UIU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C52 | sing | 1.36Å | 1.36Å | |
| C53 | C52 | doub | 1.39Å | 1.41Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.41Å | Aromatic |
| C52 | C50 | sing | 1.39Å | 1.41Å | Aromatic |
| C54 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C50 | C49 | doub | 1.38Å | 1.41Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.41Å | Aromatic |
| C48 | C47 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C47 | C40 | sing | 1.53Å | 1.56Å | |
| C2 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| O10 | C39 | doub | 1.21Å | 1.23Å | |
| N5 | N6 | doub | 1.29Å | 1.38Å | Aromatic |
| N5 | C31 | sing | 1.35Å | 1.32Å | Aromatic |
| C32 | C31 | sing | 1.48Å | 1.50Å | |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| N6 | N4 | sing | 1.29Å | 1.34Å | Aromatic |
| C31 | C30 | doub | 1.36Å | 1.39Å | Aromatic |
| C36 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | N7 | sing | 1.40Å | 1.41Å | |
| O12 | C37 | doub | 1.21Å | 1.23Å | |
| C40 | C39 | sing | 1.51Å | 1.54Å | |
| C40 | N2 | sing | 1.47Å | 1.48Å | |
| C39 | N8 | sing | 1.35Å | 1.34Å | |
| C37 | N7 | sing | 1.35Å | 1.35Å | |
| C37 | C38 | sing | 1.51Å | 1.56Å | |
| N4 | C30 | sing | 1.35Å | 1.37Å | Aromatic |
| N4 | C28 | sing | 1.46Å | 1.46Å | |
| N2 | C42 | sing | 1.35Å | 1.34Å | |
| N8 | C38 | sing | 1.46Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C43 | C42 | sing | 1.51Å | 1.52Å | |
| C55 | C38 | sing | 1.53Å | 1.56Å | |
| C55 | C59 | sing | 1.53Å | 1.54Å | |
| C6 | C57 | sing | 1.53Å | 1.55Å | |
| C27 | C45 | sing | 1.53Å | 1.54Å | |
| O3 | C8 | doub | 1.21Å | 1.23Å | |
| C42 | O8 | doub | 1.21Å | 1.22Å | |
| C59 | S1 | sing | 1.81Å | 1.81Å | |
| C23 | C41 | sing | 1.53Å | 1.54Å | |
| O2 | C34 | doub | 1.21Å | 1.23Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C8 | C57 | sing | 1.51Å | 1.55Å | |
| C8 | C10 | sing | 1.51Å | 1.54Å | |
| C57 | C34 | sing | 1.51Å | 1.55Å | |
| C57 | F1 | sing | 1.40Å | 1.34Å | |
| C34 | O11 | sing | 1.34Å | 1.36Å | |
| C14 | C10 | sing | 1.54Å | 1.55Å | |
| C41 | C29 | sing | 1.53Å | 1.55Å | |
| C10 | C13 | sing | 1.53Å | 1.57Å | |
| O11 | C29 | sing | 1.45Å | 1.43Å | |
| S1 | C26 | sing | 1.81Å | 1.81Å | |
| C29 | C7 | sing | 1.54Å | 1.57Å | |
| C46 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | C9 | sing | 1.53Å | 1.55Å | |
| C13 | C9 | sing | 1.54Å | 1.59Å | |
| C13 | O5 | sing | 1.43Å | 1.43Å | |
| N1 | C44 | sing | 1.35Å | 1.39Å | |
| N1 | C19 | sing | 1.48Å | 1.46Å | |
| O13 | C44 | doub | 1.21Å | 1.23Å | |
| C44 | O1 | sing | 1.34Å | 1.35Å | |
| C9 | O4 | sing | 1.43Å | 1.43Å | |
| C9 | C5 | sing | 1.52Å | 1.57Å | |
| C7 | C19 | sing | 1.53Å | 1.55Å | |
| C7 | O1 | sing | 1.47Å | 1.42Å | |
| C7 | C1 | sing | 1.52Å | 1.55Å | |
| C19 | C35 | sing | 1.52Å | 1.58Å | |
| O4 | C15 | sing | 1.43Å | 1.43Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | O6 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C16 | O5 | sing | 1.43Å | 1.40Å | |
| C16 | O6 | sing | 1.43Å | 1.41Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| O14 | C12 | doub | 1.22Å | 1.23Å | |
| C5 | C56 | sing | 1.52Å | 1.58Å | |
| C12 | C35 | sing | 1.51Å | 1.55Å | |
| C12 | C56 | sing | 1.50Å | 1.55Å | |
| C21 | C18 | sing | 1.53Å | 1.54Å | |
| O7 | C17 | sing | 1.43Å | 1.42Å | |
| C35 | C51 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C18 | N3 | sing | 1.47Å | 1.55Å | |
| C56 | C58 | sing | 1.52Å | 1.55Å | |
| C25 | N3 | sing | 1.47Å | 1.54Å | |
| N3 | C24 | sing | 1.47Å | 1.54Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5_2 | sing | 1.10Å | 1.10Å | |
| C5 | H5_1 | sing | 1.10Å | 1.10Å | |
| C6 | H6_2 | sing | 1.09Å | 1.10Å | |
| C6 | H6_1 | sing | 1.09Å | 1.10Å | |
| C6 | H6_3 | sing | 1.09Å | 1.10Å | |
| C10 | HC10 | sing | 1.09Å | 1.10Å | |
| C13 | HC13 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | HC17 | sing | 1.09Å | 1.10Å | |
| C20 | HC20 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C1 | H1_3 | sing | 1.09Å | 1.10Å | |
| C1 | H1_2 | sing | 1.09Å | 1.10Å | |
| C1 | H1_1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.09Å | 1.10Å | |
| C18 | HC18 | sing | 1.09Å | 1.10Å | |
| C19 | HC19 | sing | 1.11Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | HC29 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.08Å | 1.08Å | |
| C33 | H9 | sing | 1.08Å | 1.08Å | |
| C35 | HC35 | sing | 1.09Å | 1.10Å | |
| C38 | HC38 | sing | 1.09Å | 1.10Å | |
| C40 | HC40 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C49 | H12 | sing | 1.08Å | 1.08Å | |
| C50 | H13 | sing | 1.08Å | 1.08Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H513 | sing | 1.09Å | 1.10Å | |
| C53 | H15 | sing | 1.08Å | 1.08Å | |
| C54 | H16 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | HC56 | sing | 1.12Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H583 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C52 | C53 | 120.5° | 120.0° |
| O9 | C52 | C50 | 119.5° | 120.1° |
| C52 | O9 | HO9 | 109.5° | 113.9° |
| C52 | C53 | C54 | 120.0° | 119.9° |
| C53 | C52 | C50 | 119.9° | 119.9° |
| C52 | C53 | H15 | 120.0° | 120.0° |
| C53 | C54 | C48 | 120.4° | 120.0° |
| C54 | C53 | H15 | 120.0° | 120.0° |
| C53 | C54 | H16 | 119.8° | 120.0° |
| C52 | C50 | C49 | 120.2° | 119.9° |
| C52 | C50 | H13 | 119.9° | 120.1° |
| C54 | C48 | C49 | 119.3° | 120.1° |
| C54 | C48 | C47 | 120.7° | 119.9° |
| C48 | C54 | H16 | 119.8° | 120.0° |
| C50 | C49 | C48 | 120.2° | 120.1° |
| C50 | C49 | H12 | 119.9° | 119.9° |
| C49 | C50 | H13 | 119.9° | 120.0° |
| C49 | C48 | C47 | 119.9° | 120.0° |
| C48 | C49 | H12 | 119.9° | 120.0° |
| C48 | C47 | C40 | 119.2° | 109.5° |
| C48 | C47 | H472 | 107.0° | 109.4° |
| C48 | C47 | H471 | 107.0° | 109.5° |
| C4 | C3 | C2 | 120.1° | 120.2° |
| C3 | C4 | C32 | 120.8° | 120.0° |
| C3 | C4 | H1 | 119.6° | 120.0° |
| C4 | C3 | H3 | 120.0° | 119.9° |
| C3 | C2 | C36 | 120.4° | 120.1° |
| C3 | C2 | H2 | 119.8° | 119.9° |
| C2 | C3 | H3 | 119.9° | 119.9° |
| C4 | C32 | C31 | 120.8° | 120.1° |
| C4 | C32 | C33 | 118.6° | 119.8° |
| C32 | C4 | H1 | 119.6° | 120.0° |
| C47 | C40 | C39 | 114.4° | 109.5° |
| C47 | C40 | N2 | 113.1° | 109.5° |
| C47 | C40 | HC40 | 103.3° | 109.4° |
| C40 | C47 | H472 | 107.0° | 109.5° |
| C40 | C47 | H471 | 107.0° | 109.5° |
| C2 | C36 | C33 | 118.9° | 120.0° |
| C2 | C36 | N7 | 124.5° | 120.0° |
| C36 | C2 | H2 | 119.8° | 120.0° |
| O10 | C39 | C40 | 118.7° | 119.9° |
| O10 | C39 | N8 | 123.4° | 120.0° |
| N6 | N5 | C31 | 109.2° | 108.8° |
| N5 | N6 | N4 | 106.5° | 110.5° |
| N5 | C31 | C32 | 122.5° | 126.9° |
| N5 | C31 | C30 | 108.4° | 106.2° |
| C31 | C32 | C33 | 120.7° | 120.0° |
| C32 | C31 | C30 | 129.1° | 126.9° |
| C32 | C33 | C36 | 121.3° | 119.8° |
| C32 | C33 | H9 | 119.3° | 120.2° |
| N6 | N4 | C30 | 110.2° | 108.5° |
| N6 | N4 | C28 | 121.8° | 125.8° |
| C31 | C30 | N4 | 105.6° | 106.1° |
| C31 | C30 | H6 | 127.2° | 127.0° |
| C33 | C36 | N7 | 116.6° | 120.0° |
| C36 | C33 | H9 | 119.3° | 120.1° |
| C36 | N7 | C37 | 130.0° | 120.0° |
| C36 | N7 | HN7 | 115.0° | 120.0° |
| O12 | C37 | N7 | 124.9° | 120.0° |
| O12 | C37 | C38 | 119.9° | 120.0° |
| C39 | C40 | N2 | 116.5° | 109.5° |
| C40 | C39 | N8 | 117.8° | 120.0° |
| C39 | C40 | HC40 | 103.5° | 109.5° |
| C40 | N2 | C42 | 133.4° | 120.0° |
| C40 | N2 | HN2 | 113.3° | 120.0° |
| N2 | C40 | HC40 | 104.1° | 109.5° |
| C39 | N8 | C38 | 125.5° | 120.0° |
| C39 | N8 | HN8 | 117.2° | 120.0° |
| N7 | C37 | C38 | 115.2° | 120.0° |
| C37 | N7 | HN7 | 115.0° | 120.0° |
| C37 | C38 | N8 | 113.1° | 109.5° |
| C37 | C38 | C55 | 115.1° | 109.4° |
| C37 | C38 | HC38 | 105.7° | 109.4° |
| C30 | N4 | C28 | 127.7° | 125.8° |
| N4 | C30 | H6 | 127.2° | 126.9° |
| N4 | C28 | C27 | 114.5° | 109.5° |
| N4 | C28 | H282 | 108.2° | 109.5° |
| N4 | C28 | H281 | 108.2° | 109.5° |
| N2 | C42 | C43 | 122.7° | 120.0° |
| N2 | C42 | O8 | 119.3° | 120.0° |
| C42 | N2 | HN2 | 113.3° | 120.0° |
| N8 | C38 | C55 | 109.9° | 109.5° |
| C38 | N8 | HN8 | 117.3° | 120.0° |
| N8 | C38 | HC38 | 106.6° | 109.4° |
| C28 | C27 | C45 | 115.6° | 109.5° |
| C27 | C28 | H282 | 108.2° | 109.4° |
| C27 | C28 | H281 | 108.2° | 109.4° |
| C28 | C27 | H271 | 107.9° | 109.5° |
| C28 | C27 | H272 | 107.9° | 109.5° |
| C43 | C42 | O8 | 117.9° | 120.0° |
| C42 | C43 | H432 | 109.5° | 109.5° |
| C42 | C43 | H431 | 109.5° | 109.5° |
| C42 | C43 | H433 | 109.5° | 109.5° |
| C38 | C55 | C59 | 115.7° | 109.5° |
| C55 | C38 | HC38 | 105.7° | 109.5° |
| C38 | C55 | H551 | 107.9° | 109.5° |
| C38 | C55 | H552 | 107.9° | 109.5° |
| C55 | C59 | S1 | 115.9° | 109.5° |
| C59 | C55 | H551 | 107.9° | 109.4° |
| C59 | C55 | H552 | 107.9° | 109.4° |
| C55 | C59 | H591 | 107.8° | 109.5° |
| C55 | C59 | H592 | 107.9° | 109.5° |
| C6 | C57 | C8 | 109.9° | 109.2° |
| C6 | C57 | C34 | 109.3° | 109.0° |
| C6 | C57 | F1 | 106.4° | 109.3° |
| C57 | C6 | H6_2 | 109.5° | 109.5° |
| C57 | C6 | H6_1 | 109.5° | 109.4° |
| C57 | C6 | H6_3 | 109.5° | 109.5° |
| C27 | C45 | C46 | 113.2° | 109.5° |
| C45 | C27 | H271 | 107.9° | 109.5° |
| C45 | C27 | H272 | 107.9° | 109.5° |
| C27 | C45 | H451 | 108.5° | 109.5° |
| C27 | C45 | H452 | 108.6° | 109.5° |
| O3 | C8 | C57 | 120.8° | 119.5° |
| O3 | C8 | C10 | 118.6° | 119.5° |
| C59 | S1 | C26 | 100.4° | 103.0° |
| S1 | C59 | H591 | 107.9° | 109.4° |
| S1 | C59 | H592 | 107.8° | 109.5° |
| C23 | C41 | C29 | 113.4° | 109.4° |
| C41 | C23 | H231 | 109.5° | 109.4° |
| C41 | C23 | H233 | 109.5° | 109.4° |
| C41 | C23 | H232 | 109.5° | 109.5° |
| C23 | C41 | H411 | 108.5° | 109.5° |
| C23 | C41 | H412 | 108.5° | 109.4° |
| O2 | C34 | C57 | 122.9° | 119.5° |
| O2 | C34 | O11 | 123.9° | 120.3° |
| C45 | C46 | N1 | 113.1° | 109.5° |
| C46 | C45 | H451 | 108.5° | 109.4° |
| C46 | C45 | H452 | 108.6° | 109.4° |
| C45 | C46 | H461 | 108.6° | 109.5° |
| C45 | C46 | H462 | 108.5° | 109.4° |
| C57 | C8 | C10 | 120.4° | 121.0° |
| C8 | C57 | C34 | 111.5° | 109.7° |
| C8 | C57 | F1 | 109.9° | 110.0° |
| C8 | C10 | C14 | 109.5° | 108.5° |
| C8 | C10 | C13 | 114.5° | 109.6° |
| C8 | C10 | HC10 | 106.3° | 110.5° |
| C34 | C57 | F1 | 109.8° | 109.6° |
| C57 | C34 | O11 | 113.2° | 120.2° |
| C34 | O11 | C29 | 121.8° | 118.3° |
| C14 | C10 | C13 | 113.6° | 108.8° |
| C14 | C10 | HC10 | 106.2° | 108.0° |
| C10 | C14 | H142 | 109.5° | 109.5° |
| C10 | C14 | H141 | 109.5° | 109.5° |
| C10 | C14 | H143 | 109.5° | 109.5° |
| C41 | C29 | O11 | 106.5° | 109.5° |
| C41 | C29 | C7 | 115.5° | 109.0° |
| C41 | C29 | HC29 | 107.5° | 109.8° |
| C29 | C41 | H411 | 108.5° | 109.5° |
| C29 | C41 | H412 | 108.5° | 109.5° |
| C10 | C13 | C9 | 118.2° | 111.4° |
| C10 | C13 | O5 | 104.9° | 109.4° |
| C13 | C10 | HC10 | 106.0° | 111.3° |
| C10 | C13 | HC13 | 107.5° | 109.4° |
| O11 | C29 | C7 | 111.1° | 109.4° |
| O11 | C29 | HC29 | 109.0° | 110.1° |
| S1 | C26 | H261 | 109.5° | 109.5° |
| S1 | C26 | H263 | 109.5° | 109.5° |
| S1 | C26 | H262 | 109.4° | 109.4° |
| C29 | C7 | C19 | 111.5° | 109.7° |
| C29 | C7 | O1 | 107.2° | 109.3° |
| C29 | C7 | C1 | 112.3° | 109.6° |
| C7 | C29 | HC29 | 107.2° | 109.0° |
| C46 | N1 | C44 | 123.2° | 124.7° |
| C46 | N1 | C19 | 126.1° | 127.4° |
| N1 | C46 | H461 | 108.5° | 109.5° |
| N1 | C46 | H462 | 108.6° | 109.5° |
| C11 | C9 | C13 | 108.3° | 108.6° |
| C11 | C9 | O4 | 107.5° | 109.6° |
| C11 | C9 | C5 | 108.7° | 111.7° |
| C9 | C11 | H112 | 109.5° | 109.5° |
| C9 | C11 | H111 | 109.5° | 109.4° |
| C9 | C11 | H113 | 109.5° | 109.4° |
| C9 | C13 | O5 | 109.5° | 108.8° |
| C13 | C9 | O4 | 110.4° | 108.3° |
| C13 | C9 | C5 | 113.5° | 108.4° |
| C9 | C13 | HC13 | 107.2° | 108.7° |
| C13 | O5 | C16 | 117.0° | 114.0° |
| O5 | C13 | HC13 | 109.3° | 109.1° |
| C44 | N1 | C19 | 110.6° | 107.9° |
| N1 | C44 | O13 | 131.0° | 123.1° |
| N1 | C44 | O1 | 105.9° | 113.6° |
| N1 | C19 | C7 | 99.6° | 102.8° |
| N1 | C19 | C35 | 114.3° | 112.9° |
| N1 | C19 | HC19 | 109.0° | 107.5° |
| O13 | C44 | O1 | 123.1° | 123.3° |
| C44 | O1 | C7 | 113.1° | 108.6° |
| O4 | C9 | C5 | 108.3° | 110.2° |
| C9 | O4 | C15 | 118.1° | 114.0° |
| C9 | C5 | C56 | 123.0° | 116.1° |
| C9 | C5 | H5_2 | 106.0° | 108.4° |
| C9 | C5 | H5_1 | 106.0° | 108.3° |
| C19 | C7 | O1 | 101.1° | 103.5° |
| C19 | C7 | C1 | 117.5° | 115.2° |
| C7 | C19 | C35 | 118.1° | 116.3° |
| C7 | C19 | HC19 | 107.9° | 108.7° |
| O1 | C7 | C1 | 106.0° | 109.3° |
| C7 | C1 | H1_3 | 109.5° | 109.5° |
| C7 | C1 | H1_2 | 109.5° | 109.4° |
| C7 | C1 | H1_1 | 109.5° | 109.4° |
| C19 | C35 | C12 | 114.6° | 108.8° |
| C19 | C35 | C51 | 114.9° | 110.5° |
| C35 | C19 | HC19 | 107.5° | 108.3° |
| C19 | C35 | HC35 | 105.5° | 112.5° |
| O4 | C15 | H151 | 109.5° | 109.5° |
| O4 | C15 | H153 | 109.4° | 109.5° |
| O4 | C15 | H152 | 109.5° | 109.5° |
| C22 | C20 | O6 | 108.6° | 109.5° |
| C22 | C20 | C21 | 112.5° | 109.5° |
| C22 | C20 | HC20 | 108.1° | 109.5° |
| C20 | C22 | H223 | 109.5° | 109.4° |
| C20 | C22 | H222 | 109.5° | 109.4° |
| C20 | C22 | H221 | 109.5° | 109.5° |
| O6 | C20 | C21 | 110.3° | 109.4° |
| C20 | O6 | C16 | 113.3° | 114.1° |
| O6 | C20 | HC20 | 109.4° | 109.5° |
| C20 | C21 | C18 | 111.0° | 109.2° |
| C21 | C20 | HC20 | 107.9° | 109.4° |
| C20 | C21 | H212 | 109.1° | 109.5° |
| C20 | C21 | H211 | 109.1° | 109.5° |
| O5 | C16 | O6 | 109.4° | 109.5° |
| O5 | C16 | C17 | 107.4° | 109.5° |
| O5 | C16 | HC16 | 110.8° | 109.5° |
| O6 | C16 | C17 | 109.6° | 109.4° |
| O6 | C16 | HC16 | 110.7° | 109.5° |
| C16 | C17 | O7 | 111.0° | 109.5° |
| C16 | C17 | C18 | 108.3° | 109.3° |
| C16 | C17 | HC17 | 108.4° | 109.5° |
| C17 | C16 | HC16 | 108.8° | 109.5° |
| O14 | C12 | C35 | 120.6° | 118.2° |
| O14 | C12 | C56 | 118.5° | 117.7° |
| C5 | C56 | C12 | 119.7° | 111.8° |
| C5 | C56 | C58 | 114.4° | 114.0° |
| C56 | C5 | H5_2 | 106.0° | 108.7° |
| C56 | C5 | H5_1 | 106.0° | 108.7° |
| C5 | C56 | HC56 | 101.8° | 105.6° |
| C35 | C12 | C56 | 120.8° | 124.1° |
| C12 | C35 | C51 | 109.3° | 108.8° |
| C12 | C35 | HC35 | 105.8° | 108.1° |
| C12 | C56 | C58 | 113.5° | 113.8° |
| C12 | C56 | HC56 | 102.0° | 105.1° |
| C21 | C18 | C17 | 112.4° | 109.0° |
| C21 | C18 | N3 | 111.9° | 109.6° |
| C18 | C21 | H212 | 109.1° | 109.5° |
| C18 | C21 | H211 | 109.1° | 109.5° |
| C21 | C18 | HC18 | 106.9° | 109.5° |
| O7 | C17 | C18 | 110.9° | 109.5° |
| O7 | C17 | HC17 | 110.0° | 109.4° |
| C17 | O7 | HO7 | 109.5° | 114.0° |
| C51 | C35 | HC35 | 105.8° | 108.0° |
| C35 | C51 | H512 | 109.5° | 109.5° |
| C35 | C51 | H511 | 109.5° | 109.5° |
| C35 | C51 | H513 | 109.5° | 109.4° |
| C17 | C18 | N3 | 111.4° | 109.5° |
| C18 | C17 | HC17 | 108.2° | 109.6° |
| C17 | C18 | HC18 | 106.9° | 109.5° |
| C18 | N3 | C25 | 112.5° | 111.0° |
| C18 | N3 | C24 | 116.2° | 110.9° |
| N3 | C18 | HC18 | 106.9° | 109.6° |
| C58 | C56 | HC56 | 102.0° | 105.5° |
| C56 | C58 | H582 | 109.5° | 109.5° |
| C56 | C58 | H581 | 109.5° | 109.5° |
| C56 | C58 | H583 | 109.4° | 109.5° |
| C25 | N3 | C24 | 110.7° | 111.0° |
| N3 | C25 | H252 | 109.5° | 109.5° |
| N3 | C25 | H251 | 109.5° | 109.5° |
| N3 | C25 | H253 | 109.5° | 109.5° |
| N3 | C24 | H243 | 109.5° | 109.5° |
| N3 | C24 | H242 | 109.5° | 109.4° |
| N3 | C24 | H241 | 109.4° | 109.4° |
| H5_2 | C5 | H5_1 | 109.5° | 106.2° |
| H6_2 | C6 | H6_1 | 109.4° | 109.5° |
| H6_2 | C6 | H6_3 | 109.5° | 109.5° |
| H6_1 | C6 | H6_3 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.4° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H1_3 | C1 | H1_2 | 109.4° | 109.5° |
| H1_3 | C1 | H1_1 | 109.5° | 109.5° |
| H1_2 | C1 | H1_1 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.4° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.4° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H512 | C51 | H511 | 109.4° | 109.5° |
| H512 | C51 | H513 | 109.5° | 109.5° |
| H511 | C51 | H513 | 109.5° | 109.5° |
| H551 | C55 | H552 | 109.5° | 109.5° |
| H582 | C58 | H581 | 109.4° | 109.5° |
| H582 | C58 | H583 | 109.5° | 109.4° |
| H581 | C58 | H583 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C52 | C53 | C50 | 180.0° | 179.9° |
| O9 | C52 | C53 | C54 | 179.5° | 179.8° |
| O9 | C52 | C50 | C49 | 179.0° | 179.9° |
| O9 | C52 | C50 | H13 | 0.9° | 0.1° |
| O9 | C52 | C53 | H15 | 0.5° | 0.1° |
| C52 | C53 | C54 | H15 | 180.0° | 179.7° |
| C52 | C53 | C54 | C48 | 1.0° | 0.5° |
| C53 | C52 | C50 | C49 | 1.0° | 0.0° |
| C53 | C52 | O9 | HO9 | 180.0° | 90.1° |
| C53 | C52 | C50 | H13 | 179.1° | 180.0° |
| C52 | C53 | C54 | H16 | 179.0° | 179.9° |
| C54 | C53 | C52 | C50 | 0.5° | 0.3° |
| C53 | C54 | C48 | H16 | 180.0° | 179.5° |
| C53 | C54 | C48 | C49 | 2.1° | 0.5° |
| C53 | C54 | C48 | C47 | 178.8° | 179.7° |
| C52 | C50 | C49 | H13 | 180.0° | 180.0° |
| C52 | C50 | C49 | C48 | 0.1° | 0.0° |
| C50 | C52 | O9 | HO9 | 0.0° | 90.0° |
| C52 | C50 | C49 | H12 | 179.9° | 180.0° |
| C50 | C52 | C53 | H15 | 179.5° | 180.0° |
| C54 | C48 | C49 | C50 | 1.6° | 0.2° |
| C54 | C48 | C49 | C47 | 179.1° | 179.8° |
| C54 | C48 | C47 | C40 | 77.7° | 90.3° |
| C54 | C48 | C47 | H472 | 160.9° | 149.7° |
| C54 | C48 | C47 | H471 | 43.7° | 29.8° |
| C54 | C48 | C49 | H12 | 178.4° | 179.7° |
| C48 | C54 | C53 | H15 | 179.0° | 179.7° |
| C50 | C49 | C48 | H12 | 180.0° | 179.9° |
| C50 | C49 | C48 | C47 | 179.3° | 180.0° |
| C49 | C48 | C47 | C40 | 103.2° | 89.9° |
| C49 | C48 | C47 | H472 | 18.2° | 30.1° |
| C49 | C48 | C47 | H471 | 135.4° | 150.0° |
| C48 | C49 | C50 | H13 | 179.9° | 180.0° |
| C49 | C48 | C54 | H16 | 177.9° | 180.0° |
| C48 | C47 | C40 | H472 | 121.4° | 120.0° |
| C48 | C47 | C40 | H471 | 121.4° | 120.1° |
| C48 | C47 | C40 | C39 | 62.6° | 175.0° |
| C48 | C47 | C40 | N2 | 73.9° | 65.0° |
| C48 | C47 | C40 | HC40 | 174.3° | 55.0° |
| C48 | C47 | H472 | H471 | 115.6° | 119.9° |
| C47 | C48 | C49 | H12 | 0.7° | 0.1° |
| C47 | C48 | C54 | H16 | 1.2° | 0.2° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | C32 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | C36 | 0.4° | 0.6° |
| C3 | C4 | C32 | C31 | 179.5° | 179.8° |
| C3 | C4 | C32 | C33 | 0.1° | 0.3° |
| C4 | C3 | C2 | H2 | 179.6° | 179.7° |
| C2 | C3 | C4 | C32 | 0.1° | 0.0° |
| C3 | C2 | C36 | H2 | 180.0° | 179.0° |
| C3 | C2 | C36 | C33 | 0.4° | 0.9° |
| C3 | C2 | C36 | N7 | 179.3° | 180.0° |
| C2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C4 | C32 | C31 | N5 | 2.2° | 175.0° |
| C4 | C32 | C31 | C33 | 179.3° | 179.9° |
| C4 | C32 | C31 | C30 | 178.6° | 5.4° |
| C4 | C32 | C33 | C36 | 0.2° | 0.1° |
| C32 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C32 | C33 | H9 | 179.8° | 180.0° |
| C47 | C40 | C39 | O10 | 38.9° | 100.0° |
| C47 | C40 | C39 | N2 | 134.9° | 120.0° |
| C47 | C40 | C39 | HC40 | 111.6° | 119.9° |
| C47 | C40 | N2 | HC40 | 111.4° | 119.9° |
| C47 | C40 | C39 | N8 | 142.5° | 79.9° |
| C47 | C40 | N2 | C42 | 75.0° | 60.1° |
| C47 | C40 | N2 | HN2 | 105.0° | 120.0° |
| C40 | C47 | H472 | H471 | 115.6° | 120.0° |
| C2 | C36 | C33 | C32 | 0.1° | 0.5° |
| C2 | C36 | C33 | N7 | 179.0° | 179.1° |
| C2 | C36 | N7 | C37 | 2.3° | 147.4° |
| C36 | C2 | C3 | H3 | 179.6° | 179.5° |
| C2 | C36 | N7 | HN7 | 177.7° | 32.6° |
| C2 | C36 | C33 | H9 | 179.9° | 179.4° |
| O10 | C39 | C40 | N8 | 178.7° | 179.9° |
| O10 | C39 | C40 | N2 | 173.8° | 20.0° |
| O10 | C39 | N8 | C38 | 8.1° | 0.1° |
| O10 | C39 | N8 | HN8 | 171.9° | 180.0° |
| O10 | C39 | C40 | HC40 | 72.7° | 140.1° |
| N6 | N5 | C31 | C32 | 178.4° | 180.0° |
| N6 | N5 | C31 | C30 | 0.9° | 0.3° |
| N5 | N6 | N4 | C30 | 2.8° | 0.1° |
| N5 | N6 | N4 | C28 | 176.5° | 179.8° |
| N5 | C31 | C32 | C30 | 179.2° | 179.6° |
| N5 | C31 | C32 | C33 | 178.5° | 5.1° |
| C31 | N5 | N6 | N4 | 2.3° | 0.2° |
| N5 | C31 | C30 | N4 | 0.8° | 0.4° |
| N5 | C31 | C30 | H6 | 179.2° | 179.7° |
| C31 | C32 | C33 | C36 | 179.5° | 180.0° |
| C32 | C31 | C30 | N4 | 179.9° | 180.0° |
| C31 | C32 | C4 | H1 | 0.5° | 0.1° |
| C32 | C31 | C30 | H6 | 0.0° | 0.0° |
| C31 | C32 | C33 | H9 | 0.5° | 0.1° |
| C33 | C32 | C31 | C30 | 0.7° | 174.5° |
| C32 | C33 | C36 | H9 | 180.0° | 179.9° |
| C32 | C33 | C36 | N7 | 179.1° | 179.7° |
| C33 | C32 | C4 | H1 | 179.8° | 180.0° |
| N6 | N4 | C30 | C31 | 2.2° | 0.3° |
| N6 | N4 | C30 | C28 | 173.2° | 179.7° |
| N6 | N4 | C28 | C27 | 32.9° | 54.7° |
| N6 | N4 | C28 | H282 | 87.8° | 65.3° |
| N6 | N4 | C28 | H281 | 153.6° | 174.6° |
| N6 | N4 | C30 | H6 | 177.8° | 179.8° |
| C31 | C30 | N4 | H6 | 180.0° | 180.0° |
| C31 | C30 | N4 | C28 | 175.4° | 180.0° |
| C33 | C36 | N7 | C37 | 178.7° | 33.4° |
| C33 | C36 | C2 | H2 | 179.6° | 179.9° |
| C33 | C36 | N7 | HN7 | 1.3° | 146.5° |
| C36 | N7 | C37 | O12 | 3.6° | 5.4° |
| C36 | N7 | C37 | HN7 | 180.0° | 180.0° |
| C36 | N7 | C37 | C38 | 175.6° | 174.6° |
| N7 | C36 | C2 | H2 | 0.7° | 0.9° |
| N7 | C36 | C33 | H9 | 0.9° | 0.2° |
| O12 | C37 | N7 | C38 | 179.2° | 179.9° |
| O12 | C37 | C38 | N8 | 129.3° | 0.0° |
| O12 | C37 | C38 | C55 | 1.9° | 120.1° |
| O12 | C37 | N7 | HN7 | 176.4° | 174.7° |
| O12 | C37 | C38 | HC38 | 114.4° | 119.9° |
| C39 | C40 | N2 | HC40 | 113.1° | 120.0° |
| C39 | C40 | N2 | C42 | 60.5° | 60.0° |
| C40 | C39 | N8 | C38 | 173.3° | 180.0° |
| C39 | C40 | N2 | HN2 | 119.5° | 120.0° |
| C40 | C39 | N8 | HN8 | 6.7° | 0.1° |
| C39 | C40 | C47 | H472 | 176.1° | 65.0° |
| C39 | C40 | C47 | H471 | 58.8° | 54.9° |
| N2 | C40 | C39 | N8 | 7.6° | 160.0° |
| C40 | N2 | C42 | HN2 | 180.0° | 180.0° |
| C40 | N2 | C42 | C43 | 0.9° | 180.0° |
| C40 | N2 | C42 | O8 | 178.8° | 0.1° |
| N2 | C40 | C47 | H472 | 47.5° | 55.0° |
| N2 | C40 | C47 | H471 | 164.7° | 175.0° |
| C39 | N8 | C38 | C37 | 59.3° | 155.0° |
| C39 | N8 | C38 | HN8 | 180.0° | 179.9° |
| C39 | N8 | C38 | C55 | 70.8° | 85.0° |
| C39 | N8 | C38 | HC38 | 175.1° | 35.1° |
| N8 | C39 | C40 | HC40 | 105.9° | 40.0° |
| N7 | C37 | C38 | N8 | 49.9° | 180.0° |
| N7 | C37 | C38 | C55 | 177.3° | 60.0° |
| N7 | C37 | C38 | HC38 | 66.4° | 60.0° |
| C37 | C38 | N8 | C55 | 130.1° | 120.0° |
| C37 | C38 | N8 | HC38 | 115.8° | 120.0° |
| C37 | C38 | C55 | HC38 | 116.3° | 120.0° |
| C37 | C38 | C55 | C59 | 66.2° | 175.0° |
| C38 | C37 | N7 | HN7 | 4.4° | 5.4° |
| C37 | C38 | N8 | HN8 | 120.7° | 25.0° |
| C37 | C38 | C55 | H551 | 172.9° | 65.1° |
| C37 | C38 | C55 | H552 | 54.7° | 55.0° |
| C30 | N4 | C28 | C27 | 154.6° | 125.0° |
| C30 | N4 | C28 | H282 | 84.7° | 115.0° |
| C30 | N4 | C28 | H281 | 33.9° | 5.0° |
| N4 | C28 | C27 | H282 | 120.7° | 120.1° |
| N4 | C28 | C27 | H281 | 120.7° | 120.0° |
| N4 | C28 | C27 | C45 | 61.6° | 180.0° |
| N4 | C28 | H282 | H281 | 117.8° | 120.0° |
| N4 | C28 | C27 | H271 | 59.2° | 59.9° |
| N4 | C28 | C27 | H272 | 177.5° | 60.0° |
| C28 | N4 | C30 | H6 | 4.6° | 0.0° |
| N2 | C42 | C43 | O8 | 177.9° | 179.9° |
| C42 | N2 | C40 | HC40 | 173.6° | 180.0° |
| N2 | C42 | C43 | H432 | 177.9° | 90.1° |
| N2 | C42 | C43 | H431 | 57.9° | 150.0° |
| N2 | C42 | C43 | H433 | 62.1° | 30.0° |
| N8 | C38 | C55 | HC38 | 114.7° | 120.0° |
| N8 | C38 | C55 | C59 | 164.8° | 65.0° |
| N8 | C38 | C55 | H551 | 43.9° | 55.0° |
| N8 | C38 | C55 | H552 | 74.3° | 175.0° |
| C28 | C27 | C45 | H271 | 120.9° | 120.0° |
| C28 | C27 | C45 | H272 | 120.9° | 120.0° |
| C28 | C27 | C45 | C46 | 68.4° | 180.0° |
| C27 | C28 | H282 | H281 | 117.7° | 119.9° |
| C28 | C27 | H271 | H272 | 117.2° | 119.9° |
| C28 | C27 | C45 | H451 | 52.1° | 60.0° |
| C28 | C27 | C45 | H452 | 171.0° | 60.0° |
| C43 | C42 | N2 | HN2 | 179.1° | 0.0° |
| C42 | C43 | H432 | H431 | 120.0° | 120.0° |
| C42 | C43 | H432 | H433 | 120.0° | 120.0° |
| C42 | C43 | H431 | H433 | 120.0° | 120.1° |
| C38 | C55 | C59 | H551 | 120.9° | 120.0° |
| C38 | C55 | C59 | H552 | 120.9° | 120.0° |
| C38 | C55 | C59 | S1 | 60.5° | 180.0° |
| C55 | C38 | N8 | HN8 | 109.2° | 95.0° |
| C38 | C55 | H551 | H552 | 117.2° | 120.1° |
| C38 | C55 | C59 | H591 | 178.5° | 60.0° |
| C38 | C55 | C59 | H592 | 60.4° | 60.0° |
| C55 | C59 | S1 | H591 | 121.0° | 120.0° |
| C55 | C59 | S1 | H592 | 121.0° | 120.1° |
| C55 | C59 | S1 | C26 | 74.6° | 180.0° |
| C59 | C55 | C38 | HC38 | 50.1° | 55.0° |
| C59 | C55 | H551 | H552 | 117.2° | 120.0° |
| C55 | C59 | H591 | H592 | 117.1° | 120.0° |
| C6 | C57 | C8 | O3 | 51.1° | 55.8° |
| C6 | C57 | C34 | O2 | 80.8° | 63.0° |
| C6 | C57 | C8 | C34 | 121.3° | 119.5° |
| C6 | C57 | C8 | F1 | 116.8° | 119.9° |
| C6 | C57 | C8 | C10 | 122.5° | 123.8° |
| C6 | C57 | C34 | F1 | 116.3° | 119.5° |
| C6 | C57 | C34 | O11 | 97.3° | 117.6° |
| C57 | C6 | H6_2 | H6_1 | 120.0° | 120.0° |
| C57 | C6 | H6_2 | H6_3 | 120.0° | 120.0° |
| C57 | C6 | H6_1 | H6_3 | 120.0° | 120.0° |
| C27 | C45 | C46 | H451 | 120.5° | 120.0° |
| C27 | C45 | C46 | H452 | 120.6° | 120.0° |
| C27 | C45 | C46 | N1 | 177.2° | 180.0° |
| C45 | C27 | C28 | H282 | 177.6° | 60.0° |
| C45 | C27 | C28 | H281 | 59.1° | 60.0° |
| C45 | C27 | H271 | H272 | 117.2° | 120.0° |
| C27 | C45 | H451 | H452 | 118.3° | 120.0° |
| C27 | C45 | C46 | H461 | 56.6° | 60.0° |
| C27 | C45 | C46 | H462 | 62.3° | 60.0° |
| O3 | C8 | C57 | C10 | 173.6° | 179.6° |
| O3 | C8 | C57 | C34 | 70.2° | 63.7° |
| O3 | C8 | C57 | F1 | 167.8° | 175.7° |
| O3 | C8 | C10 | C14 | 56.4° | 61.2° |
| O3 | C8 | C10 | C13 | 72.5° | 57.5° |
| O3 | C8 | C10 | HC10 | 170.8° | 179.4° |
| O8 | C42 | N2 | HN2 | 1.2° | 180.0° |
| O8 | C42 | C43 | H432 | 0.0° | 90.0° |
| O8 | C42 | C43 | H431 | 120.0° | 29.9° |
| O8 | C42 | C43 | H433 | 120.0° | 150.0° |
| C59 | S1 | C26 | H261 | 180.0° | 60.0° |
| C59 | S1 | C26 | H263 | 60.0° | 60.0° |
| C59 | S1 | C26 | H262 | 60.0° | 180.0° |
| S1 | C59 | C55 | H551 | 60.4° | 60.0° |
| S1 | C59 | C55 | H552 | 178.6° | 60.0° |
| S1 | C59 | H591 | H592 | 117.0° | 119.9° |
| C23 | C41 | C29 | H411 | 120.6° | 120.0° |
| C23 | C41 | C29 | H412 | 120.6° | 119.9° |
| C23 | C41 | C29 | O11 | 66.3° | 65.0° |
| C23 | C41 | C29 | C7 | 170.0° | 175.4° |
| C41 | C23 | H231 | H233 | 120.0° | 120.0° |
| C41 | C23 | H231 | H232 | 120.0° | 120.0° |
| C41 | C23 | H233 | H232 | 120.0° | 120.0° |
| C23 | C41 | C29 | HC29 | 50.5° | 55.9° |
| C23 | C41 | H411 | H412 | 118.2° | 120.0° |
| O2 | C34 | C57 | C8 | 40.8° | 56.6° |
| O2 | C34 | C57 | O11 | 178.2° | 179.4° |
| O2 | C34 | C57 | F1 | 162.8° | 177.5° |
| O2 | C34 | O11 | C29 | 4.5° | 1.5° |
| C45 | C46 | N1 | H461 | 120.6° | 120.0° |
| C45 | C46 | N1 | H462 | 120.5° | 120.0° |
| C45 | C46 | N1 | C44 | 66.7° | 90.0° |
| C45 | C46 | N1 | C19 | 109.7° | 87.6° |
| C46 | C45 | C27 | H271 | 170.7° | 60.0° |
| C46 | C45 | C27 | H272 | 52.5° | 59.9° |
| C46 | C45 | H451 | H452 | 118.3° | 119.9° |
| C45 | C46 | H461 | H462 | 118.3° | 120.0° |
| C8 | C57 | C34 | F1 | 122.0° | 120.9° |
| C8 | C57 | C34 | O11 | 141.0° | 122.8° |
| C57 | C8 | C10 | C14 | 117.3° | 118.4° |
| C57 | C8 | C10 | C13 | 113.8° | 122.9° |
| C8 | C57 | C6 | H6_2 | 180.0° | 60.0° |
| C8 | C57 | C6 | H6_1 | 60.0° | 180.0° |
| C8 | C57 | C6 | H6_3 | 60.0° | 60.0° |
| C57 | C8 | C10 | HC10 | 2.9° | 0.2° |
| C10 | C8 | C57 | C34 | 116.2° | 116.7° |
| C10 | C8 | C57 | F1 | 5.8° | 3.9° |
| C8 | C10 | C14 | C13 | 129.4° | 119.2° |
| C8 | C10 | C14 | HC10 | 114.5° | 119.8° |
| C8 | C10 | C13 | HC10 | 116.9° | 122.6° |
| C8 | C10 | C13 | C9 | 47.3° | 102.7° |
| C8 | C10 | C13 | O5 | 169.6° | 137.0° |
| C8 | C10 | C13 | HC13 | 74.2° | 17.5° |
| C8 | C10 | C14 | H142 | 180.0° | 64.7° |
| C8 | C10 | C14 | H141 | 60.0° | 175.2° |
| C8 | C10 | C14 | H143 | 60.0° | 55.2° |
| C57 | C34 | O11 | C29 | 173.6° | 177.9° |
| C34 | C57 | C6 | H6_2 | 57.4° | 59.9° |
| C34 | C57 | C6 | H6_1 | 177.4° | 60.1° |
| C34 | C57 | C6 | H6_3 | 62.7° | 179.9° |
| F1 | C57 | C34 | O11 | 19.0° | 1.9° |
| F1 | C57 | C6 | H6_2 | 61.1° | 179.6° |
| F1 | C57 | C6 | H6_1 | 58.9° | 59.6° |
| F1 | C57 | C6 | H6_3 | 178.9° | 60.4° |
| C34 | O11 | C29 | C41 | 124.8° | 104.1° |
| C34 | O11 | C29 | C7 | 108.7° | 136.5° |
| C34 | O11 | C29 | HC29 | 9.1° | 16.7° |
| C14 | C10 | C13 | HC10 | 116.3° | 118.9° |
| C14 | C10 | C13 | C9 | 174.1° | 138.8° |
| C14 | C10 | C13 | O5 | 63.5° | 18.5° |
| C14 | C10 | C13 | HC13 | 52.7° | 100.9° |
| C10 | C14 | H142 | H141 | 120.0° | 120.0° |
| C10 | C14 | H142 | H143 | 120.0° | 120.0° |
| C10 | C14 | H141 | H143 | 120.0° | 120.1° |
| C41 | C29 | O11 | C7 | 126.5° | 119.4° |
| C41 | C29 | O11 | HC29 | 115.7° | 120.8° |
| C41 | C29 | C7 | HC29 | 119.7° | 119.9° |
| C41 | C29 | C7 | C19 | 166.4° | 146.8° |
| C41 | C29 | C7 | O1 | 56.6° | 34.0° |
| C41 | C29 | C7 | C1 | 59.4° | 85.7° |
| C29 | C41 | C23 | H231 | 180.0° | 179.9° |
| C29 | C41 | C23 | H233 | 60.0° | 60.0° |
| C29 | C41 | C23 | H232 | 60.0° | 60.0° |
| C29 | C41 | H411 | H412 | 118.2° | 120.0° |
| C10 | C13 | C9 | C11 | 89.3° | 45.0° |
| C10 | C13 | C9 | O5 | 119.9° | 120.6° |
| C10 | C13 | C9 | HC13 | 121.6° | 120.7° |
| C10 | C13 | O5 | HC13 | 115.0° | 119.7° |
| C10 | C13 | C9 | O4 | 28.1° | 73.9° |
| C10 | C13 | C9 | C5 | 149.9° | 166.6° |
| C10 | C13 | O5 | C16 | 105.3° | 115.5° |
| C13 | C10 | C14 | H142 | 50.6° | 176.1° |
| C13 | C10 | C14 | H141 | 69.4° | 56.0° |
| C13 | C10 | C14 | H143 | 170.6° | 64.0° |
| O11 | C29 | C7 | HC29 | 119.0° | 120.4° |
| O11 | C29 | C7 | C19 | 72.2° | 93.5° |
| O11 | C29 | C7 | O1 | 178.0° | 153.7° |
| O11 | C29 | C7 | C1 | 62.0° | 34.0° |
| O11 | C29 | C41 | H411 | 54.3° | 55.0° |
| O11 | C29 | C41 | H412 | 173.1° | 175.0° |
| S1 | C26 | H261 | H263 | 120.0° | 120.1° |
| S1 | C26 | H261 | H262 | 120.0° | 119.9° |
| S1 | C26 | H263 | H262 | 120.0° | 120.0° |
| C26 | S1 | C59 | H591 | 46.4° | 60.0° |
| C26 | S1 | C59 | H592 | 164.5° | 60.0° |
| C29 | C7 | C19 | N1 | 84.3° | 98.7° |
| C29 | C7 | O1 | C44 | 91.4° | 104.8° |
| C29 | C7 | C19 | O1 | 113.6° | 116.6° |
| C29 | C7 | C19 | C1 | 131.6° | 124.2° |
| C29 | C7 | O1 | C1 | 120.1° | 119.9° |
| C29 | C7 | C19 | C35 | 151.5° | 137.4° |
| C29 | C7 | C1 | H1_3 | 180.0° | 64.3° |
| C29 | C7 | C1 | H1_2 | 60.0° | 55.7° |
| C29 | C7 | C1 | H1_1 | 60.0° | 175.7° |
| C29 | C7 | C19 | HC19 | 29.4° | 14.9° |
| C7 | C29 | C41 | H411 | 69.5° | 64.7° |
| C7 | C29 | C41 | H412 | 49.3° | 55.4° |
| C46 | N1 | C44 | C19 | 176.9° | 178.0° |
| C46 | N1 | C44 | O13 | 13.9° | 12.1° |
| C46 | N1 | C44 | O1 | 164.6° | 166.3° |
| C46 | N1 | C19 | C7 | 150.4° | 159.8° |
| C46 | N1 | C19 | C35 | 82.8° | 74.1° |
| C46 | N1 | C19 | HC19 | 37.5° | 45.2° |
| N1 | C46 | C45 | H451 | 62.3° | 60.0° |
| N1 | C46 | C45 | H452 | 56.6° | 59.9° |
| N1 | C46 | H461 | H462 | 118.3° | 120.0° |
| C11 | C9 | C13 | O4 | 117.5° | 118.9° |
| C11 | C9 | C13 | C5 | 120.8° | 121.6° |
| C11 | C9 | C13 | O5 | 150.7° | 165.6° |
| C11 | C9 | O4 | C5 | 117.3° | 123.3° |
| C11 | C9 | O4 | C15 | 176.8° | 52.6° |
| C11 | C9 | C5 | C56 | 66.9° | 42.9° |
| C11 | C9 | C5 | H5_2 | 55.0° | 79.7° |
| C11 | C9 | C5 | H5_1 | 171.3° | 165.5° |
| C11 | C9 | C13 | HC13 | 32.3° | 75.6° |
| C9 | C11 | H112 | H111 | 120.0° | 120.0° |
| C9 | C11 | H112 | H113 | 120.0° | 119.9° |
| C9 | C11 | H111 | H113 | 120.0° | 119.9° |
| C9 | C13 | O5 | HC13 | 117.2° | 118.5° |
| C13 | C9 | O4 | C5 | 124.8° | 118.4° |
| C13 | C9 | O4 | C15 | 65.3° | 65.7° |
| C9 | C13 | O5 | C16 | 126.8° | 122.6° |
| C13 | C9 | C5 | C56 | 172.6° | 162.5° |
| C13 | C9 | C5 | H5_2 | 65.5° | 39.9° |
| C13 | C9 | C5 | H5_1 | 50.7° | 74.9° |
| C9 | C13 | C10 | HC10 | 69.6° | 19.9° |
| C13 | C9 | C11 | H112 | 180.0° | 65.5° |
| C13 | C9 | C11 | H111 | 60.0° | 174.4° |
| C13 | C9 | C11 | H113 | 60.0° | 54.4° |
| O5 | C13 | C9 | O4 | 91.8° | 46.8° |
| O5 | C13 | C9 | C5 | 30.0° | 72.8° |
| C13 | O5 | C16 | O6 | 68.3° | 69.3° |
| C13 | O5 | C16 | C17 | 172.8° | 170.7° |
| O5 | C13 | C10 | HC10 | 52.7° | 100.4° |
| C13 | O5 | C16 | HC16 | 54.0° | 50.7° |
| N1 | C44 | O13 | O1 | 178.2° | 178.2° |
| C44 | N1 | C19 | C7 | 26.4° | 18.2° |
| N1 | C44 | O1 | C7 | 9.6° | 0.7° |
| C44 | N1 | C19 | C35 | 100.4° | 107.9° |
| C44 | N1 | C19 | HC19 | 139.2° | 132.7° |
| C44 | N1 | C46 | H461 | 53.9° | 150.0° |
| C44 | N1 | C46 | H462 | 172.8° | 30.0° |
| C19 | N1 | C44 | O13 | 169.3° | 169.9° |
| C19 | N1 | C44 | O1 | 12.3° | 11.7° |
| N1 | C19 | C7 | C35 | 124.2° | 123.8° |
| N1 | C19 | C7 | HC19 | 113.7° | 113.7° |
| N1 | C19 | C7 | O1 | 29.4° | 17.8° |
| N1 | C19 | C7 | C1 | 144.1° | 137.0° |
| N1 | C19 | C35 | HC19 | 121.2° | 118.9° |
| N1 | C19 | C35 | C12 | 80.4° | 94.6° |
| N1 | C19 | C35 | C51 | 47.5° | 24.8° |
| N1 | C19 | C35 | HC35 | 163.6° | 145.6° |
| C19 | N1 | C46 | H461 | 129.8° | 32.4° |
| C19 | N1 | C46 | H462 | 10.9° | 152.4° |
| O13 | C44 | O1 | C7 | 169.0° | 177.7° |
| C44 | O1 | C7 | C19 | 25.5° | 12.1° |
| C44 | O1 | C7 | C1 | 148.5° | 135.3° |
| O4 | C9 | C5 | C56 | 49.7° | 79.1° |
| O4 | C9 | C5 | H5_2 | 171.5° | 158.2° |
| O4 | C9 | C5 | H5_1 | 72.2° | 43.4° |
| O4 | C9 | C13 | HC13 | 149.7° | 165.5° |
| C9 | O4 | C15 | H151 | 180.0° | 169.1° |
| C9 | O4 | C15 | H153 | 60.0° | 70.9° |
| C9 | O4 | C15 | H152 | 60.0° | 49.1° |
| O4 | C9 | C11 | H112 | 60.7° | 176.4° |
| O4 | C9 | C11 | H111 | 59.3° | 56.3° |
| O4 | C9 | C11 | H113 | 179.3° | 63.7° |
| C5 | C9 | O4 | C15 | 59.6° | 175.9° |
| C9 | C5 | C56 | H5_2 | 121.9° | 122.5° |
| C9 | C5 | C56 | H5_1 | 121.9° | 122.4° |
| C9 | C5 | C56 | C12 | 18.1° | 86.0° |
| C9 | C5 | C56 | C58 | 121.4° | 44.8° |
| C9 | C5 | H5_2 | H5_1 | 113.9° | 116.2° |
| C5 | C9 | C13 | HC13 | 88.5° | 45.9° |
| C5 | C9 | C11 | H112 | 56.3° | 53.9° |
| C5 | C9 | C11 | H111 | 176.3° | 66.1° |
| C5 | C9 | C11 | H113 | 63.7° | 173.9° |
| C9 | C5 | C56 | HC56 | 129.5° | 160.2° |
| C19 | C7 | O1 | C1 | 123.0° | 123.2° |
| C7 | C19 | C35 | HC19 | 122.3° | 122.7° |
| C7 | C19 | C35 | C12 | 163.1° | 146.9° |
| C7 | C19 | C35 | C51 | 69.1° | 93.7° |
| C19 | C7 | C1 | H1_3 | 48.7° | 60.0° |
| C19 | C7 | C1 | H1_2 | 71.3° | 180.0° |
| C19 | C7 | C1 | H1_1 | 168.7° | 60.0° |
| C19 | C7 | C29 | HC29 | 46.7° | 27.0° |
| C7 | C19 | C35 | HC35 | 47.0° | 27.2° |
| O1 | C7 | C19 | C35 | 94.9° | 106.0° |
| O1 | C7 | C1 | H1_3 | 63.3° | 175.9° |
| O1 | C7 | C1 | H1_2 | 176.8° | 64.1° |
| O1 | C7 | C1 | H1_1 | 56.7° | 55.9° |
| O1 | C7 | C19 | HC19 | 143.1° | 131.5° |
| O1 | C7 | C29 | HC29 | 63.0° | 85.8° |
| C1 | C7 | C19 | C35 | 19.9° | 13.2° |
| C7 | C1 | H1_3 | H1_2 | 120.0° | 120.0° |
| C7 | C1 | H1_3 | H1_1 | 120.0° | 120.0° |
| C7 | C1 | H1_2 | H1_1 | 120.0° | 119.9° |
| C1 | C7 | C19 | HC19 | 102.2° | 109.3° |
| C1 | C7 | C29 | HC29 | 179.1° | 154.4° |
| C19 | C35 | C12 | O14 | 59.7° | 40.0° |
| C19 | C35 | C12 | C51 | 130.6° | 120.5° |
| C19 | C35 | C12 | HC35 | 115.8° | 122.4° |
| C19 | C35 | C12 | C56 | 123.8° | 139.9° |
| C19 | C35 | C51 | HC35 | 116.0° | 123.4° |
| C19 | C35 | C51 | H512 | 180.0° | 179.4° |
| C19 | C35 | C51 | H511 | 60.0° | 60.6° |
| C19 | C35 | C51 | H513 | 60.0° | 59.4° |
| O4 | C15 | H151 | H153 | 120.0° | 120.0° |
| O4 | C15 | H151 | H152 | 120.0° | 120.1° |
| O4 | C15 | H153 | H152 | 120.0° | 120.0° |
| C22 | C20 | O6 | C21 | 123.7° | 120.0° |
| C22 | C20 | O6 | HC20 | 117.7° | 120.1° |
| C22 | C20 | C21 | HC20 | 119.2° | 120.1° |
| C22 | C20 | O6 | C16 | 173.6° | 178.9° |
| C22 | C20 | C21 | C18 | 172.2° | 177.6° |
| C22 | C20 | C21 | H212 | 52.0° | 57.7° |
| C22 | C20 | C21 | H211 | 67.6° | 62.5° |
| C20 | C22 | H223 | H222 | 120.0° | 119.9° |
| C20 | C22 | H223 | H221 | 120.0° | 120.0° |
| C20 | C22 | H222 | H221 | 120.0° | 120.1° |
| O6 | C20 | C21 | HC20 | 119.4° | 119.9° |
| C20 | O6 | C16 | O5 | 175.3° | 178.9° |
| C20 | O6 | C16 | C17 | 67.1° | 61.1° |
| O6 | C20 | C21 | C18 | 50.7° | 57.6° |
| O6 | C20 | C21 | H212 | 69.5° | 62.3° |
| O6 | C20 | C21 | H211 | 171.0° | 177.5° |
| O6 | C20 | C22 | H223 | 180.0° | 60.0° |
| O6 | C20 | C22 | H222 | 60.0° | 180.0° |
| O6 | C20 | C22 | H221 | 60.0° | 60.0° |
| C20 | O6 | C16 | HC16 | 52.9° | 58.9° |
| C21 | C20 | O6 | C16 | 62.6° | 61.1° |
| C20 | C21 | C18 | H212 | 120.2° | 119.9° |
| C20 | C21 | C18 | H211 | 120.2° | 119.9° |
| C20 | C21 | C18 | C17 | 47.1° | 57.0° |
| C20 | C21 | C18 | N3 | 173.3° | 176.8° |
| C20 | C21 | H212 | H211 | 119.3° | 120.1° |
| C21 | C20 | C22 | H223 | 57.6° | 180.0° |
| C21 | C20 | C22 | H222 | 62.4° | 60.1° |
| C21 | C20 | C22 | H221 | 177.6° | 60.0° |
| C20 | C21 | C18 | HC18 | 70.0° | 62.9° |
| O5 | C16 | O6 | C17 | 117.6° | 120.0° |
| O5 | C16 | O6 | HC16 | 122.4° | 120.0° |
| O5 | C16 | C17 | HC16 | 120.0° | 120.0° |
| O5 | C16 | C17 | O7 | 60.8° | 62.4° |
| O5 | C16 | C17 | C18 | 177.2° | 177.7° |
| C16 | O5 | C13 | HC13 | 9.6° | 4.1° |
| O5 | C16 | C17 | HC17 | 60.0° | 57.6° |
| O6 | C16 | C17 | HC16 | 121.2° | 120.0° |
| O6 | C16 | C17 | O7 | 179.6° | 177.6° |
| O6 | C16 | C17 | C18 | 58.4° | 57.6° |
| O6 | C16 | C17 | HC17 | 58.7° | 62.4° |
| C16 | O6 | C20 | HC20 | 55.9° | 58.8° |
| C16 | C17 | C18 | C21 | 50.0° | 57.0° |
| C16 | C17 | O7 | C18 | 120.4° | 119.8° |
| C16 | C17 | O7 | HC17 | 119.9° | 120.1° |
| C16 | C17 | C18 | HC17 | 117.3° | 120.0° |
| C16 | C17 | C18 | N3 | 176.5° | 176.9° |
| C16 | C17 | O7 | HO7 | 180.0° | 60.1° |
| C16 | C17 | C18 | HC18 | 67.0° | 62.8° |
| O14 | C12 | C56 | C5 | 90.3° | 66.4° |
| O14 | C12 | C35 | C56 | 176.5° | 179.9° |
| O14 | C12 | C35 | C51 | 70.9° | 80.5° |
| O14 | C12 | C56 | C58 | 129.8° | 162.6° |
| O14 | C12 | C35 | HC35 | 175.5° | 162.4° |
| O14 | C12 | C56 | HC56 | 20.9° | 47.6° |
| C5 | C56 | C12 | C35 | 93.1° | 113.5° |
| C5 | C56 | C12 | C58 | 139.9° | 131.0° |
| C5 | C56 | C12 | HC56 | 111.2° | 114.1° |
| C5 | C56 | C58 | HC56 | 109.0° | 115.4° |
| C56 | C5 | H5_2 | H5_1 | 113.9° | 116.8° |
| C5 | C56 | C58 | H582 | 180.0° | 65.2° |
| C5 | C56 | C58 | H581 | 60.0° | 174.8° |
| C5 | C56 | C58 | H583 | 60.0° | 54.7° |
| C12 | C35 | C51 | HC35 | 113.6° | 117.2° |
| C35 | C12 | C56 | C58 | 46.8° | 17.5° |
| C12 | C35 | C19 | HC19 | 40.8° | 24.3° |
| C12 | C35 | C51 | H512 | 49.5° | 60.0° |
| C12 | C35 | C51 | H511 | 169.5° | 180.0° |
| C12 | C35 | C51 | H513 | 70.5° | 60.0° |
| C35 | C12 | C56 | HC56 | 155.7° | 132.4° |
| C56 | C12 | C35 | C51 | 105.6° | 99.6° |
| C12 | C56 | C58 | HC56 | 108.9° | 114.7° |
| C12 | C56 | C5 | H5_2 | 103.7° | 36.4° |
| C12 | C56 | C5 | H5_1 | 140.0° | 151.6° |
| C56 | C12 | C35 | HC35 | 8.0° | 17.5° |
| C12 | C56 | C58 | H582 | 37.9° | 64.7° |
| C12 | C56 | C58 | H581 | 157.9° | 55.3° |
| C12 | C56 | C58 | H583 | 82.1° | 175.4° |
| C21 | C18 | C17 | O7 | 172.1° | 177.0° |
| C21 | C18 | C17 | N3 | 126.5° | 119.9° |
| C21 | C18 | C17 | HC18 | 117.0° | 119.8° |
| C21 | C18 | N3 | HC18 | 116.7° | 120.3° |
| C21 | C18 | N3 | C25 | 67.4° | 53.9° |
| C21 | C18 | N3 | C24 | 61.6° | 70.0° |
| C21 | C18 | C17 | HC17 | 67.3° | 63.0° |
| C18 | C21 | C20 | HC20 | 68.7° | 62.3° |
| C18 | C21 | H212 | H211 | 119.3° | 120.2° |
| O7 | C17 | C18 | HC17 | 120.7° | 120.0° |
| O7 | C17 | C18 | N3 | 61.4° | 63.2° |
| O7 | C17 | C16 | HC16 | 59.2° | 57.6° |
| O7 | C17 | C18 | HC18 | 55.0° | 57.1° |
| C51 | C35 | C19 | HC19 | 168.7° | 143.7° |
| C35 | C51 | H512 | H511 | 120.0° | 120.0° |
| C35 | C51 | H512 | H513 | 120.0° | 120.0° |
| C35 | C51 | H511 | H513 | 120.0° | 119.9° |
| C17 | C18 | N3 | HC18 | 116.4° | 120.2° |
| C17 | C18 | N3 | C25 | 165.7° | 65.6° |
| C17 | C18 | N3 | C24 | 65.3° | 170.4° |
| C17 | C18 | C21 | H212 | 73.2° | 62.9° |
| C17 | C18 | C21 | H211 | 167.3° | 176.9° |
| C18 | C17 | O7 | HO7 | 59.6° | 179.9° |
| C18 | C17 | C16 | HC16 | 62.8° | 62.3° |
| C18 | N3 | C25 | C24 | 131.8° | 123.9° |
| N3 | C18 | C17 | HC17 | 59.3° | 56.9° |
| N3 | C18 | C21 | H212 | 53.1° | 56.9° |
| N3 | C18 | C21 | H211 | 66.4° | 63.2° |
| C18 | N3 | C24 | H243 | 180.0° | 60.0° |
| C18 | N3 | C24 | H242 | 60.0° | 180.0° |
| C18 | N3 | C24 | H241 | 60.0° | 60.0° |
| C18 | N3 | C25 | H252 | 180.0° | 179.9° |
| C18 | N3 | C25 | H251 | 60.0° | 60.1° |
| C18 | N3 | C25 | H253 | 60.0° | 60.0° |
| C58 | C56 | C5 | H5_2 | 116.7° | 167.3° |
| C58 | C56 | C5 | H5_1 | 0.4° | 77.6° |
| C56 | C58 | H582 | H581 | 120.0° | 120.0° |
| C56 | C58 | H582 | H583 | 120.0° | 120.0° |
| C56 | C58 | H581 | H583 | 120.0° | 120.0° |
| C25 | N3 | C24 | H243 | 50.2° | 176.1° |
| C25 | N3 | C24 | H242 | 170.1° | 56.0° |
| C25 | N3 | C24 | H241 | 69.9° | 63.9° |
| C25 | N3 | C18 | HC18 | 49.3° | 174.2° |
| N3 | C25 | H252 | H251 | 120.0° | 120.0° |
| N3 | C25 | H252 | H253 | 120.0° | 120.0° |
| N3 | C25 | H251 | H253 | 120.0° | 120.1° |
| N3 | C24 | H243 | H242 | 120.0° | 120.0° |
| N3 | C24 | H243 | H241 | 120.0° | 119.9° |
| N3 | C24 | H242 | H241 | 120.0° | 119.9° |
| C24 | N3 | C18 | HC18 | 178.3° | 50.2° |
| C24 | N3 | C25 | H252 | 48.2° | 56.0° |
| C24 | N3 | C25 | H251 | 71.8° | 176.0° |
| C24 | N3 | C25 | H253 | 168.2° | 63.9° |
| H1 | C4 | C3 | H3 | 0.1° | 0.2° |
| H5_2 | C5 | C56 | HC56 | 7.6° | 77.3° |
| H5_1 | C5 | C56 | HC56 | 108.7° | 37.8° |
| H6_2 | C6 | H6_1 | H6_3 | 120.0° | 120.0° |
| HC10 | C10 | C13 | HC13 | 168.9° | 140.1° |
| HC10 | C10 | C14 | H142 | 65.6° | 55.0° |
| HC10 | C10 | C14 | H141 | 174.4° | 65.0° |
| HC10 | C10 | C14 | H143 | 54.5° | 175.0° |
| H151 | C15 | H153 | H152 | 120.0° | 120.0° |
| HC17 | C17 | O7 | HO7 | 60.1° | 60.0° |
| HC17 | C17 | C16 | HC16 | 179.9° | 177.6° |
| HC17 | C17 | C18 | HC18 | 175.7° | 177.2° |
| HC20 | C20 | C21 | H212 | 171.1° | 177.8° |
| HC20 | C20 | C21 | H211 | 51.6° | 57.6° |
| HC20 | C20 | C22 | H223 | 61.4° | 60.0° |
| HC20 | C20 | C22 | H222 | 178.6° | 59.9° |
| HC20 | C20 | C22 | H221 | 58.6° | 180.0° |
| H212 | C21 | C18 | HC18 | 169.8° | 177.2° |
| H211 | C21 | C18 | HC18 | 50.3° | 57.1° |
| H223 | C22 | H222 | H221 | 120.0° | 120.0° |
| H243 | C24 | H242 | H241 | 120.0° | 120.1° |
| H261 | C26 | H263 | H262 | 120.0° | 120.0° |
| H282 | C28 | C27 | H271 | 61.5° | 180.0° |
| H282 | C28 | C27 | H272 | 56.7° | 60.1° |
| H281 | C28 | C27 | H271 | 180.0° | 60.0° |
| H281 | C28 | C27 | H272 | 61.8° | 179.9° |
| H1_3 | C1 | H1_2 | H1_1 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.4° | 0.4° |
| HN2 | N2 | C40 | HC40 | 6.4° | 0.0° |
| HN8 | N8 | C38 | HC38 | 4.9° | 145.0° |
| H112 | C11 | H111 | H113 | 120.0° | 120.1° |
| H142 | C14 | H141 | H143 | 120.0° | 119.9° |
| HC19 | C19 | C35 | HC35 | 75.2° | 95.5° |
| H231 | C23 | H233 | H232 | 119.9° | 120.0° |
| H231 | C23 | C41 | H411 | 59.4° | 60.0° |
| H231 | C23 | C41 | H412 | 59.4° | 60.0° |
| H233 | C23 | C41 | H411 | 60.6° | 60.0° |
| H233 | C23 | C41 | H412 | 179.4° | 180.0° |
| H232 | C23 | C41 | H411 | 179.4° | 180.0° |
| H232 | C23 | C41 | H412 | 60.6° | 60.0° |
| H252 | C25 | H251 | H253 | 120.0° | 119.9° |
| H271 | C27 | C45 | H451 | 68.8° | 180.0° |
| H271 | C27 | C45 | H452 | 50.1° | 60.0° |
| H272 | C27 | C45 | H451 | 173.0° | 60.1° |
| H272 | C27 | C45 | H452 | 68.1° | 179.9° |
| HC29 | C29 | C41 | H411 | 171.0° | 175.9° |
| HC29 | C29 | C41 | H412 | 70.2° | 64.0° |
| HC35 | C35 | C51 | H512 | 64.0° | 57.2° |
| HC35 | C35 | C51 | H511 | 56.0° | 62.8° |
| HC35 | C35 | C51 | H513 | 176.0° | 177.2° |
| HC38 | C38 | C55 | H551 | 70.8° | 175.0° |
| HC38 | C38 | C55 | H552 | 171.0° | 65.0° |
| HC40 | C40 | C47 | H472 | 64.4° | 175.0° |
| HC40 | C40 | C47 | H471 | 52.9° | 65.0° |
| H432 | C43 | H431 | H433 | 120.0° | 120.0° |
| H451 | C45 | C46 | H461 | 177.1° | 60.0° |
| H451 | C45 | C46 | H462 | 58.2° | 180.0° |
| H452 | C45 | C46 | H461 | 64.0° | 180.0° |
| H452 | C45 | C46 | H462 | 177.1° | 60.1° |
| H12 | C49 | C50 | H13 | 0.1° | 0.1° |
| H512 | C51 | H511 | H513 | 120.0° | 120.0° |
| H15 | C53 | C54 | H16 | 1.0° | 0.2° |
| H551 | C55 | C59 | H591 | 60.6° | 60.0° |
| H551 | C55 | C59 | H592 | 178.7° | 180.0° |
| H552 | C55 | C59 | H591 | 57.6° | 180.0° |
| H552 | C55 | C59 | H592 | 60.5° | 60.0° |
| HC56 | C56 | C58 | H582 | 71.0° | 179.4° |
| HC56 | C56 | C58 | H581 | 49.0° | 59.4° |
| HC56 | C56 | C58 | H583 | 169.0° | 60.7° |
| H582 | C58 | H581 | H583 | 120.0° | 120.0° |
