 114.2° | 109.5° |
| H311 | C31 | H313 | 114.1° | 109.5° |
| H312 | C31 | H313 | 96.3° | 109.5° |
| H321 | C32 | H322 | 111.2° | 109.5° |
| H321 | C32 | H323 | 111.3° | 109.4° |
| H322 | C32 | H323 | 99.1° | 109.5° |
| H331 | C33 | H332 | 111.5° | 109.5° |
| H331 | C33 | H333 | 111.4° | 109.4° |
| H332 | C33 | H333 | 98.8° | 109.5° |
| H341 | C34 | H342 | 113.1° | 109.4° |
| H341 | C34 | H343 | 113.0° | 109.5° |
| H342 | C34 | H343 | 97.4° | 109.5° |
| C36 | C35 | O7 | 112.4° | 120.0° |
| C36 | C35 | O8 | 124.5° | 120.0° |
| C35 | C36 | O19 | 113.2° | 109.5° |
| C35 | C36 | H361 | 110.9° | 109.5° |
| C35 | C36 | H362 | 110.9° | 109.5° |
| O7 | C35 | O8 | 123.1° | 120.0° |
| O19 | C36 | H361 | 110.8° | 109.4° |
| O19 | C36 | H362 | 110.8° | 109.5° |
| C36 | O19 | C44 | 121.9° | 120.0° |
| H361 | C36 | H362 | 99.5° | 109.5° |
| O6 | C37 | H371 | 113.3° | 109.5° |
| O6 | C37 | H372 | 110.8° | 109.5° |
| O6 | C37 | H373 | 110.8° | 109.5° |
| H371 | C37 | H372 | 110.9° | 109.4° |
| H371 | C37 | H373 | 110.8° | 109.5° |
| H372 | C37 | H373 | 99.5° | 109.5° |
| C38 | O17 | H17O | 122.6° | 106.8° |
| C39 | C40 | C41 | 127.1° | 120.3° |
| C39 | C40 | O3 | 111.2° | 111.4° |
| C41 | C40 | O3 | 121.7° | 128.3° |
| C40 | C41 | C42 | 116.9° | 119.0° |
| C41 | C42 | C43 | 119.9° | 119.1° |
| C41 | C42 | O2 | 120.0° | 119.8° |
| C43 | C42 | O2 | 120.1° | 121.1° |
| C42 | C43 | H43 | 20.1° | 103.7° |
| C42 | O2 | HO2 | 120.0° | 120.1° |
| C45 | C44 | O19 | 112.1° | 120.0° |
| C45 | C44 | O20 | 125.2° | 120.1° |
| C44 | C45 | C54 | 122.3° | 109.4° |
| C44 | C45 | H451 | 107.7° | 109.5° |
| C44 | C45 | H452 | 107.7° | 109.5° |
| O19 | C44 | O20 | 122.7° | 120.0° |
| C54 | C45 | H451 | 107.6° | 109.4° |
| C54 | C45 | H452 | 107.6° | 109.5° |
| C45 | C54 | C52 | 120.4° | 119.2° |
| C45 | C54 | C55 | 120.1° | 119.1° |
| H451 | C45 | H452 | 102.2° | 109.5° |
| C50 | N6 | C51 | 119.9° | 120.1° |
| C50 | N6 | C52 | 120.6° | 120.1° |
| N6 | C50 | H501 | 119.9° | 109.4° |
| N6 | C50 | H502 | 108.4° | 109.5° |
| N6 | C50 | H503 | 108.5° | 109.5° |
| C51 | N6 | C52 | 119.6° | 119.7° |
| N6 | C51 | C53 | 120.3° | 120.5° |
| N6 | C51 | H51 | 120.2° | 119.7° |
| N6 | C52 | C54 | 120.5° | 120.6° |
| N6 | C52 | H52 | 119.9° | 119.7° |
| H501 | C50 | H502 | 108.5° | 109.4° |
| H501 | C50 | H503 | 108.5° | 109.5° |
| H502 | C50 | H503 | 101.5° | 109.5° |
| C53 | C51 | H51 | 119.4° | 119.8° |
| C51 | C53 | C55 | 119.4° | 121.8° |
| C51 | C53 | H53 | 120.0° | 119.1° |
| C54 | C52 | H52 | 119.6° | 119.7° |
| C52 | C54 | C55 | 118.8° | 121.7° |
| C55 | C53 | H53 | 120.5° | 119.1° |
| C53 | C55 | C54 | 121.3° | 111.2° |
| C53 | C55 | H55 | 108.0° | 109.2° |
| C53 | C55 | H551 | 108.0° | 109.2° |
| C54 | C55 | H55 | 108.0° | 108.7° |
| C54 | C55 | H551 | 108.0° | 109.5° |
| H55 | C55 | H551 | 101.9° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C1 | C43 | O1 | 177.5° | 179.8° |
| C12 | C1 | C43 | C2 | 0.1° | 33.0° |
| C1 | C12 | N4 | C7 | 2.9° | 117.9° |
| C1 | C12 | C23 | N4 | 174.5° | 178.0° |
| C1 | C12 | C23 | C38 | 5.5° | 14.9° |
| C1 | C12 | C23 | N2 | 172.0° | 166.3° |
| C12 | C1 | C43 | C42 | 179.9° | 165.8° |
| C12 | C1 | C43 | H43 | 158.0° | 80.2° |
| C1 | C12 | N4 | HN4 | 177.2° | 62.0° |
| C12 | C1 | O1 | HO1 | 180.0° | 0.2° |
| C1 | C43 | C2 | C38 | 0.7° | 42.7° |
| C1 | C43 | C2 | C39 | 179.4° | 167.8° |
| C1 | C43 | C2 | C42 | 179.8° | 136.2° |
| C1 | C43 | C2 | H43 | 162.1° | 112.9° |
| C1 | C43 | C2 | HC2 | 2.3° | 76.9° |
| C43 | C1 | C12 | C23 | 3.1° | 3.4° |
| C43 | C1 | C12 | N4 | 176.9° | 178.8° |
| C1 | C43 | C42 | C41 | 179.6° | 174.9° |
| C1 | C43 | C42 | H43 | 121.0° | 114.1° |
| C1 | C43 | C42 | O2 | 0.3° | 4.9° |
| C43 | C1 | O1 | HO1 | 2.6° | 180.0° |
| O1 | C1 | C43 | C2 | 177.5° | 147.2° |
| O1 | C1 | C12 | C23 | 174.4° | 176.8° |
| O1 | C1 | C12 | N4 | 0.5° | 1.0° |
| O1 | C1 | C43 | C42 | 2.7° | 14.4° |
| O1 | C1 | C43 | H43 | 19.5° | 99.6° |
| C38 | C2 | C39 | C43 | 179.9° | 121.8° |
| C38 | C2 | C39 | HC2 | 1.4° | 121.9° |
| C38 | C2 | C43 | HC2 | 3.0° | 119.5° |
| C38 | C2 | C39 | C3 | 0.1° | 20.4° |
| C2 | C38 | C23 | C12 | 4.9° | 1.2° |
| C2 | C38 | C23 | O17 | 179.6° | 178.1° |
| C2 | C38 | C23 | N2 | 172.3° | 179.9° |
| C38 | C2 | C39 | C40 | 179.2° | 160.1° |
| C38 | C2 | C43 | C42 | 179.6° | 178.8° |
| C38 | C2 | C43 | H43 | 161.4° | 70.3° |
| C2 | C38 | O17 | H17O | 180.0° | 171.5° |
| C39 | C2 | C43 | HC2 | 177.1° | 115.3° |
| C2 | C39 | C3 | C4 | 178.4° | 179.8° |
| C2 | C39 | C3 | C40 | 179.2° | 179.5° |
| C2 | C39 | C3 | O4 | 0.4° | 0.5° |
| C39 | C2 | C38 | C23 | 178.1° | 147.1° |
| C39 | C2 | C38 | O17 | 2.3° | 34.9° |
| C2 | C39 | C40 | C41 | 1.1° | 0.7° |
| C2 | C39 | C40 | O3 | 179.3° | 178.7° |
| C39 | C2 | C43 | C42 | 0.3° | 56.0° |
| C39 | C2 | C43 | H43 | 18.5° | 54.9° |
| C43 | C2 | C39 | C3 | 179.8° | 142.3° |
| C43 | C2 | C38 | C23 | 1.8° | 26.9° |
| C43 | C2 | C38 | O17 | 177.8° | 155.0° |
| C43 | C2 | C39 | C40 | 0.7° | 38.3° |
| C2 | C43 | C42 | C41 | 0.2° | 40.3° |
| C2 | C43 | C42 | H43 | 59.2° | 111.3° |
| C2 | C43 | C42 | O2 | 180.0° | 139.5° |
| HC2 | C2 | C39 | C3 | 1.5° | 101.5° |
| HC2 | C2 | C38 | C23 | 179.5° | 92.1° |
| HC2 | C2 | C38 | O17 | 0.1° | 85.9° |
| HC2 | C2 | C39 | C40 | 179.4° | 77.9° |
| HC2 | C2 | C43 | C42 | 177.4° | 59.3° |
| HC2 | C2 | C43 | H43 | 164.4° | 170.2° |
| C4 | C3 | C39 | O4 | 178.8° | 179.3° |
| C3 | C4 | C5 | O3 | 118.7° | 114.4° |
| C3 | C4 | C5 | O5 | 125.1° | 123.2° |
| C3 | C4 | O3 | O5 | 118.3° | 118.2° |
| C3 | C4 | C5 | HC51 | 180.0° | 177.5° |
| C3 | C4 | C5 | HC52 | 54.7° | 57.5° |
| C3 | C4 | C5 | HC53 | 54.7° | 62.5° |
| C3 | C4 | O5 | C22 | 29.3° | 44.8° |
| C4 | C3 | C39 | C40 | 0.8° | 0.3° |
| C3 | C4 | O3 | C40 | 1.1° | 1.8° |
| C39 | C3 | C4 | C5 | 124.4° | 120.0° |
| C39 | C3 | C4 | O3 | 1.1° | 1.2° |
| C39 | C3 | C4 | O5 | 112.9° | 116.3° |
| C3 | C39 | C40 | C41 | 179.6° | 179.7° |
| C3 | C39 | C40 | O3 | 0.1° | 0.9° |
| O4 | C3 | C4 | C5 | 56.6° | 59.2° |
| O4 | C3 | C4 | O3 | 179.9° | 178.0° |
| O4 | C3 | C4 | O5 | 66.0° | 64.4° |
| O4 | C3 | C39 | C40 | 179.5° | 179.0° |
| C5 | C4 | O3 | O5 | 117.1° | 123.4° |
| C4 | C5 | HC51 | HC52 | 125.3° | 120.0° |
| C4 | C5 | HC51 | HC53 | 125.3° | 120.1° |
| C4 | C5 | HC52 | HC53 | 116.2° | 120.1° |
| C5 | C4 | O5 | C22 | 155.9° | 78.3° |
| C5 | C4 | O3 | C40 | 125.7° | 120.2° |
| O3 | C4 | C5 | HC51 | 61.4° | 63.1° |
| O3 | C4 | C5 | HC52 | 64.0° | 56.9° |
| O3 | C4 | C5 | HC53 | 173.4° | 176.9° |
| O3 | C4 | O5 | C22 | 83.7° | 158.6° |
| C4 | O3 | C40 | C39 | 0.7° | 1.8° |
| C4 | O3 | C40 | C41 | 179.6° | 178.9° |
| O5 | C4 | C5 | HC51 | 54.9° | 59.3° |
| O5 | C4 | C5 | HC52 | 179.8° | 179.3° |
| O5 | C4 | C5 | HC53 | 70.4° | 60.7° |
| C4 | O5 | C22 | C21 | 77.1° | 154.4° |
| C4 | O5 | C22 | H22 | 102.9° | 26.4° |
| O5 | C4 | O3 | C40 | 117.2° | 116.4° |
| HC51 | C5 | HC52 | HC53 | 116.2° | 120.0° |
| C41 | C6 | HC61 | HC62 | 125.3° | 120.0° |
| C41 | C6 | HC61 | HC63 | 125.2° | 119.9° |
| C41 | C6 | HC62 | HC63 | 112.6° | 120.0° |
| C6 | C41 | C40 | C39 | 179.9° | 159.4° |
| C6 | C41 | C40 | C42 | 179.2° | 180.0° |
| C6 | C41 | C40 | O3 | 0.2° | 19.9° |
| C6 | C41 | C42 | C43 | 179.7° | 179.4° |
| C6 | C41 | C42 | O2 | 0.5° | 0.9° |
| HC61 | C6 | HC62 | HC63 | 112.6° | 120.1° |
| HC61 | C6 | C41 | C40 | 180.0° | 125.0° |
| HC61 | C6 | C41 | C42 | 0.8° | 55.0° |
| HC62 | C6 | C41 | C40 | 54.7° | 5.0° |
| HC62 | C6 | C41 | C42 | 126.1° | 175.0° |
| HC63 | C6 | C41 | C40 | 54.8° | 115.0° |
| HC63 | C6 | C41 | C42 | 124.4° | 65.0° |
| C8 | C7 | N4 | O16 | 177.5° | 179.3° |
| C7 | C8 | C9 | C24 | 179.7° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 1.7° |
| C7 | C8 | C9 | HC9 | 180.0° | 178.0° |
| C8 | C7 | N4 | C12 | 177.4° | 157.8° |
| C7 | C8 | C24 | H241 | 180.0° | 90.0° |
| C7 | C8 | C24 | H242 | 54.8° | 150.0° |
| C7 | C8 | C24 | H243 | 54.8° | 30.0° |
| C8 | C7 | N4 | HN4 | 2.6° | 22.3° |
| N4 | C7 | C8 | C9 | 69.0° | 165.0° |
| N4 | C7 | C8 | C24 | 111.3° | 14.8° |
| C7 | N4 | C12 | C23 | 177.2° | 64.3° |
| C7 | N4 | C12 | HN4 | 180.0° | 179.9° |
| O16 | C7 | C8 | C9 | 108.7° | 14.3° |
| O16 | C7 | C8 | C24 | 71.0° | 165.9° |
| O16 | C7 | N4 | C12 | 0.1° | 21.5° |
| O16 | C7 | N4 | HN4 | 179.9° | 158.5° |
| C8 | C9 | C10 | HC9 | 180.0° | 179.6° |
| C8 | C9 | C10 | C11 | 165.5° | 163.2° |
| C8 | C9 | C10 | H10 | 14.5° | 18.8° |
| C9 | C8 | C24 | H241 | 0.3° | 90.1° |
| C9 | C8 | C24 | H242 | 125.5° | 29.9° |
| C9 | C8 | C24 | H243 | 125.0° | 149.9° |
| C24 | C8 | C9 | C10 | 179.8° | 178.4° |
| C24 | C8 | C9 | HC9 | 0.2° | 1.9° |
| C8 | C24 | H241 | H242 | 125.2° | 120.1° |
| C8 | C24 | H241 | H243 | 125.3° | 120.0° |
| C8 | C24 | H242 | H243 | 116.1° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 178.0° |
| C9 | C10 | C11 | C13 | 172.4° | 179.8° |
| C9 | C10 | C11 | H11 | 7.6° | 0.2° |
| HC9 | C9 | C10 | C11 | 14.5° | 16.5° |
| HC9 | C9 | C10 | H10 | 165.5° | 161.5° |
| C10 | C11 | C13 | H11 | 180.0° | 180.0° |
| C10 | C11 | C13 | C14 | 10.0° | 70.9° |
| C10 | C11 | C13 | C31 | 135.4° | 168.9° |
| C10 | C11 | C13 | H13 | 103.4° | 50.9° |
| H10 | C10 | C11 | C13 | 7.6° | 2.2° |
| H10 | C10 | C11 | H11 | 172.4° | 177.8° |
| C11 | C13 | C14 | C31 | 120.4° | 119.4° |
| C11 | C13 | C14 | H13 | 119.0° | 120.5° |
| C11 | C13 | C31 | H13 | 119.9° | 117.6° |
| C11 | C13 | C14 | C15 | 163.0° | 166.8° |
| C11 | C13 | C14 | O10 | 71.8° | 45.1° |
| C11 | C13 | C14 | H14 | 52.3° | 73.7° |
| C11 | C13 | C31 | H311 | 180.0° | 60.0° |
| C11 | C13 | C31 | H312 | 54.7° | 180.0° |
| C11 | C13 | C31 | H313 | 54.7° | 60.0° |
| H11 | C11 | C13 | C14 | 170.0° | 109.1° |
| H11 | C11 | C13 | C31 | 44.6° | 11.1° |
| H11 | C11 | C13 | H13 | 76.6° | 129.1° |
| C12 | C23 | C38 | N2 | 177.2° | 178.9° |
| C12 | C23 | N2 | C26 | 115.9° | 136.7° |
| C12 | C23 | N2 | C29 | 116.3° | 43.5° |
| C12 | C23 | C38 | O17 | 174.7° | 176.9° |
| C23 | C12 | N4 | HN4 | 2.9° | 115.8° |
| N4 | C12 | C23 | C38 | 180.0° | 163.1° |
| N4 | C12 | C23 | N2 | 2.6° | 15.7° |
| C14 | C13 | C31 | H13 | 113.5° | 121.0° |
| C13 | C14 | C15 | O10 | 121.6° | 121.6° |
| C13 | C14 | C15 | H14 | 115.0° | 119.7° |
| C13 | C14 | O10 | H14 | 117.0° | 119.0° |
| C13 | C14 | C15 | C16 | 178.8° | 170.2° |
| C13 | C14 | C15 | C32 | 58.9° | 64.7° |
| C13 | C14 | C15 | H15 | 61.4° | 53.5° |
| C14 | C13 | C31 | H311 | 53.4° | 178.6° |
| C14 | C13 | C31 | H312 | 71.9° | 58.6° |
| C14 | C13 | C31 | H313 | 178.7° | 61.4° |
| C13 | C14 | O10 | H10O | 180.0° | 54.1° |
| C31 | C13 | C14 | C15 | 42.6° | 73.8° |
| C31 | C13 | C14 | O10 | 167.7° | 164.6° |
| C31 | C13 | C14 | H14 | 68.2° | 45.7° |
| C13 | C31 | H311 | H312 | 125.3° | 120.0° |
| C13 | C31 | H311 | H313 | 125.3° | 120.0° |
| C13 | C31 | H312 | H313 | 120.1° | 120.0° |
| H13 | C13 | C14 | C15 | 77.9° | 46.2° |
| H13 | C13 | C14 | O10 | 47.2° | 75.4° |
| H13 | C13 | C14 | H14 | 171.3° | 165.7° |
| H13 | C13 | C31 | H311 | 60.1° | 57.6° |
| H13 | C13 | C31 | H312 | 174.6° | 62.4° |
| H13 | C13 | C31 | H313 | 65.1° | 177.6° |
| C15 | C14 | O10 | H14 | 112.0° | 118.6° |
| C14 | C15 | C16 | C32 | 125.2° | 123.5° |
| C14 | C15 | C16 | H15 | 114.0° | 117.3° |
| C14 | C15 | C32 | H15 | 114.3° | 118.4° |
| C14 | C15 | C16 | C17 | 71.2° | 114.2° |
| C14 | C15 | C16 | O9 | 50.7° | 122.7° |
| C14 | C15 | C16 | H16 | 173.6° | 6.7° |
| C14 | C15 | C32 | H321 | 180.0° | 60.0° |
| C14 | C15 | C32 | H322 | 54.7° | 180.0° |
| C14 | C15 | C32 | H323 | 54.7° | 59.9° |
| C15 | C14 | O10 | H10O | 48.9° | 176.6° |
| O10 | C14 | C15 | C16 | 59.6° | 68.2° |
| O10 | C14 | C15 | C32 | 62.7° | 57.0° |
| O10 | C14 | C15 | H15 | 177.0° | 175.2° |
| H14 | C14 | C15 | C16 | 63.8° | 50.5° |
| H14 | C14 | C15 | C32 | 173.9° | 175.6° |
| H14 | C14 | C15 | H15 | 53.6° | 66.2° |
| H14 | C14 | O10 | H10O | 63.0° | 64.9° |
| C16 | C15 | C32 | H15 | 118.3° | 118.8° |
| C15 | C16 | C17 | O9 | 124.7° | 122.6° |
| C15 | C16 | C17 | H16 | 111.9° | 120.8° |
| C15 | C16 | O9 | H16 | 112.9° | 116.6° |
| C15 | C16 | C17 | C18 | 170.1° | 163.3° |
| C15 | C16 | C17 | C33 | 45.9° | 78.6° |
| C15 | C16 | C17 | H17 | 72.3° | 45.2° |
| C16 | C15 | C32 | H321 | 52.6° | 62.8° |
| C16 | C15 | C32 | H322 | 177.8° | 57.2° |
| C16 | C15 | C32 | H323 | 72.7° | 177.3° |
| C15 | C16 | O9 | HO9 | 180.0° | 60.0° |
| C32 | C15 | C16 | C17 | 163.6° | 9.3° |
| C32 | C15 | C16 | O9 | 74.5° | 113.8° |
| C32 | C15 | C16 | H16 | 48.4° | 130.2° |
| C15 | C32 | H321 | H322 | 125.2° | 120.0° |
| C15 | C32 | H321 | H323 | 125.3° | 120.0° |
| C15 | C32 | H322 | H323 | 117.2° | 120.1° |
| H15 | C15 | C16 | C17 | 42.7° | 128.5° |
| H15 | C15 | C16 | O9 | 164.7° | 5.5° |
| H15 | C15 | C16 | H16 | 72.4° | 110.5° |
| H15 | C15 | C32 | H321 | 65.6° | 178.4° |
| H15 | C15 | C32 | H322 | 59.6° | 61.6° |
| H15 | C15 | C32 | H323 | 169.1° | 58.5° |
| C17 | C16 | O9 | H16 | 116.9° | 117.3° |
| C16 | C17 | C18 | C33 | 124.9° | 119.5° |
| C16 | C17 | C18 | H17 | 116.8° | 121.7° |
| C16 | C17 | C33 | H17 | 116.8° | 125.0° |
| C16 | C17 | C18 | C19 | 143.4° | 175.1° |
| C16 | C17 | C18 | O7 | 93.6° | 63.4° |
| C16 | C17 | C18 | H18 | 26.8° | 56.1° |
| C16 | C17 | C33 | H331 | 180.0° | 60.0° |
| C16 | C17 | C33 | H332 | 54.7° | 180.0° |
| C16 | C17 | C33 | H333 | 54.7° | 60.0° |
| C17 | C16 | O9 | HO9 | 49.8° | 173.8° |
| O9 | C16 | C17 | C18 | 65.2° | 40.7° |
| O9 | C16 | C17 | C33 | 170.6° | 158.8° |
| O9 | C16 | C17 | H17 | 52.4° | 77.4° |
| H16 | C16 | C17 | C18 | 58.3° | 76.0° |
| H16 | C16 | C17 | C33 | 66.0° | 42.2° |
| H16 | C16 | C17 | H17 | 175.9° | 166.0° |
| H16 | C16 | O9 | HO9 | 67.1° | 56.5° |
| C18 | C17 | C33 | H17 | 117.8° | 116.5° |
| C17 | C18 | C19 | O7 | 122.8° | 120.8° |
| C17 | C18 | C19 | H18 | 116.8° | 118.9° |
| C17 | C18 | O7 | H18 | 117.2° | 119.1° |
| C17 | C18 | C19 | C20 | 179.2° | 100.9° |
| C17 | C18 | C19 | C34 | 57.0° | 138.3° |
| C17 | C18 | C19 | H19 | 63.8° | 20.1° |
| C18 | C17 | C33 | H331 | 54.6° | 58.5° |
| C18 | C17 | C33 | H332 | 179.9° | 61.5° |
| C18 | C17 | C33 | H333 | 70.7° | 178.5° |
| C17 | C18 | O7 | C35 | 118.0° | 150.0° |
| C33 | C17 | C18 | C19 | 91.7° | 65.4° |
| C33 | C17 | C18 | O7 | 31.3° | 56.1° |
| C33 | C17 | C18 | H18 | 151.7° | 175.6° |
| C17 | C33 | H331 | H332 | 125.3° | 120.0° |
| C17 | C33 | H331 | H333 | 125.3° | 120.0° |
| C17 | C33 | H332 | H333 | 117.4° | 120.1° |
| H17 | C17 | C18 | C19 | 26.6° | 53.4° |
| H17 | C17 | C18 | O7 | 149.7° | 174.9° |
| H17 | C17 | C18 | H18 | 90.0° | 65.6° |
| H17 | C17 | C33 | H331 | 63.2° | 175.0° |
| H17 | C17 | C33 | H332 | 62.1° | 55.0° |
| H17 | C17 | C33 | H333 | 171.5° | 65.0° |
| C19 | C18 | O7 | H18 | 117.0° | 120.2° |
| C18 | C19 | C20 | C34 | 121.8° | 120.8° |
| C18 | C19 | C20 | H19 | 117.6° | 121.1° |
| C18 | C19 | C34 | H19 | 118.2° | 118.8° |
| C18 | C19 | C20 | C21 | 168.5° | 131.0° |
| C18 | C19 | C20 | O6 | 68.8° | 109.3° |
| C18 | C19 | C20 | H20 | 52.3° | 11.0° |
| C18 | C19 | C34 | H341 | 180.0° | 60.0° |
| C18 | C19 | C34 | H342 | 54.7° | 180.0° |
| C18 | C19 | C34 | H343 | 54.7° | 60.0° |
| C19 | C18 | O7 | C35 | 116.2° | 89.3° |
| O7 | C18 | C19 | C20 | 56.4° | 19.9° |
| O7 | C18 | C19 | C34 | 179.8° | 101.0° |
| O7 | C18 | C19 | H19 | 59.1° | 140.9° |
| C18 | O7 | C35 | C36 | 179.7° | 180.0° |
| C18 | O7 | C35 | O8 | 0.1° | 0.0° |
| H18 | C18 | C19 | C20 | 64.0° | 140.2° |
| H18 | C18 | C19 | C34 | 59.8° | 19.4° |
| H18 | C18 | C19 | H19 | 179.4° | 98.8° |
| H18 | C18 | O7 | C35 | 0.8° | 30.9° |
| C20 | C19 | C34 | H19 | 115.8° | 118.7° |
| C19 | C20 | C21 | O6 | 121.8° | 119.8° |
| C19 | C20 | C21 | H20 | 117.1° | 121.3° |
| C19 | C20 | O6 | H20 | 117.5° | 121.3° |
| C19 | C20 | C21 | C22 | 76.5° | 167.7° |
| C19 | C20 | C21 | H21 | 103.5° | 12.0° |
| C20 | C19 | C34 | H341 | 53.9° | 177.5° |
| C20 | C19 | C34 | H342 | 71.4° | 57.5° |
| C20 | C19 | C34 | H343 | 179.2° | 62.5° |
| C19 | C20 | O6 | C37 | 129.4° | 144.6° |
| C34 | C19 | C20 | C21 | 69.7° | 108.2° |
| C34 | C19 | C20 | O6 | 53.0° | 11.5° |
| C34 | C19 | C20 | H20 | 174.1° | 131.8° |
| C19 | C34 | H341 | H342 | 125.3° | 120.0° |
| C19 | C34 | H341 | H343 | 125.2° | 120.1° |
| C19 | C34 | H342 | H343 | 118.9° | 120.0° |
| H19 | C19 | C20 | C21 | 50.8° | 9.9° |
| H19 | C19 | C20 | O6 | 173.5° | 129.6° |
| H19 | C19 | C20 | H20 | 65.3° | 110.1° |
| H19 | C19 | C34 | H341 | 61.8° | 58.8° |
| H19 | C19 | C34 | H342 | 172.9° | 61.2° |
| H19 | C19 | C34 | H343 | 63.4° | 178.8° |
| C21 | C20 | O6 | H20 | 116.5° | 118.6° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C20 | C21 | C22 | O5 | 169.2° | 179.9° |
| C20 | C21 | C22 | H22 | 10.8° | 0.8° |
| C21 | C20 | O6 | C37 | 104.7° | 95.4° |
| O6 | C20 | C21 | C22 | 161.7° | 72.5° |
| O6 | C20 | C21 | H21 | 18.3° | 107.8° |
| C20 | O6 | C37 | H371 | 179.9° | 174.7° |
| C20 | O6 | C37 | H372 | 54.7° | 65.3° |
| C20 | O6 | C37 | H373 | 54.8° | 54.7° |
| H20 | C20 | C21 | C22 | 40.6° | 46.3° |
| H20 | C20 | C21 | H21 | 139.4° | 133.4° |
| H20 | C20 | O6 | C37 | 11.9° | 23.3° |
| C21 | C22 | O5 | H22 | 179.9° | 179.2° |
| H21 | C21 | C22 | O5 | 10.8° | 0.2° |
| H21 | C21 | C22 | H22 | 169.3° | 179.5° |
| C38 | C23 | N2 | C26 | 66.8° | 44.4° |
| C38 | C23 | N2 | C29 | 61.0° | 135.3° |
| C23 | C38 | O17 | H17O | 0.4° | 6.6° |
| C23 | N2 | C26 | C27 | 172.2° | 132.9° |
| C23 | N2 | C26 | C29 | 128.4° | 179.8° |
| C23 | N2 | C26 | H261 | 46.9° | 107.4° |
| C23 | N2 | C26 | H262 | 62.6° | 13.3° |
| C23 | N2 | C29 | C28 | 170.8° | 133.0° |
| C23 | N2 | C29 | H291 | 64.0° | 13.1° |
| C23 | N2 | C29 | H292 | 45.6° | 107.4° |
| N2 | C23 | C38 | O17 | 8.1° | 2.0° |
| H241 | C24 | H242 | H243 | 115.9° | 120.0° |
| C27 | C26 | N2 | H261 | 125.2° | 119.6° |
| C27 | C26 | N2 | H262 | 125.3° | 119.7° |
| C27 | C26 | H261 | H262 | 117.9° | 120.6° |
| C26 | C27 | O18 | H271 | 125.3° | 120.1° |
| C26 | C27 | O18 | H272 | 125.3° | 120.0° |
| C26 | C27 | H271 | H272 | 117.9° | 119.9° |
| C26 | C27 | O18 | C28 | 54.5° | 68.7° |
| C27 | C26 | N2 | C29 | 59.5° | 46.8° |
| N2 | C26 | H261 | H262 | 118.0° | 120.7° |
| N2 | C26 | C27 | O18 | 56.4° | 55.8° |
| N2 | C26 | C27 | H271 | 178.3° | 175.9° |
| N2 | C26 | C27 | H272 | 68.9° | 64.2° |
| C26 | N2 | C29 | C28 | 59.0° | 46.8° |
| C26 | N2 | C29 | H291 | 66.3° | 166.6° |
| C26 | N2 | C29 | H292 | 175.8° | 72.9° |
| H261 | C26 | C27 | O18 | 178.3° | 63.8° |
| H261 | C26 | C27 | H271 | 53.0° | 56.3° |
| H261 | C26 | C27 | H272 | 56.4° | 176.2° |
| H261 | C26 | N2 | C29 | 175.3° | 72.8° |
| H262 | C26 | C27 | O18 | 68.8° | 175.5° |
| H262 | C26 | C27 | H271 | 56.4° | 64.4° |
| H262 | C26 | C27 | H272 | 165.9° | 55.5° |
| H262 | C26 | N2 | C29 | 65.8° | 166.5° |
| O18 | C27 | H271 | H272 | 117.9° | 119.9° |
| C27 | O18 | C28 | C29 | 53.5° | 68.6° |
| C27 | O18 | C28 | H281 | 71.8° | 171.2° |
| C27 | O18 | C28 | H282 | 178.8° | 51.3° |
| H271 | C27 | O18 | C28 | 179.8° | 171.2° |
| H272 | C27 | O18 | C28 | 70.8° | 51.3° |
| C29 | C28 | O18 | H281 | 125.3° | 120.2° |
| C29 | C28 | O18 | H282 | 125.3° | 119.9° |
| C29 | C28 | H281 | H282 | 117.9° | 119.7° |
| C28 | C29 | N2 | H291 | 125.2° | 119.9° |
| C28 | C29 | N2 | H292 | 125.2° | 119.6° |
| C28 | C29 | H291 | H292 | 117.5° | 120.6° |
| O18 | C28 | H281 | H282 | 117.8° | 119.9° |
| O18 | C28 | C29 | N2 | 55.0° | 55.6° |
| O18 | C28 | C29 | H291 | 70.2° | 175.5° |
| O18 | C28 | C29 | H292 | 179.7° | 63.8° |
| H281 | C28 | C29 | N2 | 70.2° | 175.8° |
| H281 | C28 | C29 | H291 | 164.6° | 64.3° |
| H281 | C28 | C29 | H292 | 55.0° | 56.4° |
| H282 | C28 | C29 | N2 | 179.7° | 64.4° |
| H282 | C28 | C29 | H291 | 55.1° | 55.5° |
| H282 | C28 | C29 | H292 | 54.5° | 176.2° |
| N2 | C29 | H291 | H292 | 117.6° | 120.3° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 117.2° | 119.9° |
| H331 | C33 | H332 | H333 | 117.3° | 119.9° |
| H341 | C34 | H342 | H343 | 119.0° | 120.0° |
| C36 | C35 | O7 | O8 | 179.6° | 180.0° |
| C35 | C36 | O19 | H361 | 125.3° | 120.0° |
| C35 | C36 | O19 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H362 | 116.8° | 120.0° |
| C35 | C36 | O19 | C44 | 105.7° | 180.0° |
| O7 | C35 | C36 | O19 | 22.9° | 180.0° |
| O7 | C35 | C36 | H361 | 148.1° | 60.0° |
| O7 | C35 | C36 | H362 | 102.3° | 60.0° |
| O8 | C35 | C36 | O19 | 157.5° | 0.0° |
| O8 | C35 | C36 | H361 | 32.3° | 120.0° |
| O8 | C35 | C36 | H362 | 77.3° | 120.0° |
| O19 | C36 | H361 | H362 | 116.7° | 120.0° |
| C36 | O19 | C44 | C45 | 136.6° | 180.0° |
| C36 | O19 | C44 | O20 | 43.4° | 0.0° |
| H361 | C36 | O19 | C44 | 129.1° | 60.0° |
| H362 | C36 | O19 | C44 | 19.6° | 60.0° |
| O6 | C37 | H371 | H372 | 125.3° | 120.0° |
| O6 | C37 | H371 | H373 | 125.2° | 120.0° |
| O6 | C37 | H372 | H373 | 116.6° | 120.0° |
| H371 | C37 | H372 | H373 | 116.7° | 120.0° |
| C39 | C40 | C41 | O3 | 179.6° | 179.3° |
| C39 | C40 | C41 | C42 | 0.9° | 20.6° |
| C40 | C41 | C42 | C43 | 0.4° | 0.6° |
| C40 | C41 | C42 | O2 | 179.7° | 179.1° |
| O3 | C40 | C41 | C42 | 179.5° | 160.1° |
| C41 | C42 | C43 | O2 | 179.8° | 179.7° |
| C41 | C42 | C43 | H43 | 59.4° | 71.1° |
| C41 | C42 | O2 | HO2 | 180.0° | 5.3° |
| C43 | C42 | O2 | HO2 | 0.2° | 175.0° |
| O2 | C42 | C43 | H43 | 120.8° | 109.2° |
| C45 | C44 | O19 | O20 | 180.0° | 180.0° |
| C44 | C45 | C54 | H451 | 125.3° | 119.9° |
| C44 | C45 | C54 | H452 | 125.3° | 120.0° |
| C44 | C45 | H451 | H452 | 113.2° | 120.1° |
| C44 | C45 | C54 | C52 | 94.5° | 95.0° |
| C44 | C45 | C54 | C55 | 75.7° | 85.3° |
| O19 | C44 | C45 | C54 | 179.7° | 180.0° |
| O19 | C44 | C45 | H451 | 54.5° | 60.1° |
| O19 | C44 | C45 | H452 | 55.0° | 60.0° |
| O20 | C44 | C45 | C54 | 0.3° | 0.0° |
| O20 | C44 | C45 | H451 | 125.5° | 119.9° |
| O20 | C44 | C45 | H452 | 125.0° | 120.0° |
| C54 | C45 | H451 | H452 | 113.2° | 120.0° |
| C45 | C54 | C52 | N6 | 170.2° | 179.6° |
| C45 | C54 | C52 | C55 | 170.3° | 179.7° |
| C45 | C54 | C52 | H52 | 9.8° | 0.4° |
| C45 | C54 | C55 | C53 | 170.3° | 164.0° |
| C45 | C54 | C55 | H55 | 64.4° | 75.8° |
| C45 | C54 | C55 | H551 | 45.0° | 43.3° |
| H451 | C45 | C54 | C52 | 30.8° | 25.0° |
| H451 | C45 | C54 | C55 | 159.0° | 154.7° |
| H452 | C45 | C54 | C52 | 140.2° | 145.0° |
| H452 | C45 | C54 | C55 | 49.6° | 34.7° |
| C50 | N6 | C51 | C52 | 179.9° | 180.0° |
| N6 | C50 | H501 | H502 | 125.2° | 119.9° |
| N6 | C50 | H501 | H503 | 125.3° | 120.0° |
| N6 | C50 | H502 | H503 | 114.1° | 120.0° |
| C50 | N6 | C51 | C53 | 179.9° | 162.3° |
| C50 | N6 | C51 | H51 | 0.2° | 17.6° |
| C50 | N6 | C52 | C54 | 179.8° | 162.4° |
| C50 | N6 | C52 | H52 | 0.2° | 17.6° |
| C51 | N6 | C50 | H501 | 180.0° | 89.9° |
| C51 | N6 | C50 | H502 | 54.8° | 30.0° |
| C51 | N6 | C50 | H503 | 54.7° | 150.0° |
| N6 | C51 | C53 | H51 | 179.9° | 179.9° |
| C51 | N6 | C52 | C54 | 0.0° | 17.6° |
| C51 | N6 | C52 | H52 | 179.9° | 162.4° |
| N6 | C51 | C53 | C55 | 0.0° | 0.0° |
| N6 | C51 | C53 | H53 | 180.0° | 179.7° |
| C52 | N6 | C50 | H501 | 0.2° | 90.1° |
| C52 | N6 | C50 | H502 | 125.4° | 150.0° |
| C52 | N6 | C50 | H503 | 125.2° | 30.0° |
| C52 | N6 | C51 | C53 | 0.0° | 17.6° |
| C52 | N6 | C51 | H51 | 179.9° | 162.4° |
| N6 | C52 | C54 | H52 | 180.0° | 180.0° |
| N6 | C52 | C54 | C55 | 0.1° | 0.1° |
| H501 | C50 | H502 | H503 | 114.2° | 120.1° |
| C51 | C53 | C55 | H53 | 180.0° | 179.7° |
| C51 | C53 | C55 | C54 | 0.0° | 15.7° |
| C51 | C53 | C55 | H55 | 125.3° | 104.3° |
| C51 | C53 | C55 | H551 | 125.3° | 136.6° |
| H51 | C51 | C53 | C55 | 180.0° | 179.9° |
| H51 | C51 | C53 | H53 | 0.0° | 0.3° |
| C52 | C54 | C55 | C53 | 0.0° | 15.7° |
| C52 | C54 | C55 | H55 | 125.2° | 104.5° |
| C52 | C54 | C55 | H551 | 125.3° | 136.4° |
| H52 | C52 | C54 | C55 | 179.9° | 179.9° |
| C53 | C55 | C54 | H55 | 125.3° | 120.2° |
| C53 | C55 | C54 | H551 | 125.3° | 120.8° |
| C53 | C55 | H55 | H551 | 113.6° | 119.2° |
| H53 | C53 | C55 | C54 | 180.0° | 164.1° |
| H53 | C53 | C55 | H55 | 54.7° | 76.0° |
| H53 | C53 | C55 | H551 | 54.8° | 43.1° |
| C54 | C55 | H55 | H551 | 113.6° | 119.3° |
