YBI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | N1 | sing | 1.36Å | 1.32Å | Aromatic |
| C2 | N9 | doub | 1.30Å | 1.35Å | Aromatic |
| C3 | C15 | sing | 1.53Å | 1.52Å | |
| C3 | N4 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.48Å | 1.50Å | |
| C5 | C20 | sing | 1.48Å | 1.50Å | |
| C5 | N4 | doub | 1.29Å | 1.43Å | |
| C6 | C7 | doub | 1.38Å | 1.62Å | Aromatic |
| C7 | N1 | sing | 1.40Å | 1.46Å | |
| C7 | S13 | sing | 1.71Å | 1.74Å | Aromatic |
| C10 | C17 | sing | 1.51Å | 1.54Å | |
| C10 | N1 | sing | 1.35Å | 1.48Å | Aromatic |
| C10 | N8 | doub | 1.31Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.32Å | 1.22Å | Aromatic |
| C11 | C18 | sing | 1.51Å | 1.53Å | |
| C12 | C19 | sing | 1.51Å | 1.56Å | |
| C12 | S13 | sing | 1.75Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C14 | N62 | sing | 1.35Å | 1.48Å | |
| C14 | O16 | doub | 1.21Å | 1.20Å | |
| C20 | C21 | doub | 1.40Å | 1.32Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.51Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.54Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.31Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.55Å | Aromatic |
| C23 | CL1 | sing | 1.74Å | 1.81Å | |
| C24 | C25 | doub | 1.38Å | 1.35Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.55Å | |
| C27 | C54 | doub | 1.34Å | 1.26Å | Aromatic |
| C27 | N51 | sing | 1.37Å | 1.37Å | Aromatic |
| C28 | N29 | sing | 1.47Å | 1.51Å | |
| C30 | C31 | sing | 1.51Å | 1.56Å | |
| C30 | N29 | sing | 1.47Å | 1.48Å | |
| C31 | N32 | sing | 1.35Å | 1.47Å | |
| C31 | O33 | doub | 1.21Å | 1.19Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | C39 | sing | 1.53Å | 1.53Å | |
| C34 | N32 | sing | 1.46Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C40 | sing | 1.51Å | 1.56Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C40 | N41 | sing | 1.36Å | 1.33Å | Aromatic |
| C40 | N44 | doub | 1.30Å | 1.35Å | Aromatic |
| C42 | C43 | doub | 1.41Å | 1.40Å | Aromatic |
| C42 | C45 | sing | 1.39Å | 1.41Å | Aromatic |
| C42 | N41 | sing | 1.38Å | 1.34Å | Aromatic |
| C43 | C48 | sing | 1.40Å | 1.40Å | Aromatic |
| C43 | N44 | sing | 1.36Å | 1.34Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.40Å | Aromatic |
| C46 | O49 | sing | 1.36Å | 1.43Å | |
| C47 | C48 | doub | 1.37Å | 1.40Å | Aromatic |
| C50 | C65 | sing | 1.53Å | 1.57Å | |
| C50 | O49 | sing | 1.43Å | 1.41Å | |
| C52 | C53 | doub | 1.41Å | 1.42Å | Aromatic |
| C52 | C55 | sing | 1.39Å | 1.38Å | Aromatic |
| C52 | N51 | sing | 1.38Å | 1.48Å | Aromatic |
| C53 | C54 | sing | 1.46Å | 1.29Å | Aromatic |
| C53 | C58 | sing | 1.40Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.39Å | 1.40Å | Aromatic |
| C57 | C58 | doub | 1.37Å | 1.40Å | Aromatic |
| C60 | C61 | sing | 1.53Å | 1.58Å | |
| C60 | N59 | sing | 1.47Å | 1.30Å | |
| C61 | N62 | sing | 1.47Å | 1.45Å | |
| C63 | C64 | sing | 1.53Å | 1.55Å | |
| C63 | N62 | sing | 1.47Å | 1.46Å | |
| C64 | N59 | sing | 1.47Å | 1.29Å | |
| C65 | C66 | sing | 1.53Å | 1.57Å | |
| C66 | N59 | sing | 1.47Å | 1.37Å | |
| N8 | N9 | sing | 1.29Å | 1.45Å | Aromatic |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| C57 | H571 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.08Å | 1.08Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C65 | H652 | sing | 1.09Å | 1.10Å | |
| C65 | H651 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| N29 | H4 | sing | 1.01Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| N41 | H6 | sing | 0.97Å | 1.00Å | |
| N51 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | C11 | sing | 1.45Å | 1.75Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | N1 | 122.6° | 125.1° |
| C3 | C2 | N9 | 130.4° | 127.8° |
| C2 | C3 | C15 | 111.4° | 109.5° |
| C2 | C3 | N4 | 102.4° | 109.1° |
| C2 | C3 | H31 | 110.4° | 109.5° |
| N1 | C2 | N9 | 107.0° | 107.1° |
| C2 | N1 | C7 | 127.9° | 124.5° |
| C2 | N1 | C10 | 103.7° | 106.5° |
| C2 | N9 | N8 | 117.4° | 109.7° |
| C15 | C3 | N4 | 110.6° | 109.5° |
| C3 | C15 | C14 | 109.2° | 109.5° |
| C15 | C3 | H31 | 110.4° | 109.5° |
| C3 | C15 | H151 | 109.5° | 109.5° |
| C3 | C15 | H152 | 109.6° | 109.5° |
| C3 | N4 | C5 | 116.3° | 122.4° |
| N4 | C3 | H31 | 111.4° | 109.6° |
| C6 | C5 | C20 | 107.3° | 117.0° |
| C6 | C5 | N4 | 119.5° | 126.0° |
| C5 | C6 | C7 | 125.7° | 124.7° |
| C5 | C6 | C11 | 134.9° | 123.5° |
| C20 | C5 | N4 | 113.1° | 117.0° |
| C5 | C20 | C21 | 125.6° | 120.1° |
| C5 | C20 | C25 | 114.0° | 120.1° |
| C6 | C7 | N1 | 121.6° | 124.1° |
| C6 | C7 | S13 | 99.7° | 111.0° |
| C7 | C6 | C11 | 99.4° | 111.8° |
| N1 | C7 | S13 | 138.7° | 124.9° |
| C7 | N1 | C10 | 127.9° | 129.0° |
| C7 | S13 | C12 | 110.7° | 92.6° |
| C17 | C10 | N1 | 123.8° | 126.7° |
| C17 | C10 | N8 | 119.9° | 126.7° |
| C10 | C17 | H172 | 109.5° | 109.5° |
| C10 | C17 | H173 | 109.5° | 109.5° |
| C10 | C17 | H171 | 109.5° | 109.5° |
| N1 | C10 | N8 | 116.1° | 106.7° |
| C10 | N8 | N9 | 95.5° | 110.0° |
| C12 | C11 | C18 | 124.3° | 123.1° |
| C11 | C12 | C19 | 124.0° | 124.6° |
| C11 | C12 | S13 | 114.5° | 110.7° |
| C12 | C11 | C6 | 115.7° | 113.9° |
| C11 | C18 | H181 | 109.5° | 109.5° |
| C11 | C18 | H183 | 109.5° | 109.5° |
| C11 | C18 | H182 | 109.5° | 109.5° |
| C18 | C11 | C6 | 120.0° | 123.1° |
| C19 | C12 | S13 | 121.5° | 124.7° |
| C12 | C19 | H191 | 109.5° | 109.5° |
| C12 | C19 | H193 | 109.5° | 109.5° |
| C12 | C19 | H192 | 109.5° | 109.5° |
| C15 | C14 | N62 | 116.9° | 120.0° |
| C15 | C14 | O16 | 122.3° | 119.9° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.6° | 109.5° |
| N62 | C14 | O16 | 120.8° | 120.0° |
| C14 | N62 | C61 | 121.3° | 120.9° |
| C14 | N62 | C63 | 118.2° | 120.8° |
| C21 | C20 | C25 | 120.3° | 119.8° |
| C20 | C21 | C22 | 120.8° | 119.9° |
| C20 | C21 | H211 | 119.6° | 120.1° |
| C20 | C25 | C24 | 119.8° | 119.9° |
| C20 | C25 | H251 | 120.1° | 120.0° |
| C21 | C22 | C23 | 119.3° | 120.1° |
| C22 | C21 | H211 | 119.6° | 120.1° |
| C21 | C22 | H221 | 120.3° | 119.9° |
| C22 | C23 | C24 | 120.8° | 120.3° |
| C22 | C23 | CL1 | 119.1° | 119.9° |
| C23 | C22 | H221 | 120.4° | 120.0° |
| C24 | C23 | CL1 | 120.1° | 119.9° |
| C23 | C24 | C25 | 119.0° | 120.1° |
| C23 | C24 | H241 | 120.5° | 120.0° |
| C25 | C24 | H241 | 120.5° | 119.9° |
| C24 | C25 | H251 | 120.1° | 120.1° |
| C28 | C27 | C54 | 129.1° | 125.0° |
| C28 | C27 | N51 | 125.2° | 125.0° |
| C27 | C28 | N29 | 102.2° | 109.5° |
| C27 | C28 | H281 | 111.2° | 109.5° |
| C27 | C28 | H282 | 111.3° | 109.5° |
| C54 | C27 | N51 | 105.6° | 109.9° |
| C27 | C54 | C53 | 120.9° | 107.0° |
| C27 | C54 | H541 | 119.6° | 126.5° |
| C27 | N51 | C52 | 105.9° | 109.9° |
| C27 | N51 | H8 | 127.1° | 125.0° |
| C28 | N29 | C30 | 115.9° | 111.0° |
| N29 | C28 | H281 | 111.3° | 109.4° |
| N29 | C28 | H282 | 111.3° | 109.5° |
| C28 | N29 | H4 | 107.9° | 111.0° |
| C31 | C30 | N29 | 116.9° | 109.4° |
| C30 | C31 | N32 | 124.8° | 120.0° |
| C30 | C31 | O33 | 117.7° | 120.0° |
| C31 | C30 | H301 | 107.6° | 109.5° |
| C31 | C30 | H302 | 107.6° | 109.4° |
| N29 | C30 | H301 | 107.6° | 109.5° |
| N29 | C30 | H302 | 107.6° | 109.5° |
| C30 | N29 | H4 | 107.8° | 111.0° |
| N32 | C31 | O33 | 117.4° | 120.0° |
| C31 | N32 | C34 | 117.9° | 120.0° |
| C31 | N32 | H321 | 121.0° | 120.0° |
| C35 | C34 | C39 | 111.4° | 109.4° |
| C35 | C34 | N32 | 110.2° | 109.5° |
| C34 | C35 | C36 | 117.1° | 109.5° |
| C35 | C34 | H341 | 107.1° | 109.5° |
| C34 | C35 | H351 | 107.5° | 109.4° |
| C34 | C35 | H352 | 107.5° | 109.5° |
| C39 | C34 | N32 | 113.4° | 109.4° |
| C34 | C39 | C38 | 117.2° | 109.5° |
| C39 | C34 | H341 | 106.9° | 109.4° |
| C34 | C39 | H392 | 107.5° | 109.5° |
| C34 | C39 | H391 | 107.5° | 109.5° |
| N32 | C34 | H341 | 107.4° | 109.5° |
| C34 | N32 | H321 | 121.0° | 120.0° |
| C35 | C36 | C37 | 112.6° | 109.5° |
| C36 | C35 | H351 | 107.5° | 109.5° |
| C36 | C35 | H352 | 107.5° | 109.5° |
| C35 | C36 | H361 | 108.7° | 109.5° |
| C35 | C36 | H362 | 108.7° | 109.5° |
| C36 | C37 | C38 | 108.8° | 109.5° |
| C36 | C37 | C40 | 105.0° | 109.5° |
| C37 | C36 | H361 | 108.7° | 109.4° |
| C37 | C36 | H362 | 108.7° | 109.4° |
| C36 | C37 | H371 | 110.1° | 109.5° |
| C38 | C37 | C40 | 112.8° | 109.5° |
| C37 | C38 | C39 | 111.4° | 109.4° |
| C38 | C37 | H371 | 110.3° | 109.5° |
| C37 | C38 | H382 | 109.0° | 109.4° |
| C37 | C38 | H381 | 109.0° | 109.4° |
| C37 | C40 | N41 | 123.8° | 124.9° |
| C37 | C40 | N44 | 126.2° | 125.0° |
| C40 | C37 | H371 | 109.6° | 109.4° |
| C39 | C38 | H382 | 109.0° | 109.5° |
| C39 | C38 | H381 | 109.0° | 109.5° |
| C38 | C39 | H392 | 107.5° | 109.4° |
| C38 | C39 | H391 | 107.5° | 109.4° |
| N41 | C40 | N44 | 110.0° | 110.1° |
| C40 | N41 | C42 | 107.2° | 107.3° |
| C40 | N41 | H6 | 126.4° | 126.4° |
| C40 | N44 | C43 | 108.5° | 109.7° |
| C43 | C42 | C45 | 120.6° | 119.9° |
| C43 | C42 | N41 | 108.4° | 106.1° |
| C42 | C43 | C48 | 120.3° | 119.6° |
| C42 | C43 | N44 | 106.0° | 106.9° |
| C45 | C42 | N41 | 131.0° | 134.1° |
| C42 | C45 | C46 | 118.6° | 119.6° |
| C42 | C45 | H451 | 120.7° | 120.2° |
| C42 | N41 | H6 | 126.4° | 126.3° |
| C48 | C43 | N44 | 133.7° | 133.5° |
| C43 | C48 | C47 | 119.7° | 120.0° |
| C43 | C48 | H481 | 120.1° | 120.0° |
| C45 | C46 | C47 | 120.8° | 120.3° |
| C45 | C46 | O49 | 118.5° | 119.8° |
| C46 | C45 | H451 | 120.7° | 120.2° |
| C47 | C46 | O49 | 120.7° | 119.9° |
| C46 | C47 | C48 | 120.0° | 120.6° |
| C46 | C47 | H471 | 120.0° | 119.7° |
| C46 | O49 | C50 | 113.1° | 117.0° |
| C48 | C47 | H471 | 120.0° | 119.7° |
| C47 | C48 | H481 | 120.2° | 120.0° |
| C65 | C50 | O49 | 109.0° | 109.5° |
| C50 | C65 | C66 | 111.2° | 109.4° |
| C65 | C50 | H501 | 109.6° | 109.5° |
| C65 | C50 | H502 | 109.6° | 109.5° |
| C50 | C65 | H652 | 109.0° | 109.5° |
| C50 | C65 | H651 | 109.0° | 109.5° |
| O49 | C50 | H501 | 109.6° | 109.5° |
| O49 | C50 | H502 | 109.6° | 109.4° |
| C53 | C52 | C55 | 120.3° | 119.4° |
| C53 | C52 | N51 | 104.9° | 107.1° |
| C52 | C53 | C54 | 102.7° | 106.1° |
| C52 | C53 | C58 | 119.8° | 119.9° |
| C55 | C52 | N51 | 134.8° | 133.5° |
| C52 | C55 | C56 | 119.6° | 119.7° |
| C52 | C55 | H551 | 120.2° | 120.1° |
| C52 | N51 | H8 | 127.0° | 125.1° |
| C54 | C53 | C58 | 137.5° | 134.1° |
| C53 | C54 | H541 | 119.5° | 126.5° |
| C53 | C58 | C57 | 119.6° | 119.8° |
| C53 | C58 | H581 | 120.2° | 120.1° |
| C55 | C56 | C57 | 120.5° | 120.7° |
| C56 | C55 | H551 | 120.2° | 120.2° |
| C55 | C56 | H561 | 119.8° | 119.6° |
| C56 | C57 | C58 | 120.1° | 120.6° |
| C57 | C56 | H561 | 119.7° | 119.7° |
| C56 | C57 | H571 | 120.0° | 119.7° |
| C58 | C57 | H571 | 119.9° | 119.7° |
| C57 | C58 | H581 | 120.2° | 120.2° |
| C61 | C60 | N59 | 113.1° | 109.3° |
| C60 | C61 | N62 | 107.3° | 108.5° |
| C61 | C60 | H601 | 108.5° | 109.4° |
| C61 | C60 | H602 | 108.5° | 109.5° |
| C60 | C61 | H612 | 110.0° | 109.6° |
| C60 | C61 | H611 | 110.0° | 109.6° |
| C60 | N59 | C64 | 117.9° | 111.2° |
| C60 | N59 | C66 | 114.6° | 111.0° |
| N59 | C60 | H601 | 108.6° | 109.5° |
| N59 | C60 | H602 | 108.6° | 109.5° |
| C61 | N62 | C63 | 120.5° | 118.3° |
| N62 | C61 | H612 | 110.0° | 109.6° |
| N62 | C61 | H611 | 110.0° | 109.7° |
| C64 | C63 | N62 | 115.4° | 108.5° |
| C63 | C64 | N59 | 118.1° | 109.3° |
| C64 | C63 | H631 | 108.0° | 109.7° |
| C64 | C63 | H632 | 108.0° | 109.6° |
| C63 | C64 | H641 | 107.3° | 109.5° |
| C63 | C64 | H642 | 107.3° | 109.5° |
| N62 | C63 | H631 | 108.0° | 109.6° |
| N62 | C63 | H632 | 108.0° | 109.6° |
| C64 | N59 | C66 | 112.5° | 111.0° |
| N59 | C64 | H641 | 107.3° | 109.4° |
| N59 | C64 | H642 | 107.3° | 109.5° |
| C65 | C66 | N59 | 107.3° | 109.4° |
| C66 | C65 | H652 | 109.0° | 109.5° |
| C66 | C65 | H651 | 109.0° | 109.5° |
| C65 | C66 | H662 | 110.0° | 109.5° |
| C65 | C66 | H661 | 110.0° | 109.5° |
| N59 | C66 | H662 | 110.0° | 109.5° |
| N59 | C66 | H661 | 110.0° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.4° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H601 | C60 | H602 | 109.5° | 109.5° |
| H612 | C61 | H611 | 109.5° | 109.8° |
| H631 | C63 | H632 | 109.5° | 109.8° |
| H641 | C64 | H642 | 109.5° | 109.6° |
| H652 | C65 | H651 | 109.5° | 109.5° |
| H662 | C66 | H661 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | N1 | N9 | 178.7° | 179.7° |
| C2 | C3 | C15 | N4 | 113.2° | 119.7° |
| C2 | C3 | C15 | H31 | 123.0° | 120.1° |
| C2 | C3 | N4 | H31 | 118.0° | 119.9° |
| C2 | C3 | N4 | C5 | 95.1° | 62.3° |
| C3 | C2 | N1 | C7 | 4.3° | 1.2° |
| C3 | C2 | N1 | C10 | 175.8° | 179.2° |
| C2 | C3 | C15 | C14 | 161.2° | 175.0° |
| C3 | C2 | N9 | N8 | 178.2° | 179.4° |
| C2 | C3 | C15 | H151 | 78.8° | 65.0° |
| C2 | C3 | C15 | H152 | 41.3° | 55.0° |
| N1 | C2 | C3 | C15 | 171.0° | 60.3° |
| N1 | C2 | C3 | N4 | 70.8° | 59.6° |
| C2 | N1 | C7 | C6 | 27.3° | 33.8° |
| C2 | N1 | C7 | C10 | 169.5° | 179.4° |
| C2 | N1 | C7 | S13 | 151.2° | 145.5° |
| C2 | N1 | C10 | C17 | 177.6° | 179.5° |
| C2 | N1 | C10 | N8 | 7.1° | 0.4° |
| N1 | C2 | N9 | N8 | 3.3° | 0.3° |
| N1 | C2 | C3 | H31 | 48.0° | 179.6° |
| N9 | C2 | C3 | C15 | 7.4° | 120.1° |
| N9 | C2 | C3 | N4 | 110.9° | 120.0° |
| N9 | C2 | N1 | C7 | 177.0° | 179.1° |
| N9 | C2 | N1 | C10 | 5.6° | 0.4° |
| C2 | N9 | N8 | C10 | 1.0° | 0.1° |
| N9 | C2 | C3 | H31 | 130.4° | 0.0° |
| C15 | C3 | N4 | H31 | 123.2° | 120.2° |
| C15 | C3 | N4 | C5 | 146.1° | 57.6° |
| C3 | C15 | C14 | H151 | 119.9° | 120.0° |
| C3 | C15 | C14 | H152 | 120.0° | 120.0° |
| C3 | C15 | C14 | N62 | 174.4° | 180.0° |
| C3 | C15 | C14 | O16 | 5.4° | 0.0° |
| C3 | C15 | H151 | H152 | 120.1° | 120.0° |
| C3 | N4 | C5 | C6 | 45.7° | 4.5° |
| C3 | N4 | C5 | C20 | 173.4° | 175.4° |
| N4 | C3 | C15 | C14 | 85.5° | 65.3° |
| N4 | C3 | C15 | H151 | 34.4° | 54.7° |
| N4 | C3 | C15 | H152 | 154.5° | 174.6° |
| C6 | C5 | C20 | N4 | 133.8° | 179.9° |
| C5 | C6 | C7 | C11 | 179.7° | 179.5° |
| C5 | C6 | C7 | N1 | 0.2° | 3.8° |
| C5 | C6 | C7 | S13 | 179.3° | 176.8° |
| C5 | C6 | C11 | C12 | 179.1° | 177.5° |
| C5 | C6 | C11 | C18 | 0.4° | 2.5° |
| C6 | C5 | C20 | C21 | 132.9° | 147.6° |
| C6 | C5 | C20 | C25 | 48.3° | 32.7° |
| C20 | C5 | C6 | C7 | 122.5° | 142.3° |
| C5 | C20 | C21 | C25 | 178.7° | 179.7° |
| C5 | C20 | C21 | C22 | 179.0° | 180.0° |
| C5 | C20 | C25 | C24 | 178.7° | 179.7° |
| C5 | C20 | C21 | H211 | 1.0° | 0.1° |
| C5 | C20 | C25 | H251 | 1.3° | 0.0° |
| C20 | C5 | C6 | C11 | 58.0° | 37.2° |
| N4 | C5 | C6 | C7 | 7.9° | 37.8° |
| N4 | C5 | C20 | C21 | 93.2° | 32.3° |
| N4 | C5 | C20 | C25 | 85.5° | 147.4° |
| C5 | N4 | C3 | H31 | 22.9° | 177.8° |
| N4 | C5 | C6 | C11 | 171.7° | 142.7° |
| C6 | C7 | N1 | S13 | 178.6° | 179.2° |
| C6 | C7 | N1 | C10 | 142.2° | 146.8° |
| C7 | C6 | C11 | C12 | 0.5° | 2.0° |
| C7 | C6 | C11 | C18 | 179.9° | 178.0° |
| C6 | C7 | S13 | C12 | 0.4° | 2.1° |
| C7 | N1 | C10 | C17 | 6.2° | 1.0° |
| C7 | N1 | C10 | N8 | 178.6° | 179.1° |
| N1 | C7 | S13 | C12 | 179.1° | 177.2° |
| N1 | C7 | C6 | C11 | 179.4° | 176.7° |
| S13 | C7 | N1 | C10 | 39.3° | 34.0° |
| C7 | S13 | C12 | C11 | 0.1° | 1.0° |
| C7 | S13 | C12 | C19 | 179.4° | 178.9° |
| S13 | C7 | C6 | C11 | 0.4° | 2.7° |
| C17 | C10 | N1 | N8 | 175.3° | 179.9° |
| C17 | C10 | N8 | N9 | 179.8° | 179.6° |
| C10 | C17 | H172 | H173 | 120.0° | 120.0° |
| C10 | C17 | H172 | H171 | 120.0° | 120.0° |
| C10 | C17 | H173 | H171 | 120.0° | 120.0° |
| N1 | C10 | N8 | N9 | 4.7° | 0.2° |
| N1 | C10 | C17 | H172 | 175.1° | 90.0° |
| N1 | C10 | C17 | H173 | 64.9° | 150.0° |
| N1 | C10 | C17 | H171 | 55.1° | 30.0° |
| N8 | C10 | C17 | H172 | 0.0° | 89.9° |
| N8 | C10 | C17 | H173 | 120.0° | 30.1° |
| N8 | C10 | C17 | H171 | 120.0° | 150.1° |
| C12 | C11 | C18 | C6 | 179.5° | 180.0° |
| C11 | C12 | C19 | S13 | 179.4° | 180.0° |
| C12 | C11 | C18 | H181 | 90.3° | 84.8° |
| C12 | C11 | C18 | H183 | 149.7° | 35.2° |
| C12 | C11 | C18 | H182 | 29.8° | 155.2° |
| C11 | C12 | C19 | H191 | 179.4° | 90.0° |
| C11 | C12 | C19 | H193 | 59.4° | 150.0° |
| C11 | C12 | C19 | H192 | 60.6° | 30.0° |
| C18 | C11 | C12 | C19 | 0.7° | 0.3° |
| C18 | C11 | C12 | S13 | 179.8° | 179.6° |
| C11 | C18 | H181 | H183 | 120.0° | 120.0° |
| C11 | C18 | H181 | H182 | 120.0° | 120.0° |
| C11 | C18 | H183 | H182 | 120.0° | 120.0° |
| C12 | C19 | H191 | H193 | 120.0° | 120.0° |
| C12 | C19 | H191 | H192 | 120.0° | 120.0° |
| C12 | C19 | H193 | H192 | 120.0° | 120.0° |
| C19 | C12 | C11 | C6 | 179.7° | 179.7° |
| S13 | C12 | C19 | H191 | 0.0° | 90.0° |
| S13 | C12 | C19 | H193 | 120.0° | 30.0° |
| S13 | C12 | C19 | H192 | 120.0° | 150.0° |
| S13 | C12 | C11 | C6 | 0.3° | 0.3° |
| C15 | C14 | N62 | O16 | 179.8° | 180.0° |
| C15 | C14 | N62 | C61 | 179.5° | 180.0° |
| C15 | C14 | N62 | C63 | 0.7° | 0.1° |
| C14 | C15 | C3 | H31 | 38.3° | 54.9° |
| C14 | C15 | H151 | H152 | 120.2° | 120.0° |
| C14 | N62 | C61 | C60 | 153.2° | 128.8° |
| C14 | N62 | C61 | C63 | 178.8° | 179.9° |
| C14 | N62 | C63 | C64 | 176.4° | 128.8° |
| N62 | C14 | C15 | H151 | 65.6° | 60.0° |
| N62 | C14 | C15 | H152 | 54.5° | 60.0° |
| C14 | N62 | C61 | H612 | 33.6° | 111.6° |
| C14 | N62 | C61 | H611 | 87.1° | 9.0° |
| C14 | N62 | C63 | H631 | 62.7° | 9.0° |
| C14 | N62 | C63 | H632 | 55.5° | 111.5° |
| O16 | C14 | N62 | C61 | 0.7° | 0.0° |
| O16 | C14 | N62 | C63 | 179.5° | 179.9° |
| O16 | C14 | C15 | H151 | 114.6° | 120.1° |
| O16 | C14 | C15 | H152 | 125.3° | 120.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C25 | C24 | 0.2° | 0.6° |
| C20 | C21 | C22 | H221 | 179.9° | 180.0° |
| C21 | C20 | C25 | H251 | 179.8° | 179.7° |
| C25 | C20 | C21 | C22 | 0.3° | 0.3° |
| C20 | C25 | C24 | C23 | 0.8° | 0.6° |
| C20 | C25 | C24 | H251 | 180.0° | 179.7° |
| C25 | C20 | C21 | H211 | 179.7° | 179.8° |
| C20 | C25 | C24 | H241 | 179.2° | 179.7° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.0° |
| C21 | C22 | C23 | CL1 | 179.6° | 179.9° |
| C22 | C23 | C24 | CL1 | 179.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.1° | 0.3° |
| C23 | C22 | C21 | H211 | 179.9° | 179.9° |
| C22 | C23 | C24 | H241 | 178.9° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C24 | C23 | C22 | H221 | 179.4° | 180.0° |
| C23 | C24 | C25 | H251 | 179.2° | 179.7° |
| CL1 | C23 | C24 | C25 | 180.0° | 179.8° |
| CL1 | C23 | C22 | H221 | 0.4° | 0.1° |
| CL1 | C23 | C24 | H241 | 0.1° | 0.0° |
| C28 | C27 | C54 | N51 | 178.1° | 179.6° |
| C27 | C28 | N29 | H281 | 118.8° | 120.0° |
| C27 | C28 | N29 | H282 | 118.8° | 120.1° |
| C27 | C28 | N29 | C30 | 119.8° | 180.0° |
| C28 | C27 | N51 | C52 | 178.6° | 179.9° |
| C28 | C27 | C54 | C53 | 178.8° | 179.9° |
| C27 | C28 | H281 | H282 | 123.4° | 120.1° |
| C28 | C27 | C54 | H541 | 1.2° | 0.2° |
| C27 | C28 | N29 | H4 | 119.2° | 56.1° |
| C28 | C27 | N51 | H8 | 1.4° | 0.1° |
| C54 | C27 | C28 | N29 | 137.3° | 95.1° |
| C27 | C54 | C53 | C52 | 0.6° | 0.2° |
| C54 | C27 | N51 | C52 | 0.3° | 0.3° |
| C27 | C54 | C53 | H541 | 180.0° | 179.9° |
| C27 | C54 | C53 | C58 | 179.5° | 179.8° |
| C54 | C27 | C28 | H281 | 18.5° | 145.0° |
| C54 | C27 | C28 | H282 | 103.8° | 24.9° |
| C54 | C27 | N51 | H8 | 179.7° | 179.7° |
| N51 | C27 | C28 | N29 | 40.5° | 85.4° |
| C27 | N51 | C52 | C53 | 0.0° | 0.2° |
| C27 | N51 | C52 | C55 | 179.8° | 179.9° |
| C27 | N51 | C52 | H8 | 180.0° | 179.9° |
| N51 | C27 | C54 | C53 | 0.6° | 0.3° |
| N51 | C27 | C28 | H281 | 159.3° | 34.6° |
| N51 | C27 | C28 | H282 | 78.4° | 154.6° |
| N51 | C27 | C54 | H541 | 179.4° | 179.8° |
| C28 | N29 | C30 | C31 | 56.0° | 180.0° |
| C28 | N29 | C30 | H4 | 121.0° | 123.9° |
| N29 | C28 | H281 | H282 | 123.4° | 120.0° |
| C28 | N29 | C30 | H301 | 177.0° | 60.0° |
| C28 | N29 | C30 | H302 | 65.1° | 60.1° |
| C31 | C30 | N29 | H301 | 121.1° | 120.0° |
| C31 | C30 | N29 | H302 | 121.1° | 119.9° |
| C30 | C31 | N32 | O33 | 178.5° | 179.9° |
| C30 | C31 | N32 | C34 | 178.2° | 179.9° |
| C31 | C30 | H301 | H302 | 116.6° | 120.0° |
| C31 | C30 | N29 | H4 | 176.9° | 56.1° |
| C30 | C31 | N32 | H321 | 1.8° | 0.0° |
| N29 | C30 | C31 | N32 | 65.3° | 180.0° |
| N29 | C30 | C31 | O33 | 116.3° | 0.1° |
| C30 | N29 | C28 | H281 | 1.0° | 60.0° |
| C30 | N29 | C28 | H282 | 121.3° | 59.9° |
| N29 | C30 | H301 | H302 | 116.7° | 120.0° |
| C31 | N32 | C34 | C35 | 78.3° | 155.1° |
| C31 | N32 | C34 | C39 | 156.1° | 85.0° |
| C31 | N32 | C34 | H321 | 180.0° | 180.0° |
| N32 | C31 | C30 | H301 | 55.8° | 60.0° |
| N32 | C31 | C30 | H302 | 173.6° | 60.1° |
| C31 | N32 | C34 | H341 | 38.1° | 35.0° |
| O33 | C31 | N32 | C34 | 0.3° | 0.1° |
| O33 | C31 | C30 | H301 | 122.7° | 119.9° |
| O33 | C31 | C30 | H302 | 4.8° | 120.1° |
| O33 | C31 | N32 | H321 | 179.7° | 179.9° |
| C35 | C34 | C39 | N32 | 125.0° | 120.0° |
| C35 | C34 | C39 | H341 | 116.8° | 120.0° |
| C35 | C34 | N32 | H341 | 116.4° | 120.1° |
| C34 | C35 | C36 | H351 | 121.1° | 120.0° |
| C34 | C35 | C36 | H352 | 121.1° | 120.1° |
| C34 | C35 | C36 | C37 | 49.8° | 60.0° |
| C35 | C34 | C39 | C38 | 38.2° | 60.0° |
| C34 | C35 | H351 | H352 | 116.5° | 120.0° |
| C34 | C35 | C36 | H361 | 70.7° | 59.9° |
| C34 | C35 | C36 | H362 | 170.3° | 180.0° |
| C35 | C34 | C39 | H392 | 82.8° | 60.0° |
| C35 | C34 | C39 | H391 | 159.3° | 180.0° |
| C35 | C34 | N32 | H321 | 101.7° | 24.9° |
| C39 | C34 | N32 | H341 | 117.9° | 120.0° |
| C39 | C34 | C35 | C36 | 38.0° | 60.0° |
| C34 | C39 | C38 | C37 | 50.0° | 60.0° |
| C34 | C39 | C38 | H392 | 121.1° | 120.0° |
| C34 | C39 | C38 | H391 | 121.1° | 120.0° |
| C39 | C34 | C35 | H351 | 159.1° | 180.0° |
| C39 | C34 | C35 | H352 | 83.1° | 60.0° |
| C34 | C39 | C38 | H382 | 70.3° | 59.9° |
| C34 | C39 | C38 | H381 | 170.3° | 179.9° |
| C34 | C39 | H392 | H391 | 116.5° | 120.0° |
| C39 | C34 | N32 | H321 | 23.9° | 95.0° |
| N32 | C34 | C35 | C36 | 88.7° | 59.9° |
| N32 | C34 | C39 | C38 | 86.7° | 60.0° |
| N32 | C34 | C35 | H351 | 32.4° | 60.1° |
| N32 | C34 | C35 | H352 | 150.2° | 180.0° |
| N32 | C34 | C39 | H392 | 152.2° | 180.0° |
| N32 | C34 | C39 | H391 | 34.3° | 60.0° |
| C35 | C36 | C37 | H361 | 120.5° | 120.0° |
| C35 | C36 | C37 | H362 | 120.5° | 120.0° |
| C35 | C36 | C37 | C38 | 58.1° | 60.0° |
| C35 | C36 | C37 | C40 | 179.2° | 180.0° |
| C36 | C35 | C34 | H341 | 154.7° | 180.0° |
| C36 | C35 | H351 | H352 | 116.5° | 120.0° |
| C35 | C36 | H361 | H362 | 118.6° | 120.1° |
| C35 | C36 | C37 | H371 | 62.9° | 60.0° |
| C36 | C37 | C38 | C40 | 116.1° | 120.0° |
| C36 | C37 | C38 | H371 | 120.9° | 120.1° |
| C36 | C37 | C40 | H371 | 118.3° | 120.0° |
| C36 | C37 | C38 | C39 | 57.6° | 60.0° |
| C36 | C37 | C40 | N41 | 84.3° | 85.0° |
| C36 | C37 | C40 | N44 | 94.1° | 94.7° |
| C37 | C36 | C35 | H351 | 170.9° | 180.0° |
| C37 | C36 | C35 | H352 | 71.3° | 60.0° |
| C37 | C36 | H361 | H362 | 118.6° | 119.9° |
| C36 | C37 | C38 | H382 | 62.7° | 60.0° |
| C36 | C37 | C38 | H381 | 177.9° | 180.0° |
| C38 | C37 | C40 | H371 | 123.3° | 120.0° |
| C37 | C38 | C39 | H382 | 120.3° | 119.9° |
| C37 | C38 | C39 | H381 | 120.3° | 119.9° |
| C38 | C37 | C40 | N41 | 157.3° | 35.0° |
| C38 | C37 | C40 | N44 | 24.3° | 145.3° |
| C38 | C37 | C36 | H361 | 62.3° | 60.0° |
| C38 | C37 | C36 | H362 | 178.6° | 179.9° |
| C37 | C38 | H382 | H381 | 119.1° | 120.0° |
| C37 | C38 | C39 | H392 | 71.1° | 60.0° |
| C37 | C38 | C39 | H391 | 171.1° | 180.0° |
| C40 | C37 | C38 | C39 | 173.7° | 180.0° |
| C37 | C40 | N41 | N44 | 178.6° | 179.8° |
| C37 | C40 | N41 | C42 | 179.4° | 180.0° |
| C37 | C40 | N44 | C43 | 179.1° | 180.0° |
| C40 | C37 | C36 | H361 | 58.7° | 60.0° |
| C40 | C37 | C36 | H362 | 60.3° | 59.9° |
| C40 | C37 | C38 | H382 | 53.4° | 60.0° |
| C40 | C37 | C38 | H381 | 66.0° | 60.0° |
| C37 | C40 | N41 | H6 | 0.6° | 0.0° |
| C38 | C39 | C34 | H341 | 155.0° | 180.0° |
| C39 | C38 | C37 | H371 | 63.3° | 60.1° |
| C39 | C38 | H382 | H381 | 119.1° | 120.1° |
| C38 | C39 | H392 | H391 | 116.5° | 119.9° |
| C40 | N41 | C42 | C43 | 0.7° | 0.1° |
| C40 | N41 | C42 | C45 | 179.3° | 179.8° |
| C40 | N41 | C42 | H6 | 180.0° | 179.9° |
| N41 | C40 | N44 | C43 | 0.5° | 0.2° |
| N41 | C40 | C37 | H371 | 34.0° | 154.9° |
| C40 | N44 | C43 | C42 | 0.1° | 0.1° |
| N44 | C40 | N41 | C42 | 0.8° | 0.2° |
| C40 | N44 | C43 | C48 | 179.5° | 179.8° |
| N44 | C40 | C37 | H371 | 147.6° | 25.3° |
| N44 | C40 | N41 | H6 | 179.2° | 179.8° |
| C43 | C42 | C45 | N41 | 179.9° | 179.9° |
| C42 | C43 | C48 | N44 | 179.5° | 180.0° |
| C43 | C42 | C45 | C46 | 0.1° | 0.1° |
| C42 | C43 | C48 | C47 | 0.2° | 0.0° |
| C43 | C42 | C45 | H451 | 179.9° | 180.0° |
| C42 | C43 | C48 | H481 | 179.9° | 179.9° |
| C43 | C42 | N41 | H6 | 179.3° | 179.8° |
| C45 | C42 | C43 | C48 | 0.0° | 0.0° |
| C45 | C42 | C43 | N44 | 179.6° | 179.9° |
| C42 | C45 | C46 | H451 | 180.0° | 179.9° |
| C42 | C45 | C46 | C47 | 0.1° | 0.1° |
| C42 | C45 | C46 | O49 | 180.0° | 179.9° |
| C45 | C42 | N41 | H6 | 0.6° | 0.2° |
| N41 | C42 | C43 | C48 | 179.9° | 180.0° |
| N41 | C42 | C43 | N44 | 0.4° | 0.0° |
| N41 | C42 | C45 | C46 | 179.8° | 180.0° |
| N41 | C42 | C45 | H451 | 0.2° | 0.1° |
| C43 | C48 | C47 | C46 | 0.2° | 0.0° |
| C43 | C48 | C47 | H481 | 180.0° | 179.9° |
| C43 | C48 | C47 | H471 | 179.8° | 180.0° |
| N44 | C43 | C48 | C47 | 179.7° | 180.0° |
| N44 | C43 | C48 | H481 | 0.4° | 0.1° |
| C45 | C46 | C47 | O49 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 0.1° | 0.0° |
| C45 | C46 | O49 | C50 | 78.7° | 180.0° |
| C45 | C46 | C47 | H471 | 179.9° | 180.0° |
| C46 | C47 | C48 | H471 | 180.0° | 180.0° |
| C47 | C46 | O49 | C50 | 101.3° | 0.0° |
| C47 | C46 | C45 | H451 | 179.9° | 180.0° |
| C46 | C47 | C48 | H481 | 179.8° | 179.9° |
| O49 | C46 | C47 | C48 | 179.9° | 180.0° |
| C46 | O49 | C50 | C65 | 125.1° | 180.0° |
| O49 | C46 | C45 | H451 | 0.0° | 0.0° |
| O49 | C46 | C47 | H471 | 0.1° | 0.0° |
| C46 | O49 | C50 | H501 | 5.2° | 60.0° |
| C46 | O49 | C50 | H502 | 115.0° | 60.0° |
| C65 | C50 | O49 | H501 | 119.9° | 120.0° |
| C65 | C50 | O49 | H502 | 119.9° | 120.0° |
| C50 | C65 | C66 | H652 | 120.2° | 120.0° |
| C50 | C65 | C66 | H651 | 120.2° | 120.0° |
| C50 | C65 | C66 | N59 | 133.8° | 180.0° |
| C65 | C50 | H501 | H502 | 120.2° | 120.0° |
| C50 | C65 | H652 | H651 | 119.2° | 120.0° |
| C50 | C65 | C66 | H662 | 14.1° | 60.0° |
| C50 | C65 | C66 | H661 | 106.5° | 60.0° |
| O49 | C50 | C65 | C66 | 123.5° | 180.0° |
| O49 | C50 | H501 | H502 | 120.2° | 120.0° |
| O49 | C50 | C65 | H652 | 116.2° | 60.0° |
| O49 | C50 | C65 | H651 | 3.3° | 60.0° |
| C53 | C52 | C55 | N51 | 179.8° | 179.9° |
| C52 | C53 | C54 | C58 | 179.9° | 180.0° |
| C53 | C52 | C55 | C56 | 0.3° | 0.0° |
| C52 | C53 | C58 | C57 | 0.0° | 0.0° |
| C52 | C53 | C54 | H541 | 179.4° | 179.9° |
| C53 | C52 | C55 | H551 | 179.7° | 180.0° |
| C52 | C53 | C58 | H581 | 179.9° | 180.0° |
| C53 | C52 | N51 | H8 | 180.0° | 179.9° |
| C55 | C52 | C53 | C54 | 179.9° | 179.9° |
| C55 | C52 | C53 | C58 | 0.1° | 0.0° |
| C52 | C55 | C56 | H551 | 180.0° | 179.9° |
| C52 | C55 | C56 | C57 | 0.3° | 0.0° |
| C52 | C55 | C56 | H561 | 179.7° | 180.0° |
| C55 | C52 | N51 | H8 | 0.2° | 0.1° |
| N51 | C52 | C53 | C54 | 0.3° | 0.0° |
| N51 | C52 | C53 | C58 | 179.8° | 180.0° |
| N51 | C52 | C55 | C56 | 179.5° | 180.0° |
| N51 | C52 | C55 | H551 | 0.5° | 0.1° |
| C54 | C53 | C58 | C57 | 179.9° | 180.0° |
| C54 | C53 | C58 | H581 | 0.0° | 0.0° |
| C53 | C58 | C57 | C56 | 0.0° | 0.0° |
| C53 | C58 | C57 | H581 | 180.0° | 180.0° |
| C58 | C53 | C54 | H541 | 0.5° | 0.1° |
| C53 | C58 | C57 | H571 | 180.0° | 180.0° |
| C55 | C56 | C57 | H561 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.2° | 0.0° |
| C55 | C56 | C57 | H571 | 179.8° | 180.0° |
| C56 | C57 | C58 | H571 | 180.0° | 180.0° |
| C57 | C56 | C55 | H551 | 179.6° | 180.0° |
| C56 | C57 | C58 | H581 | 180.0° | 180.0° |
| C58 | C57 | C56 | H561 | 179.8° | 180.0° |
| C61 | C60 | N59 | H601 | 120.5° | 119.9° |
| C61 | C60 | N59 | H602 | 120.5° | 120.0° |
| C60 | C61 | N62 | H612 | 119.7° | 119.6° |
| C60 | C61 | N62 | H611 | 119.6° | 119.8° |
| C60 | C61 | N62 | C63 | 25.5° | 51.1° |
| C61 | C60 | N59 | C64 | 61.3° | 63.1° |
| C61 | C60 | N59 | C66 | 74.6° | 172.8° |
| C61 | C60 | H601 | H602 | 118.3° | 120.0° |
| C60 | C61 | H612 | H611 | 121.0° | 120.5° |
| N59 | C60 | C61 | N62 | 55.2° | 53.8° |
| C60 | N59 | C64 | C63 | 33.1° | 63.2° |
| C60 | N59 | C64 | C66 | 136.8° | 124.1° |
| C60 | N59 | C66 | C65 | 141.8° | 170.0° |
| N59 | C60 | H601 | H602 | 118.4° | 120.1° |
| N59 | C60 | C61 | H612 | 174.8° | 65.9° |
| N59 | C60 | C61 | H611 | 64.5° | 173.6° |
| C60 | N59 | C64 | H641 | 88.1° | 176.9° |
| C60 | N59 | C64 | H642 | 154.4° | 56.8° |
| C60 | N59 | C66 | H662 | 22.1° | 50.1° |
| C60 | N59 | C66 | H661 | 98.6° | 70.0° |
| C61 | N62 | C63 | C64 | 2.4° | 51.1° |
| N62 | C61 | C60 | H601 | 175.7° | 66.2° |
| N62 | C61 | C60 | H602 | 65.3° | 173.8° |
| N62 | C61 | H612 | H611 | 121.0° | 120.5° |
| C61 | N62 | C63 | H631 | 118.4° | 170.9° |
| C61 | N62 | C63 | H632 | 123.3° | 68.5° |
| C64 | C63 | N62 | H631 | 120.9° | 119.7° |
| C64 | C63 | N62 | H632 | 120.9° | 119.7° |
| C63 | C64 | N59 | H641 | 121.2° | 119.9° |
| C63 | C64 | N59 | H642 | 121.3° | 120.0° |
| C63 | C64 | N59 | C66 | 103.6° | 172.8° |
| C64 | C63 | H631 | H632 | 117.3° | 120.5° |
| C63 | C64 | H641 | H642 | 116.1° | 120.1° |
| N62 | C63 | C64 | N59 | 2.0° | 53.8° |
| C63 | N62 | C61 | H612 | 145.2° | 68.5° |
| C63 | N62 | C61 | H611 | 94.1° | 170.9° |
| N62 | C63 | H631 | H632 | 117.3° | 120.5° |
| N62 | C63 | C64 | H641 | 119.2° | 173.7° |
| N62 | C63 | C64 | H642 | 123.3° | 66.2° |
| C64 | N59 | C66 | C65 | 79.9° | 65.8° |
| C64 | N59 | C60 | H601 | 178.1° | 56.8° |
| C64 | N59 | C60 | H602 | 59.2° | 176.9° |
| N59 | C64 | C63 | H631 | 118.8° | 173.6° |
| N59 | C64 | C63 | H632 | 122.9° | 65.8° |
| N59 | C64 | H641 | H642 | 116.1° | 120.1° |
| C64 | N59 | C66 | H662 | 160.4° | 174.3° |
| C64 | N59 | C66 | H661 | 39.7° | 54.3° |
| C65 | C66 | N59 | H662 | 119.7° | 120.0° |
| C65 | C66 | N59 | H661 | 119.6° | 120.0° |
| C66 | C65 | C50 | H501 | 116.6° | 60.0° |
| C66 | C65 | C50 | H502 | 3.6° | 60.0° |
| C66 | C65 | H652 | H651 | 119.2° | 120.0° |
| C65 | C66 | H662 | H661 | 121.0° | 120.1° |
| C66 | N59 | C60 | H601 | 46.0° | 67.3° |
| C66 | N59 | C60 | H602 | 164.9° | 52.8° |
| C66 | N59 | C64 | H641 | 135.1° | 52.8° |
| C66 | N59 | C64 | H642 | 17.6° | 67.3° |
| N59 | C66 | C65 | H652 | 106.0° | 60.0° |
| N59 | C66 | C65 | H651 | 13.5° | 60.0° |
| N59 | C66 | H662 | H661 | 121.0° | 120.0° |
| H31 | C3 | C15 | H151 | 158.2° | 174.9° |
| H31 | C3 | C15 | H152 | 81.7° | 65.1° |
| H172 | C17 | H173 | H171 | 120.0° | 120.0° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H181 | C18 | C11 | C6 | 90.2° | 95.2° |
| H183 | C18 | C11 | C6 | 29.8° | 144.8° |
| H182 | C18 | C11 | C6 | 149.8° | 24.8° |
| H191 | C19 | H193 | H192 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.1° | 0.0° |
| H241 | C24 | C25 | H251 | 0.8° | 0.0° |
| H281 | C28 | N29 | H4 | 122.0° | 176.1° |
| H282 | C28 | N29 | H4 | 0.4° | 64.0° |
| H301 | C30 | N29 | H4 | 62.0° | 63.9° |
| H302 | C30 | N29 | H4 | 55.9° | 176.0° |
| H341 | C34 | C35 | H351 | 84.2° | 60.0° |
| H341 | C34 | C35 | H352 | 33.6° | 59.9° |
| H341 | C34 | C39 | H392 | 33.9° | 60.0° |
| H341 | C34 | C39 | H391 | 83.9° | 60.0° |
| H341 | C34 | N32 | H321 | 141.9° | 145.0° |
| H351 | C35 | C36 | H361 | 50.4° | 60.0° |
| H351 | C35 | C36 | H362 | 68.6° | 60.0° |
| H352 | C35 | C36 | H361 | 168.2° | 180.0° |
| H352 | C35 | C36 | H362 | 49.2° | 60.0° |
| H361 | C36 | C37 | H371 | 176.7° | 180.0° |
| H362 | C36 | C37 | H371 | 57.6° | 60.0° |
| H371 | C37 | C38 | H382 | 176.4° | 180.0° |
| H371 | C37 | C38 | H381 | 57.0° | 59.9° |
| H382 | C38 | C39 | H392 | 168.6° | 180.0° |
| H382 | C38 | C39 | H391 | 50.8° | 60.1° |
| H381 | C38 | C39 | H392 | 49.2° | 59.9° |
| H381 | C38 | C39 | H391 | 68.6° | 60.1° |
| H471 | C47 | C48 | H481 | 0.1° | 0.0° |
| H501 | C50 | C65 | H652 | 3.7° | 60.0° |
| H501 | C50 | C65 | H651 | 123.2° | 180.0° |
| H502 | C50 | C65 | H652 | 123.8° | 180.0° |
| H502 | C50 | C65 | H651 | 116.7° | 60.0° |
| H551 | C55 | C56 | H561 | 0.4° | 0.1° |
| H561 | C56 | C57 | H571 | 0.2° | 0.0° |
| H571 | C57 | C58 | H581 | 0.0° | 0.0° |
| H601 | C60 | C61 | H612 | 64.6° | 174.2° |
| H601 | C60 | C61 | H611 | 56.1° | 53.6° |
| H602 | C60 | C61 | H612 | 54.3° | 54.1° |
| H602 | C60 | C61 | H611 | 175.0° | 66.5° |
| H631 | C63 | C64 | H641 | 119.9° | 66.5° |
| H631 | C63 | C64 | H642 | 2.4° | 53.6° |
| H632 | C63 | C64 | H641 | 1.7° | 54.1° |
| H632 | C63 | C64 | H642 | 115.9° | 174.2° |
| H652 | C65 | C66 | H662 | 134.4° | 180.0° |
| H652 | C65 | C66 | H661 | 13.7° | 60.0° |
| H651 | C65 | C66 | H662 | 106.1° | 60.0° |
| H651 | C65 | C66 | H661 | 133.2° | 180.0° |
