B13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | P | doub | 1.49Å | 1.47Å | |
| P | O2 | sing | 1.61Å | 1.62Å | |
| P | O3 | sing | 1.59Å | 1.60Å | |
| P | O4 | sing | 1.49Å | 1.45Å | |
| O4 | HO4 | sing | 133.28Å | 0.95Å | |
| O2 | C3R | sing | 1.43Å | 1.44Å | |
| C3R | C4R | sing | 1.54Å | 1.56Å | |
| C3R | C2R | sing | 1.54Å | 1.48Å | |
| C3R | H3R | sing | 0.99Å | 1.10Å | |
| C4R | H4R | sing | 0.99Å | 1.10Å | |
| C4R | C5R | sing | 1.52Å | 1.21Å | |
| C4R | O6R | sing | 1.44Å | 1.41Å | |
| C5R | H1 | sing | 0.98Å | 1.10Å | |
| C5R | O8R | sing | 1.42Å | 1.56Å | |
| C5R | H5R | sing | 0.98Å | 1.08Å | |
| O8R | HO8R | sing | 0.85Å | 0.95Å | |
| O6R | C1R | sing | 1.43Å | 1.44Å | |
| C1R | N1B | sing | 1.46Å | 1.53Å | |
| C1R | C2R | sing | 1.53Å | 1.55Å | |
| C1R | H1R | sing | 0.99Å | 1.10Å | |
| N1B | C8B | sing | 1.38Å | 1.36Å | Aromatic |
| N1B | C2B | sing | 1.36Å | 1.42Å | Aromatic |
| C2B | N3B | doub | 1.31Å | 1.33Å | Aromatic |
| C2B | H2B | sing | 0.94Å | 1.08Å | |
| N3B | C9B | sing | 1.39Å | 1.38Å | Aromatic |
| C9B | C8B | doub | 1.40Å | 1.42Å | Aromatic |
| C9B | C4B | sing | 1.40Å | 1.42Å | Aromatic |
| C4B | C5B | doub | 1.38Å | 1.41Å | Aromatic |
| C4B | H4B | sing | 0.95Å | 1.08Å | |
| C5B | C6B | sing | 1.40Å | 1.46Å | Aromatic |
| C5B | O5B | sing | 1.37Å | 1.51Å | |
| O5B | HO5B | sing | 0.86Å | 0.95Å | |
| C6B | C7B | doub | 1.37Å | 1.38Å | Aromatic |
| C6B | H6B | sing | 0.94Å | 1.08Å | |
| C7B | C8B | sing | 1.39Å | 1.42Å | Aromatic |
| C7B | H7B | sing | 0.94Å | 1.08Å | |
| C2R | O7R | sing | 1.42Å | 1.38Å | |
| C2R | H2R | sing | 0.99Å | 1.10Å | |
| O7R | HO7R | sing | 0.84Å | 0.95Å | |
| O3 | C2P | sing | 1.45Å | 1.40Å | |
| C2P | C3P | sing | 1.51Å | 1.51Å | |
| C2P | C1P | sing | 1.52Å | 1.51Å | |
| C2P | H2P | sing | 0.99Å | 1.10Å | |
| C3P | H3P1 | sing | 0.97Å | 1.10Å | |
| C3P | H3P2 | sing | 0.97Å | 1.10Å | |
| C3P | H3P3 | sing | 0.97Å | 1.10Å | |
| C1P | N59 | sing | 1.46Å | 1.47Å | |
| C1P | H1P1 | sing | 0.99Å | 1.10Å | |
| C1P | H1P2 | sing | 0.99Å | 1.10Å | |
| N59 | C57 | sing | 1.35Å | 1.31Å | |
| N59 | HN59 | sing | 0.87Å | 1.00Å | |
| C57 | O58 | doub | 1.24Å | 1.24Å | |
| C57 | C56 | sing | 1.51Å | 1.50Å | |
| C56 | C55 | sing | 1.54Å | 1.53Å | |
| C56 | H561 | sing | 0.97Å | 1.10Å | |
| C56 | H562 | sing | 0.97Å | 1.10Å | |
| C55 | C17 | sing | 1.56Å | 1.60Å | |
| C55 | H551 | sing | 0.98Å | 1.10Å | |
| C55 | H552 | sing | 0.98Å | 1.10Å | |
| C17 | C54 | sing | 1.56Å | 1.55Å | |
| C17 | C18 | sing | 1.60Å | 1.57Å | |
| C17 | C16 | sing | 1.61Å | 1.59Å | |
| C54 | H541 | sing | 0.97Å | 1.10Å | |
| C54 | H542 | sing | 0.98Å | 1.10Å | |
| C54 | H543 | sing | 0.97Å | 1.10Å | |
| C18 | C60 | sing | 1.56Å | 1.55Å | |
| C18 | C19 | sing | 1.57Å | 1.55Å | |
| C18 | H18 | sing | 0.99Å | 1.10Å | |
| C60 | C61 | sing | 1.52Å | 1.47Å | |
| C60 | H601 | sing | 0.97Å | 1.10Å | |
| C60 | H602 | sing | 0.97Å | 1.10Å | |
| C61 | N62 | sing | 1.33Å | 1.31Å | |
| C61 | O63 | doub | 1.24Å | 1.26Å | |
| N62 | H621 | sing | 0.89Å | 1.00Å | |
| N62 | H622 | sing | 0.89Å | 1.00Å | |
| C19 | N24 | sing | 1.49Å | 1.48Å | |
| C19 | C1 | sing | 1.55Å | 1.52Å | |
| C19 | H19 | sing | 0.98Å | 1.10Å | |
| C1 | C20 | sing | 1.54Å | 1.61Å | |
| C1 | C2 | sing | 1.66Å | 1.60Å | |
| C1 | N21 | sing | 1.50Å | 1.50Å | |
| C2 | C25 | sing | 1.56Å | 1.59Å | |
| C2 | C26 | sing | 1.59Å | 1.58Å | |
| C2 | C3 | sing | 1.59Å | 1.57Å | |
| C3 | C30 | sing | 1.55Å | 1.57Å | |
| C3 | C4 | sing | 1.60Å | 1.52Å | |
| C3 | H3 | sing | 0.98Å | 1.10Å | |
| C4 | N21 | sing | 1.47Å | 1.32Å | |
| C4 | C5 | sing | 1.57Å | 1.44Å | |
| C4 | H4 | sing | 0.99Å | 1.10Å | |
| C5 | C6 | doub | 1.44Å | 1.35Å | |
| C5 | C35 | sing | 1.52Å | 1.56Å | |
| C35 | H351 | sing | 0.97Å | 1.10Å | |
| C35 | H352 | sing | 0.97Å | 1.10Å | |
| C35 | H353 | sing | 0.97Å | 1.10Å | |
| C30 | C31 | sing | 1.54Å | 1.51Å | |
| C30 | H301 | sing | 0.98Å | 1.10Å | |
| C30 | H302 | sing | 0.98Å | 1.10Å | |
| C31 | C32 | sing | 1.52Å | 1.47Å | |
| C31 | H311 | sing | 0.97Å | 1.10Å | |
| C31 | H312 | sing | 0.97Å | 1.10Å | |
| C32 | N33 | sing | 1.33Å | 1.32Å | |
| C32 | O34 | doub | 1.24Å | 1.24Å | |
| N33 | H331 | sing | 0.89Å | 1.00Å | |
| N33 | H332 | sing | 0.89Å | 1.00Å | |
| C26 | C27 | sing | 1.52Å | 1.52Å | |
| C26 | H261 | sing | 0.99Å | 1.10Å | |
| C26 | H262 | sing | 0.99Å | 1.10Å | |
| C27 | N29 | sing | 1.33Å | 1.32Å | |
| C27 | O28 | doub | 1.24Å | 1.25Å | |
| N29 | H291 | sing | 0.89Å | 1.00Å | |
| N29 | H292 | sing | 0.89Å | 1.00Å | |
| C25 | H251 | sing | 0.97Å | 1.10Å | |
| C25 | H252 | sing | 0.97Å | 1.10Å | |
| C25 | H253 | sing | 0.97Å | 1.10Å | |
| C20 | H201 | sing | 0.97Å | 1.10Å | |
| C20 | H202 | sing | 0.98Å | 1.10Å | |
| C20 | H203 | sing | 0.98Å | 1.10Å | |
| N21 | CO | sing | 1.97Å | 1.84Å | |
| N24 | C16 | sing | 1.47Å | 1.32Å | |
| N24 | CO | sing | 1.90Å | 1.83Å | |
| CO | N23 | sing | 1.99Å | 1.92Å | |
| CO | N22 | sing | 1.96Å | 1.87Å | |
| C16 | C15 | sing | 1.57Å | 1.43Å | |
| C16 | H16 | sing | 0.99Å | 1.10Å | |
| C15 | C53 | sing | 1.52Å | 1.51Å | |
| C15 | C14 | doub | 1.44Å | 1.40Å | |
| C53 | H531 | sing | 0.96Å | 1.10Å | |
| C53 | H532 | sing | 0.97Å | 1.10Å | |
| C53 | H533 | sing | 0.97Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C14 | N23 | sing | 1.31Å | 1.39Å | |
| N23 | C11 | sing | 1.47Å | 1.37Å | |
| C13 | C48 | sing | 1.56Å | 1.56Å | |
| C13 | C12 | sing | 1.60Å | 1.53Å | |
| C13 | H13 | sing | 0.99Å | 1.10Å | |
| C48 | C49 | sing | 1.54Å | 1.54Å | |
| C48 | H481 | sing | 0.98Å | 1.10Å | |
| C48 | H482 | sing | 0.99Å | 1.10Å | |
| C49 | C50 | sing | 1.52Å | 1.52Å | |
| C49 | H491 | sing | 0.97Å | 1.10Å | |
| C49 | H492 | sing | 0.97Å | 1.10Å | |
| C50 | O51 | doub | 1.24Å | 1.24Å | |
| C50 | N52 | sing | 1.33Å | 1.30Å | |
| N52 | H521 | sing | 0.89Å | 1.00Å | |
| N52 | H522 | sing | 0.89Å | 1.00Å | |
| C12 | C47 | sing | 1.55Å | 1.58Å | |
| C12 | C11 | sing | 1.60Å | 1.54Å | |
| C12 | C46 | sing | 1.55Å | 1.58Å | |
| C46 | H461 | sing | 0.98Å | 1.10Å | |
| C46 | H462 | sing | 0.97Å | 1.10Å | |
| C46 | H463 | sing | 0.98Å | 1.10Å | |
| C47 | H471 | sing | 0.98Å | 1.10Å | |
| C47 | H472 | sing | 0.97Å | 1.10Å | |
| C47 | H473 | sing | 0.98Å | 1.10Å | |
| C11 | C10 | sing | 1.54Å | 1.36Å | |
| C11 | H11 | sing | 0.99Å | 1.10Å | |
| C10 | C9 | doub | 1.39Å | 1.36Å | |
| C10 | H10 | sing | 0.94Å | 1.08Å | |
| C9 | N22 | sing | 1.35Å | 1.34Å | |
| C9 | C8 | sing | 1.52Å | 1.51Å | |
| N22 | C6 | sing | 1.37Å | 1.41Å | |
| C8 | C41 | sing | 1.56Å | 1.57Å | |
| C8 | C7 | sing | 1.57Å | 1.56Å | |
| C8 | H8 | sing | 0.99Å | 1.10Å | |
| C41 | C42 | sing | 1.54Å | 1.52Å | |
| C41 | H411 | sing | 0.98Å | 1.10Å | |
| C41 | H412 | sing | 0.99Å | 1.10Å | |
| C42 | C43 | sing | 1.52Å | 1.53Å | |
| C42 | H421 | sing | 0.97Å | 1.10Å | |
| C42 | H422 | sing | 0.97Å | 1.10Å | |
| C43 | O44 | doub | 1.24Å | 1.25Å | |
| C43 | N45 | sing | 1.33Å | 1.30Å | |
| N45 | H451 | sing | 0.89Å | 1.00Å | |
| N45 | H452 | sing | 0.89Å | 1.00Å | |
| C7 | C6 | sing | 1.55Å | 1.58Å | |
| C7 | C37 | sing | 1.58Å | 1.58Å | |
| C7 | C36 | sing | 1.55Å | 1.58Å | |
| C36 | H361 | sing | 0.98Å | 1.10Å | |
| C36 | H362 | sing | 0.98Å | 1.10Å | |
| C36 | H363 | sing | 0.98Å | 1.10Å | |
| C37 | C38 | sing | 1.52Å | 1.50Å | |
| C37 | H371 | sing | 0.97Å | 1.10Å | |
| C37 | H372 | sing | 0.97Å | 1.10Å | |
| C38 | N40 | sing | 1.33Å | 1.31Å | |
| C38 | O39 | doub | 1.24Å | 1.25Å | |
| N40 | H401 | sing | 0.89Å | 1.00Å | |
| N40 | H402 | sing | 0.89Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | P | O2 | 109.6° | 110.7° |
| O5 | P | O3 | 109.1° | 107.7° |
| O5 | P | O4 | 119.3° | 117.6° |
| O2 | P | O3 | 101.6° | 100.7° |
| O2 | P | O4 | 112.9° | 108.1° |
| P | O2 | C3R | 123.7° | 122.6° |
| O3 | P | O4 | 102.5° | 110.6° |
| P | O3 | C2P | 126.0° | 122.6° |
| P | O4 | HO4 | 109.5° | 72.6° |
| O2 | C3R | C4R | 102.4° | 108.8° |
| O2 | C3R | C2R | 117.1° | 113.1° |
| O2 | C3R | H3R | 107.0° | 110.3° |
| C4R | C3R | C2R | 100.8° | 104.4° |
| C4R | C3R | H3R | 121.8° | 111.2° |
| C3R | C4R | H4R | 117.9° | 108.7° |
| C3R | C4R | C5R | 129.9° | 117.1° |
| C3R | C4R | O6R | 103.1° | 105.4° |
| C2R | C3R | H3R | 108.4° | 109.0° |
| C3R | C2R | C1R | 102.2° | 103.0° |
| C3R | C2R | O7R | 124.9° | 111.8° |
| C3R | C2R | H2R | 107.4° | 108.6° |
| H4R | C4R | C5R | 33.7° | 108.1° |
| H4R | C4R | O6R | 130.2° | 108.4° |
| C5R | C4R | O6R | 126.3° | 108.9° |
| C4R | C5R | H1 | 121.7° | 109.5° |
| C4R | C5R | O8R | 116.1° | 111.1° |
| C4R | C5R | H5R | 121.9° | 109.5° |
| C4R | O6R | C1R | 102.9° | 112.1° |
| H1 | C5R | O8R | 122.2° | 109.3° |
| H1 | C5R | H5R | 0.3° | 108.3° |
| O8R | C5R | H5R | 121.9° | 109.2° |
| C5R | O8R | HO8R | 109.5° | 109.0° |
| O6R | C1R | N1B | 115.3° | 109.5° |
| O6R | C1R | C2R | 108.6° | 106.5° |
| O6R | C1R | H1R | 108.3° | 107.8° |
| N1B | C1R | C2R | 115.3° | 115.4° |
| N1B | C1R | H1R | 100.4° | 108.7° |
| C1R | N1B | C8B | 133.6° | 126.0° |
| C1R | N1B | C2B | 112.9° | 127.8° |
| C2R | C1R | H1R | 108.3° | 108.6° |
| C1R | C2R | O7R | 117.0° | 113.2° |
| C1R | C2R | H2R | 117.5° | 109.5° |
| C8B | N1B | C2B | 106.9° | 106.1° |
| N1B | C8B | C9B | 106.9° | 106.1° |
| N1B | C8B | C7B | 128.7° | 132.9° |
| N1B | C2B | N3B | 110.3° | 113.5° |
| N1B | C2B | H2B | 124.8° | 122.5° |
| N3B | C2B | H2B | 124.8° | 124.1° |
| C2B | N3B | C9B | 107.2° | 105.6° |
| N3B | C9B | C8B | 108.6° | 108.7° |
| N3B | C9B | C4B | 132.1° | 130.8° |
| C8B | C9B | C4B | 119.3° | 120.5° |
| C9B | C8B | C7B | 124.3° | 121.0° |
| C9B | C4B | C5B | 117.5° | 118.1° |
| C9B | C4B | H4B | 121.2° | 120.7° |
| C5B | C4B | H4B | 121.2° | 121.2° |
| C4B | C5B | C6B | 121.0° | 121.1° |
| C4B | C5B | O5B | 119.8° | 117.0° |
| C6B | C5B | O5B | 119.1° | 121.9° |
| C5B | C6B | C7B | 122.0° | 121.3° |
| C5B | C6B | H6B | 119.0° | 119.4° |
| C5B | O5B | HO5B | 109.5° | 110.6° |
| C7B | C6B | H6B | 119.0° | 119.3° |
| C6B | C7B | C8B | 115.7° | 118.0° |
| C6B | C7B | H7B | 122.2° | 120.5° |
| C8B | C7B | H7B | 122.1° | 121.5° |
| O7R | C2R | H2R | 87.9° | 110.3° |
| C2R | O7R | HO7R | 109.5° | 110.6° |
| O3 | C2P | C3P | 108.9° | 108.4° |
| O3 | C2P | C1P | 106.8° | 107.5° |
| O3 | C2P | H2P | 111.2° | 110.0° |
| C3P | C2P | C1P | 108.3° | 114.8° |
| C3P | C2P | H2P | 109.8° | 109.2° |
| C2P | C3P | H3P1 | 109.5° | 109.7° |
| C2P | C3P | H3P2 | 109.5° | 109.5° |
| C2P | C3P | H3P3 | 109.5° | 109.6° |
| C1P | C2P | H2P | 111.8° | 107.0° |
| C2P | C1P | N59 | 112.9° | 113.1° |
| C2P | C1P | H1P1 | 108.3° | 109.3° |
| C2P | C1P | H1P2 | 107.6° | 108.8° |
| H3P1 | C3P | H3P2 | 109.5° | 109.3° |
| H3P1 | C3P | H3P3 | 109.4° | 109.4° |
| H3P2 | C3P | H3P3 | 109.5° | 109.3° |
| N59 | C1P | H1P1 | 108.3° | 109.0° |
| N59 | C1P | H1P2 | 107.6° | 108.5° |
| C1P | N59 | C57 | 119.0° | 126.0° |
| C1P | N59 | HN59 | 120.5° | 117.1° |
| H1P1 | C1P | H1P2 | 112.2° | 108.0° |
| C57 | N59 | HN59 | 120.5° | 116.9° |
| N59 | C57 | O58 | 122.3° | 122.6° |
| N59 | C57 | C56 | 115.5° | 118.1° |
| O58 | C57 | C56 | 122.2° | 119.2° |
| C57 | C56 | C55 | 108.9° | 112.0° |
| C57 | C56 | H561 | 109.7° | 109.5° |
| C57 | C56 | H562 | 109.8° | 108.8° |
| C55 | C56 | H561 | 109.6° | 109.5° |
| C55 | C56 | H562 | 109.8° | 109.4° |
| C56 | C55 | C17 | 118.1° | 123.9° |
| C56 | C55 | H551 | 106.7° | 105.7° |
| C56 | C55 | H552 | 104.7° | 106.2° |
| H561 | C56 | H562 | 109.0° | 107.7° |
| C17 | C55 | H551 | 106.7° | 106.9° |
| C17 | C55 | H552 | 104.7° | 107.1° |
| C55 | C17 | C54 | 106.1° | 105.1° |
| C55 | C17 | C18 | 111.2° | 112.9° |
| C55 | C17 | C16 | 121.1° | 116.0° |
| H551 | C55 | H552 | 116.5° | 105.9° |
| C54 | C17 | C18 | 112.5° | 114.5° |
| C54 | C17 | C16 | 106.2° | 108.9° |
| C17 | C54 | H541 | 109.5° | 110.3° |
| C17 | C54 | H542 | 109.5° | 110.2° |
| C17 | C54 | H543 | 109.5° | 110.2° |
| C18 | C17 | C16 | 99.7° | 99.8° |
| C17 | C18 | C60 | 118.7° | 118.1° |
| C17 | C18 | C19 | 103.9° | 107.3° |
| C17 | C18 | H18 | 110.0° | 103.3° |
| C17 | C16 | N24 | 112.6° | 99.5° |
| C17 | C16 | C15 | 125.0° | 124.6° |
| C17 | C16 | H16 | 111.4° | 110.1° |
| H541 | C54 | H542 | 109.5° | 108.7° |
| H541 | C54 | H543 | 109.4° | 108.7° |
| H542 | C54 | H543 | 109.5° | 108.7° |
| C60 | C18 | C19 | 116.5° | 116.9° |
| C60 | C18 | H18 | 95.2° | 105.6° |
| C18 | C60 | C61 | 122.2° | 116.3° |
| C18 | C60 | H601 | 105.4° | 109.0° |
| C18 | C60 | H602 | 102.5° | 109.0° |
| C19 | C18 | H18 | 112.6° | 103.9° |
| C18 | C19 | N24 | 104.9° | 100.8° |
| C18 | C19 | C1 | 120.4° | 125.8° |
| C18 | C19 | H19 | 104.3° | 107.0° |
| C61 | C60 | H601 | 105.4° | 108.3° |
| C61 | C60 | H602 | 102.5° | 107.3° |
| C60 | C61 | N62 | 115.8° | 118.1° |
| C60 | C61 | O63 | 121.2° | 120.4° |
| H601 | C60 | H602 | 120.1° | 106.6° |
| N62 | C61 | O63 | 123.0° | 121.5° |
| C61 | N62 | H621 | 112.6° | 119.9° |
| C61 | N62 | H622 | 123.7° | 120.8° |
| H621 | N62 | H622 | 123.7° | 119.3° |
| N24 | C19 | C1 | 106.1° | 109.8° |
| N24 | C19 | H19 | 119.0° | 104.6° |
| C19 | N24 | C16 | 110.2° | 115.3° |
| C19 | N24 | CO | 112.7° | 111.6° |
| C1 | C19 | H19 | 103.1° | 107.0° |
| C19 | C1 | C20 | 109.5° | 110.4° |
| C19 | C1 | C2 | 120.0° | 121.2° |
| C19 | C1 | N21 | 101.2° | 103.4° |
| C20 | C1 | C2 | 115.8° | 118.0° |
| C20 | C1 | N21 | 104.9° | 97.6° |
| C1 | C20 | H201 | 109.5° | 110.4° |
| C1 | C20 | H202 | 109.5° | 110.1° |
| C1 | C20 | H203 | 109.4° | 110.8° |
| C2 | C1 | N21 | 102.9° | 101.3° |
| C1 | C2 | C25 | 113.7° | 111.2° |
| C1 | C2 | C26 | 108.4° | 116.1° |
| C1 | C2 | C3 | 101.6° | 100.7° |
| C1 | N21 | C4 | 111.9° | 114.5° |
| C1 | N21 | CO | 114.8° | 114.3° |
| C25 | C2 | C26 | 109.8° | 104.9° |
| C25 | C2 | C3 | 115.9° | 113.1° |
| C2 | C25 | H251 | 109.5° | 110.0° |
| C2 | C25 | H252 | 109.5° | 109.7° |
| C2 | C25 | H253 | 109.5° | 111.0° |
| C26 | C2 | C3 | 106.8° | 111.1° |
| C2 | C26 | C27 | 117.5° | 119.6° |
| C2 | C26 | H261 | 106.9° | 108.5° |
| C2 | C26 | H262 | 105.0° | 108.3° |
| C2 | C3 | C30 | 117.5° | 124.4° |
| C2 | C3 | C4 | 102.2° | 101.5° |
| C2 | C3 | H3 | 111.5° | 104.9° |
| C30 | C3 | C4 | 115.3° | 114.4° |
| C30 | C3 | H3 | 97.1° | 103.9° |
| C3 | C30 | C31 | 111.0° | 116.4° |
| C3 | C30 | H301 | 108.9° | 108.9° |
| C3 | C30 | H302 | 108.6° | 109.2° |
| C4 | C3 | H3 | 113.8° | 106.3° |
| C3 | C4 | N21 | 112.4° | 97.7° |
| C3 | C4 | C5 | 124.2° | 123.5° |
| C3 | C4 | H4 | 119.8° | 110.0° |
| N21 | C4 | C5 | 123.4° | 116.6° |
| N21 | C4 | H4 | 126.1° | 107.1° |
| C4 | N21 | CO | 133.3° | 119.1° |
| C5 | C4 | H4 | 14.1° | 101.3° |
| C4 | C5 | C6 | 119.5° | 124.9° |
| C4 | C5 | C35 | 116.9° | 113.7° |
| C6 | C5 | C35 | 123.5° | 121.3° |
| C5 | C6 | N22 | 124.5° | 116.1° |
| C5 | C6 | C7 | 126.3° | 133.6° |
| C5 | C35 | H351 | 109.5° | 110.7° |
| C5 | C35 | H352 | 109.5° | 109.3° |
| C5 | C35 | H353 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.3° |
| H351 | C35 | H353 | 109.4° | 108.8° |
| H352 | C35 | H353 | 109.5° | 109.3° |
| C31 | C30 | H301 | 108.9° | 108.1° |
| C31 | C30 | H302 | 108.6° | 107.5° |
| C30 | C31 | C32 | 113.5° | 114.0° |
| C30 | C31 | H311 | 108.2° | 108.6° |
| C30 | C31 | H312 | 107.2° | 109.4° |
| H301 | C30 | H302 | 110.7° | 106.4° |
| C32 | C31 | H311 | 108.1° | 108.6° |
| C32 | C31 | H312 | 107.2° | 108.4° |
| C31 | C32 | N33 | 123.5° | 118.5° |
| C31 | C32 | O34 | 109.0° | 119.7° |
| H311 | C31 | H312 | 112.7° | 107.7° |
| N33 | C32 | O34 | 127.5° | 121.9° |
| C32 | N33 | H331 | 109.5° | 119.2° |
| C32 | N33 | H332 | 125.2° | 122.0° |
| H331 | N33 | H332 | 125.3° | 118.8° |
| C27 | C26 | H261 | 106.9° | 106.6° |
| C27 | C26 | H262 | 105.0° | 106.9° |
| C26 | C27 | N29 | 118.1° | 120.2° |
| C26 | C27 | O28 | 120.3° | 118.8° |
| H261 | C26 | H262 | 116.0° | 106.2° |
| N29 | C27 | O28 | 121.6° | 120.9° |
| C27 | N29 | H291 | 108.1° | 119.9° |
| C27 | N29 | H292 | 126.0° | 120.6° |
| H291 | N29 | H292 | 125.9° | 119.5° |
| H251 | C25 | H252 | 109.4° | 109.2° |
| H251 | C25 | H253 | 109.4° | 108.4° |
| H252 | C25 | H253 | 109.5° | 108.6° |
| H201 | C20 | H202 | 109.5° | 108.6° |
| H201 | C20 | H203 | 109.5° | 107.8° |
| H202 | C20 | H203 | 109.5° | 109.0° |
| N21 | CO | N24 | 85.5° | 85.0° |
| N21 | CO | N23 | 174.4° | 168.0° |
| N21 | CO | N22 | 89.1° | 90.9° |
| C16 | N24 | CO | 135.9° | 128.2° |
| N24 | C16 | C15 | 122.4° | 110.5° |
| N24 | C16 | H16 | 133.5° | 106.9° |
| N24 | CO | N23 | 88.9° | 85.3° |
| N24 | CO | N22 | 169.6° | 170.2° |
| N23 | CO | N22 | 96.5° | 97.6° |
| CO | N23 | C14 | 127.1° | 126.7° |
| CO | N23 | C11 | 123.5° | 118.2° |
| CO | N22 | C9 | 122.7° | 116.3° |
| CO | N22 | C6 | 129.1° | 132.4° |
| C15 | C16 | H16 | 20.6° | 104.3° |
| C16 | C15 | C53 | 119.9° | 114.6° |
| C16 | C15 | C14 | 119.1° | 125.6° |
| C53 | C15 | C14 | 121.0° | 119.7° |
| C15 | C53 | H531 | 109.5° | 110.6° |
| C15 | C53 | H532 | 109.5° | 109.3° |
| C15 | C53 | H533 | 109.4° | 109.6° |
| C15 | C14 | C13 | 125.8° | 129.5° |
| C15 | C14 | N23 | 126.2° | 122.0° |
| H531 | C53 | H532 | 109.4° | 109.3° |
| H531 | C53 | H533 | 109.4° | 108.7° |
| H532 | C53 | H533 | 109.5° | 109.3° |
| C13 | C14 | N23 | 108.0° | 108.4° |
| C14 | C13 | C48 | 109.2° | 110.5° |
| C14 | C13 | C12 | 105.6° | 102.6° |
| C14 | C13 | H13 | 113.3° | 106.9° |
| C14 | N23 | C11 | 109.4° | 113.8° |
| N23 | C11 | C12 | 114.0° | 104.3° |
| N23 | C11 | C10 | 123.5° | 105.3° |
| N23 | C11 | H11 | 115.4° | 109.1° |
| C48 | C13 | C12 | 112.7° | 120.9° |
| C48 | C13 | H13 | 106.3° | 108.1° |
| C13 | C48 | C49 | 116.4° | 116.5° |
| C13 | C48 | H481 | 107.2° | 108.8° |
| C13 | C48 | H482 | 105.6° | 108.4° |
| C12 | C13 | H13 | 109.8° | 107.1° |
| C13 | C12 | C47 | 119.7° | 116.8° |
| C13 | C12 | C11 | 99.2° | 97.9° |
| C13 | C12 | C46 | 107.4° | 110.4° |
| C49 | C48 | H481 | 107.2° | 108.5° |
| C49 | C48 | H482 | 105.6° | 107.6° |
| C48 | C49 | C50 | 109.7° | 114.1° |
| C48 | C49 | H491 | 109.4° | 108.6° |
| C48 | C49 | H492 | 109.3° | 109.2° |
| H481 | C48 | H482 | 115.1° | 106.7° |
| C50 | C49 | H491 | 109.4° | 108.5° |
| C50 | C49 | H492 | 109.3° | 108.6° |
| C49 | C50 | O51 | 121.7° | 119.7° |
| C49 | C50 | N52 | 116.7° | 118.3° |
| H491 | C49 | H492 | 109.7° | 107.7° |
| O51 | C50 | N52 | 121.6° | 122.0° |
| C50 | N52 | H521 | 112.8° | 119.2° |
| C50 | N52 | H522 | 123.6° | 121.9° |
| H521 | N52 | H522 | 123.6° | 118.9° |
| C47 | C12 | C11 | 116.5° | 116.2° |
| C47 | C12 | C46 | 103.8° | 105.8° |
| C12 | C47 | H471 | 109.5° | 110.0° |
| C12 | C47 | H472 | 109.5° | 110.3° |
| C12 | C47 | H473 | 109.5° | 109.9° |
| C11 | C12 | C46 | 109.9° | 109.6° |
| C12 | C11 | C10 | 122.5° | 122.2° |
| C12 | C11 | H11 | 125.6° | 110.2° |
| C12 | C46 | H461 | 109.5° | 109.9° |
| C12 | C46 | H462 | 109.5° | 110.5° |
| C12 | C46 | H463 | 109.4° | 110.0° |
| H461 | C46 | H462 | 109.5° | 108.7° |
| H461 | C46 | H463 | 109.5° | 109.0° |
| H462 | C46 | H463 | 109.5° | 108.7° |
| H471 | C47 | H472 | 109.4° | 108.6° |
| H471 | C47 | H473 | 109.5° | 109.2° |
| H472 | C47 | H473 | 109.5° | 108.8° |
| C10 | C11 | H11 | 23.9° | 105.2° |
| C11 | C10 | C9 | 126.3° | 127.9° |
| C11 | C10 | H10 | 116.8° | 117.1° |
| C9 | C10 | H10 | 116.9° | 115.0° |
| C10 | C9 | N22 | 126.7° | 122.3° |
| C10 | C9 | C8 | 119.2° | 127.1° |
| N22 | C9 | C8 | 114.1° | 110.5° |
| C9 | N22 | C6 | 108.2° | 109.1° |
| C9 | C8 | C41 | 109.2° | 109.1° |
| C9 | C8 | C7 | 100.7° | 99.6° |
| C9 | C8 | H8 | 114.9° | 106.8° |
| N22 | C6 | C7 | 109.1° | 110.3° |
| C41 | C8 | C7 | 108.6° | 121.1° |
| C41 | C8 | H8 | 107.7° | 108.3° |
| C8 | C41 | C42 | 121.2° | 116.5° |
| C8 | C41 | H411 | 105.7° | 109.1° |
| C8 | C41 | H412 | 102.9° | 108.6° |
| C7 | C8 | H8 | 115.4° | 110.8° |
| C8 | C7 | C6 | 100.7° | 101.3° |
| C8 | C7 | C37 | 103.9° | 108.5° |
| C8 | C7 | C36 | 113.6° | 114.6° |
| C42 | C41 | H411 | 105.7° | 107.0° |
| C42 | C41 | H412 | 103.0° | 108.3° |
| C41 | C42 | C43 | 107.8° | 113.6° |
| C41 | C42 | H421 | 110.0° | 109.2° |
| C41 | C42 | H422 | 110.4° | 108.7° |
| H411 | C41 | H412 | 119.3° | 107.1° |
| C43 | C42 | H421 | 110.0° | 108.5° |
| C43 | C42 | H422 | 110.4° | 108.9° |
| C42 | C43 | O44 | 122.3° | 119.5° |
| C42 | C43 | N45 | 114.5° | 118.5° |
| H421 | C42 | H422 | 108.2° | 107.8° |
| O44 | C43 | N45 | 123.2° | 121.9° |
| C43 | N45 | H451 | 109.6° | 119.2° |
| C43 | N45 | H452 | 125.2° | 121.9° |
| H451 | N45 | H452 | 125.2° | 118.9° |
| C6 | C7 | C37 | 102.7° | 110.9° |
| C6 | C7 | C36 | 126.8° | 110.9° |
| C37 | C7 | C36 | 106.7° | 110.3° |
| C7 | C37 | C38 | 121.0° | 120.5° |
| C7 | C37 | H371 | 105.8° | 107.5° |
| C7 | C37 | H372 | 103.1° | 107.6° |
| C7 | C36 | H361 | 109.5° | 109.9° |
| C7 | C36 | H362 | 109.5° | 109.8° |
| C7 | C36 | H363 | 109.5° | 109.9° |
| H361 | C36 | H362 | 109.5° | 108.8° |
| H361 | C36 | H363 | 109.5° | 109.6° |
| H362 | C36 | H363 | 109.5° | 108.9° |
| C38 | C37 | H371 | 105.8° | 107.7° |
| C38 | C37 | H372 | 103.1° | 106.5° |
| C37 | C38 | N40 | 122.1° | 119.4° |
| C37 | C38 | O39 | 117.4° | 119.4° |
| H371 | C37 | H372 | 119.1° | 106.1° |
| N40 | C38 | O39 | 120.5° | 121.2° |
| C38 | N40 | H401 | 109.2° | 119.9° |
| C38 | N40 | H402 | 125.4° | 120.8° |
| H401 | N40 | H402 | 125.4° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | P | O2 | O3 | 115.3° | 113.7° |
| O5 | P | O2 | O4 | 135.7° | 130.2° |
| O5 | P | O3 | O4 | 127.4° | 129.8° |
| O5 | P | O4 | HO4 | 154.8° | 98.1° |
| O5 | P | O2 | C3R | 36.5° | 41.8° |
| O5 | P | O3 | C2P | 178.6° | 176.1° |
| O2 | P | O3 | O4 | 116.9° | 114.2° |
| O2 | P | O4 | HO4 | 23.9° | 135.6° |
| P | O2 | C3R | C4R | 164.9° | 145.0° |
| P | O2 | C3R | C2R | 85.9° | 99.6° |
| P | O2 | C3R | H3R | 35.8° | 22.8° |
| O2 | P | O3 | C2P | 62.9° | 67.9° |
| O3 | P | O4 | HO4 | 84.6° | 26.2° |
| O3 | P | O2 | C3R | 78.8° | 71.9° |
| P | O3 | C2P | C3P | 89.4° | 130.0° |
| P | O3 | C2P | C1P | 153.9° | 105.4° |
| P | O3 | C2P | H2P | 31.7° | 10.7° |
| O4 | P | O2 | C3R | 172.1° | 172.0° |
| O4 | P | O3 | C2P | 54.0° | 46.3° |
| O2 | C3R | C4R | C2R | 121.1° | 121.0° |
| O2 | C3R | C4R | H3R | 119.2° | 121.6° |
| O2 | C3R | C2R | H3R | 121.0° | 123.0° |
| O2 | C3R | C4R | H4R | 76.2° | 17.3° |
| O2 | C3R | C4R | C5R | 114.5° | 140.1° |
| O2 | C3R | C4R | O6R | 74.6° | 98.7° |
| O2 | C3R | C2R | C1R | 82.2° | 89.0° |
| O2 | C3R | C2R | O7R | 53.7° | 32.9° |
| O2 | C3R | C2R | H2R | 153.6° | 154.8° |
| C4R | C3R | C2R | H3R | 129.0° | 118.9° |
| C3R | C4R | H4R | C5R | 121.0° | 128.0° |
| C3R | C4R | H4R | O6R | 141.5° | 114.1° |
| C3R | C4R | C5R | O6R | 169.0° | 119.3° |
| C3R | C4R | C5R | H1 | 99.8° | 59.3° |
| C3R | C4R | C5R | O8R | 80.2° | 180.0° |
| C3R | C4R | C5R | H5R | 99.8° | 59.2° |
| C3R | C4R | O6R | C1R | 44.4° | 6.3° |
| C4R | C3R | C2R | C1R | 27.9° | 29.0° |
| C4R | C3R | C2R | O7R | 163.7° | 151.0° |
| C4R | C3R | C2R | H2R | 96.4° | 87.1° |
| C2R | C3R | C4R | H4R | 162.7° | 138.3° |
| C2R | C3R | C4R | C5R | 124.4° | 99.0° |
| C2R | C3R | C4R | O6R | 46.5° | 22.2° |
| C3R | C2R | C1R | O6R | 2.9° | 25.8° |
| C3R | C2R | C1R | N1B | 128.1° | 96.0° |
| C3R | C2R | C1R | O7R | 140.1° | 121.0° |
| C3R | C2R | C1R | H2R | 117.2° | 115.5° |
| C3R | C2R | C1R | H1R | 120.4° | 141.6° |
| C3R | C2R | O7R | H2R | 109.8° | 121.0° |
| C3R | C2R | O7R | HO7R | 49.5° | 170.2° |
| H3R | C3R | C4R | H4R | 43.0° | 104.3° |
| H3R | C3R | C4R | C5R | 4.7° | 18.4° |
| H3R | C3R | C4R | O6R | 166.2° | 139.6° |
| H3R | C3R | C2R | C1R | 156.8° | 147.9° |
| H3R | C3R | C2R | O7R | 67.3° | 90.2° |
| H3R | C3R | C2R | H2R | 32.6° | 31.8° |
| H4R | C4R | C5R | O6R | 110.0° | 117.6° |
| H4R | C4R | C5R | H1 | 18.8° | 177.7° |
| H4R | C4R | C5R | O8R | 161.2° | 56.9° |
| H4R | C4R | C5R | H5R | 18.7° | 63.8° |
| H4R | C4R | O6R | C1R | 170.0° | 122.5° |
| C4R | C5R | H1 | O8R | 179.9° | 121.9° |
| C4R | C5R | H1 | H5R | 163.5° | 119.3° |
| C4R | C5R | O8R | H5R | 180.0° | 120.9° |
| C4R | C5R | O8R | HO8R | 43.9° | 180.0° |
| C5R | C4R | O6R | C1R | 127.0° | 120.1° |
| O6R | C4R | C5R | H1 | 91.2° | 60.1° |
| O6R | C4R | C5R | O8R | 88.7° | 60.7° |
| O6R | C4R | C5R | H5R | 91.3° | 178.6° |
| C4R | O6R | C1R | N1B | 157.7° | 112.9° |
| C4R | O6R | C1R | C2R | 26.6° | 12.6° |
| C4R | O6R | C1R | H1R | 90.8° | 129.0° |
| H1 | C5R | O8R | H5R | 0.1° | 118.2° |
| H1 | C5R | O8R | HO8R | 136.2° | 59.1° |
| H5R | C5R | O8R | HO8R | 136.1° | 59.1° |
| O6R | C1R | N1B | C2R | 127.8° | 120.1° |
| O6R | C1R | N1B | H1R | 116.1° | 117.5° |
| O6R | C1R | C2R | H1R | 117.5° | 115.9° |
| O6R | C1R | N1B | C8B | 92.4° | 149.8° |
| O6R | C1R | N1B | C2B | 54.7° | 30.2° |
| O6R | C1R | C2R | O7R | 143.0° | 146.7° |
| O6R | C1R | C2R | H2R | 114.3° | 89.7° |
| N1B | C1R | C2R | H1R | 111.5° | 122.4° |
| C1R | N1B | C8B | C2B | 148.5° | 180.0° |
| C1R | N1B | C2B | N3B | 159.1° | 179.9° |
| C1R | N1B | C2B | H2B | 20.8° | 0.0° |
| C1R | N1B | C8B | C9B | 151.7° | 180.0° |
| C1R | N1B | C8B | C7B | 31.3° | 0.1° |
| N1B | C1R | C2R | O7R | 12.0° | 25.0° |
| N1B | C1R | C2R | H2R | 114.7° | 148.5° |
| C2R | C1R | N1B | C8B | 139.8° | 90.1° |
| C2R | C1R | N1B | C2B | 73.1° | 89.9° |
| C1R | C2R | O7R | H2R | 120.0° | 123.1° |
| C1R | C2R | O7R | HO7R | 80.7° | 73.9° |
| H1R | C1R | N1B | C8B | 23.7° | 32.2° |
| H1R | C1R | N1B | C2B | 170.8° | 147.7° |
| H1R | C1R | C2R | O7R | 99.5° | 97.4° |
| H1R | C1R | C2R | H2R | 3.2° | 26.1° |
| C8B | N1B | C2B | N3B | 3.4° | 0.1° |
| C8B | N1B | C2B | H2B | 176.6° | 180.0° |
| N1B | C8B | C9B | N3B | 2.1° | 0.1° |
| N1B | C8B | C9B | C7B | 177.1° | 179.9° |
| N1B | C8B | C9B | C4B | 178.5° | 180.0° |
| N1B | C8B | C7B | C6B | 177.8° | 179.9° |
| N1B | C8B | C7B | H7B | 2.2° | 0.2° |
| N1B | C2B | N3B | H2B | 180.0° | 179.9° |
| N1B | C2B | N3B | C9B | 2.0° | 0.1° |
| C2B | N1B | C8B | C9B | 3.2° | 0.0° |
| C2B | N1B | C8B | C7B | 179.8° | 179.9° |
| C2B | N3B | C9B | C8B | 0.0° | 0.1° |
| C2B | N3B | C9B | C4B | 179.4° | 180.0° |
| H2B | C2B | N3B | C9B | 177.9° | 180.0° |
| N3B | C9B | C8B | C4B | 179.5° | 179.9° |
| N3B | C9B | C4B | C5B | 179.8° | 180.0° |
| N3B | C9B | C4B | H4B | 0.2° | 0.1° |
| N3B | C9B | C8B | C7B | 179.2° | 180.0° |
| C8B | C9B | C4B | C5B | 0.4° | 0.1° |
| C8B | C9B | C4B | H4B | 179.6° | 180.0° |
| C9B | C8B | C7B | C6B | 1.3° | 0.1° |
| C9B | C8B | C7B | H7B | 178.7° | 180.0° |
| C9B | C4B | C5B | H4B | 180.0° | 179.9° |
| C9B | C4B | C5B | C6B | 0.4° | 0.1° |
| C9B | C4B | C5B | O5B | 180.0° | 180.0° |
| C4B | C9B | C8B | C7B | 1.3° | 0.1° |
| C4B | C5B | C6B | O5B | 179.6° | 180.0° |
| C4B | C5B | O5B | HO5B | 27.6° | 180.0° |
| C4B | C5B | C6B | C7B | 0.4° | 0.0° |
| C4B | C5B | C6B | H6B | 179.6° | 179.9° |
| H4B | C4B | C5B | C6B | 179.7° | 179.9° |
| H4B | C4B | C5B | O5B | 0.0° | 0.1° |
| C6B | C5B | O5B | HO5B | 152.0° | 0.0° |
| C5B | C6B | C7B | H6B | 180.0° | 179.9° |
| C5B | C6B | C7B | C8B | 0.4° | 0.0° |
| C5B | C6B | C7B | H7B | 179.6° | 179.9° |
| O5B | C5B | C6B | C7B | 180.0° | 180.0° |
| O5B | C5B | C6B | H6B | 0.0° | 0.1° |
| C6B | C7B | C8B | H7B | 180.0° | 179.9° |
| H6B | C6B | C7B | C8B | 179.6° | 179.9° |
| H6B | C6B | C7B | H7B | 0.4° | 0.0° |
| H2R | C2R | O7R | HO7R | 159.3° | 49.2° |
| O3 | C2P | C3P | C1P | 115.7° | 120.1° |
| O3 | C2P | C3P | H2P | 122.0° | 119.8° |
| O3 | C2P | C1P | H2P | 121.8° | 118.1° |
| O3 | C2P | C3P | H3P1 | 31.8° | 179.9° |
| O3 | C2P | C3P | H3P2 | 88.3° | 60.0° |
| O3 | C2P | C3P | H3P3 | 151.8° | 59.9° |
| O3 | C2P | C1P | N59 | 43.0° | 64.7° |
| O3 | C2P | C1P | H1P1 | 77.0° | 173.7° |
| O3 | C2P | C1P | H1P2 | 161.6° | 56.0° |
| C3P | C2P | C1P | H2P | 121.0° | 121.3° |
| C2P | C3P | H3P1 | H3P2 | 120.0° | 120.0° |
| C2P | C3P | H3P1 | H3P3 | 120.0° | 120.3° |
| C2P | C3P | H3P2 | H3P3 | 120.0° | 120.1° |
| C3P | C2P | C1P | N59 | 160.2° | 174.6° |
| C3P | C2P | C1P | H1P1 | 40.2° | 53.0° |
| C3P | C2P | C1P | H1P2 | 81.3° | 64.6° |
| C1P | C2P | C3P | H3P1 | 84.0° | 59.9° |
| C1P | C2P | C3P | H3P2 | 156.0° | 179.9° |
| C1P | C2P | C3P | H3P3 | 36.0° | 60.2° |
| C2P | C1P | N59 | H1P1 | 120.0° | 121.7° |
| C2P | C1P | N59 | H1P2 | 118.5° | 120.9° |
| C2P | C1P | H1P1 | H1P2 | 118.6° | 118.2° |
| C2P | C1P | N59 | C57 | 92.1° | 89.3° |
| C2P | C1P | N59 | HN59 | 87.8° | 90.8° |
| H2P | C2P | C3P | H3P1 | 153.7° | 60.1° |
| H2P | C2P | C3P | H3P2 | 33.7° | 59.8° |
| H2P | C2P | C3P | H3P3 | 86.3° | 179.7° |
| H2P | C2P | C1P | N59 | 78.8° | 53.4° |
| H2P | C2P | C1P | H1P1 | 161.2° | 68.2° |
| H2P | C2P | C1P | H1P2 | 39.7° | 174.1° |
| H3P1 | C3P | H3P2 | H3P3 | 120.0° | 119.7° |
| N59 | C1P | H1P1 | H1P2 | 118.6° | 117.7° |
| C1P | N59 | C57 | HN59 | 180.0° | 179.8° |
| C1P | N59 | C57 | O58 | 0.7° | 0.1° |
| C1P | N59 | C57 | C56 | 178.7° | 179.8° |
| H1P1 | C1P | N59 | C57 | 147.9° | 32.4° |
| H1P1 | C1P | N59 | HN59 | 32.2° | 147.4° |
| H1P2 | C1P | N59 | C57 | 26.4° | 149.8° |
| H1P2 | C1P | N59 | HN59 | 153.7° | 30.1° |
| N59 | C57 | O58 | C56 | 179.3° | 179.6° |
| N59 | C57 | C56 | C55 | 89.4° | 92.8° |
| N59 | C57 | C56 | H561 | 150.6° | 28.8° |
| N59 | C57 | C56 | H562 | 30.8° | 146.2° |
| HN59 | N59 | C57 | O58 | 179.3° | 180.0° |
| HN59 | N59 | C57 | C56 | 1.4° | 0.4° |
| O58 | C57 | C56 | C55 | 89.9° | 87.6° |
| O58 | C57 | C56 | H561 | 30.1° | 150.9° |
| O58 | C57 | C56 | H562 | 149.8° | 33.4° |
| C57 | C56 | C55 | H561 | 120.0° | 121.6° |
| C57 | C56 | C55 | H562 | 120.2° | 120.7° |
| C57 | C56 | H561 | H562 | 120.2° | 118.1° |
| C57 | C56 | C55 | C17 | 154.0° | 179.3° |
| C57 | C56 | C55 | H551 | 86.0° | 57.2° |
| C57 | C56 | C55 | H552 | 38.1° | 55.0° |
| C55 | C56 | H561 | H562 | 120.2° | 118.8° |
| C56 | C55 | C17 | H551 | 120.0° | 122.9° |
| C56 | C55 | C17 | H552 | 115.9° | 124.0° |
| C56 | C55 | H551 | H552 | 116.5° | 112.4° |
| C56 | C55 | C17 | C54 | 168.1° | 169.9° |
| C56 | C55 | C17 | C18 | 69.4° | 64.7° |
| C56 | C55 | C17 | C16 | 47.1° | 49.6° |
| H561 | C56 | C55 | C17 | 34.0° | 57.7° |
| H561 | C56 | C55 | H551 | 154.0° | 178.8° |
| H561 | C56 | C55 | H552 | 81.9° | 66.6° |
| H562 | C56 | C55 | C17 | 85.7° | 60.0° |
| H562 | C56 | C55 | H551 | 34.3° | 63.5° |
| H562 | C56 | C55 | H552 | 158.4° | 175.6° |
| C17 | C55 | H551 | H552 | 116.4° | 113.9° |
| C55 | C17 | C54 | C18 | 121.8° | 124.4° |
| C55 | C17 | C54 | C16 | 130.1° | 124.9° |
| C55 | C17 | C18 | C16 | 129.0° | 123.7° |
| C55 | C17 | C54 | H541 | 8.8° | 175.8° |
| C55 | C17 | C54 | H542 | 111.2° | 64.2° |
| C55 | C17 | C54 | H543 | 128.8° | 55.7° |
| C55 | C17 | C18 | C60 | 75.6° | 68.8° |
| C55 | C17 | C18 | C19 | 153.2° | 156.5° |
| C55 | C17 | C18 | H18 | 32.4° | 47.2° |
| C55 | C17 | C16 | N24 | 133.5° | 161.1° |
| C55 | C17 | C16 | C15 | 48.5° | 75.7° |
| C55 | C17 | C16 | H16 | 31.0° | 49.1° |
| H551 | C55 | C17 | C54 | 71.9° | 47.0° |
| H551 | C55 | C17 | C18 | 50.6° | 172.4° |
| H551 | C55 | C17 | C16 | 167.2° | 73.4° |
| H552 | C55 | C17 | C54 | 52.1° | 66.1° |
| H552 | C55 | C17 | C18 | 174.7° | 59.3° |
| H552 | C55 | C17 | C16 | 68.8° | 173.6° |
| C54 | C17 | C18 | C16 | 112.2° | 116.1° |
| C17 | C54 | H541 | H542 | 120.0° | 120.9° |
| C17 | C54 | H541 | H543 | 120.0° | 121.0° |
| C17 | C54 | H542 | H543 | 120.0° | 120.9° |
| C54 | C17 | C18 | C60 | 43.2° | 51.3° |
| C54 | C17 | C18 | C19 | 88.0° | 83.3° |
| C54 | C17 | C18 | H18 | 151.2° | 167.3° |
| C54 | C17 | C16 | N24 | 105.6° | 80.6° |
| C54 | C17 | C16 | C15 | 72.3° | 42.5° |
| C54 | C17 | C16 | H16 | 89.9° | 167.3° |
| C18 | C17 | C54 | H541 | 112.9° | 51.3° |
| C18 | C17 | C54 | H542 | 127.1° | 171.3° |
| C18 | C17 | C54 | H543 | 7.0° | 68.7° |
| C17 | C18 | C60 | C19 | 125.3° | 130.4° |
| C17 | C18 | C60 | H18 | 116.2° | 114.8° |
| C17 | C18 | C19 | H18 | 119.0° | 108.9° |
| C17 | C18 | C60 | C61 | 126.4° | 124.9° |
| C17 | C18 | C60 | H601 | 113.6° | 112.4° |
| C17 | C18 | C60 | H602 | 12.8° | 3.6° |
| C17 | C18 | C19 | N24 | 29.8° | 12.4° |
| C17 | C18 | C19 | C1 | 149.0° | 136.7° |
| C17 | C18 | C19 | H19 | 96.1° | 96.7° |
| C18 | C17 | C16 | N24 | 11.3° | 39.6° |
| C18 | C17 | C16 | C15 | 170.7° | 162.7° |
| C18 | C17 | C16 | H16 | 153.1° | 72.5° |
| C16 | C17 | C54 | H541 | 139.0° | 59.3° |
| C16 | C17 | C54 | H542 | 19.0° | 60.7° |
| C16 | C17 | C54 | H543 | 101.1° | 179.4° |
| C16 | C17 | C18 | C60 | 155.4° | 167.4° |
| C16 | C17 | C18 | C19 | 24.1° | 32.8° |
| C16 | C17 | C18 | H18 | 96.6° | 76.6° |
| C17 | C16 | N24 | C19 | 7.5° | 36.8° |
| C17 | C16 | N24 | C15 | 178.0° | 132.6° |
| C17 | C16 | N24 | H16 | 159.9° | 114.5° |
| C17 | C16 | N24 | CO | 173.3° | 170.1° |
| C17 | C16 | C15 | H16 | 53.2° | 127.3° |
| C17 | C16 | C15 | C53 | 4.8° | 64.9° |
| C17 | C16 | C15 | C14 | 173.9° | 116.1° |
| H541 | C54 | H542 | H543 | 120.0° | 118.1° |
| C60 | C18 | C19 | H18 | 108.5° | 115.8° |
| C18 | C60 | C61 | H601 | 120.0° | 123.1° |
| C18 | C60 | C61 | H602 | 113.6° | 122.2° |
| C18 | C60 | H601 | H602 | 114.8° | 117.5° |
| C18 | C60 | C61 | N62 | 26.8° | 67.7° |
| C18 | C60 | C61 | O63 | 152.4° | 115.1° |
| C60 | C18 | C19 | N24 | 162.3° | 147.7° |
| C60 | C18 | C19 | C1 | 78.5° | 88.0° |
| C60 | C18 | C19 | H19 | 36.4° | 38.6° |
| C19 | C18 | C60 | C61 | 108.3° | 104.7° |
| C19 | C18 | C60 | H601 | 11.7° | 18.0° |
| C19 | C18 | C60 | H602 | 138.1° | 134.0° |
| C18 | C19 | N24 | C1 | 128.4° | 134.6° |
| C18 | C19 | N24 | H19 | 116.1° | 110.9° |
| C18 | C19 | C1 | H19 | 115.5° | 126.7° |
| C18 | C19 | C1 | C20 | 53.5° | 58.7° |
| C18 | C19 | C1 | C2 | 84.0° | 85.5° |
| C18 | C19 | C1 | N21 | 163.9° | 162.2° |
| C18 | C19 | N24 | C16 | 23.7° | 16.1° |
| C18 | C19 | N24 | CO | 167.0° | 173.6° |
| H18 | C18 | C60 | C61 | 10.2° | 10.2° |
| H18 | C18 | C60 | H601 | 130.2° | 132.9° |
| H18 | C18 | C60 | H602 | 103.4° | 111.1° |
| H18 | C18 | C19 | N24 | 89.2° | 96.5° |
| H18 | C18 | C19 | C1 | 30.0° | 27.8° |
| H18 | C18 | C19 | H19 | 144.9° | 154.4° |
| C61 | C60 | H601 | H602 | 114.7° | 115.1° |
| C60 | C61 | N62 | O63 | 179.2° | 177.1° |
| C60 | C61 | N62 | H621 | 179.2° | 177.8° |
| C60 | C61 | N62 | H622 | 0.8° | 4.0° |
| H601 | C60 | C61 | N62 | 146.8° | 169.2° |
| H601 | C60 | C61 | O63 | 32.4° | 8.0° |
| H602 | C60 | C61 | N62 | 86.8° | 54.5° |
| H602 | C60 | C61 | O63 | 94.0° | 122.7° |
| C61 | N62 | H621 | H622 | 180.0° | 178.2° |
| O63 | C61 | N62 | H621 | 0.0° | 5.1° |
| O63 | C61 | N62 | H622 | 180.0° | 173.1° |
| N24 | C19 | C1 | H19 | 125.8° | 112.9° |
| N24 | C19 | C1 | C20 | 65.2° | 61.7° |
| N24 | C19 | C1 | C2 | 157.3° | 154.2° |
| N24 | C19 | C1 | N21 | 45.2° | 41.8° |
| C19 | N24 | CO | N21 | 14.3° | 17.8° |
| C19 | N24 | C16 | CO | 165.7° | 153.1° |
| C19 | N24 | CO | N23 | 165.8° | 155.2° |
| C19 | N24 | CO | N22 | 44.6° | 47.7° |
| C19 | N24 | C16 | C15 | 170.5° | 169.4° |
| C19 | N24 | C16 | H16 | 167.4° | 77.7° |
| C19 | C1 | C20 | C2 | 139.5° | 145.4° |
| C19 | C1 | C20 | N21 | 107.9° | 107.4° |
| C19 | C1 | C2 | N21 | 111.3° | 113.4° |
| C19 | C1 | C2 | C25 | 95.5° | 106.9° |
| C19 | C1 | C2 | C26 | 26.9° | 13.0° |
| C19 | C1 | C2 | C3 | 139.3° | 133.0° |
| C19 | C1 | N21 | C4 | 142.7° | 114.1° |
| C19 | C1 | C20 | H201 | 146.0° | 175.0° |
| C19 | C1 | C20 | H202 | 26.0° | 65.1° |
| C19 | C1 | C20 | H203 | 94.0° | 55.6° |
| C19 | C1 | N21 | CO | 37.2° | 28.3° |
| C1 | C19 | N24 | C16 | 152.1° | 118.5° |
| C1 | C19 | N24 | CO | 38.6° | 39.0° |
| H19 | C19 | C1 | C20 | 169.0° | 174.7° |
| H19 | C19 | C1 | C2 | 31.5° | 41.2° |
| H19 | C19 | C1 | N21 | 80.7° | 71.2° |
| H19 | C19 | N24 | C16 | 92.4° | 127.1° |
| H19 | C19 | N24 | CO | 76.9° | 75.4° |
| C20 | C1 | C2 | N21 | 113.8° | 105.1° |
| C20 | C1 | C2 | C25 | 39.5° | 34.6° |
| C20 | C1 | C2 | C26 | 161.9° | 154.5° |
| C20 | C1 | C2 | C3 | 85.7° | 85.4° |
| C20 | C1 | N21 | C4 | 103.4° | 132.7° |
| C1 | C20 | H201 | H202 | 120.0° | 120.9° |
| C1 | C20 | H201 | H203 | 120.0° | 121.1° |
| C1 | C20 | H202 | H203 | 120.0° | 121.7° |
| C20 | C1 | N21 | CO | 76.8° | 84.9° |
| C1 | C2 | C25 | C26 | 121.7° | 126.3° |
| C1 | C2 | C25 | C3 | 117.2° | 112.4° |
| C1 | C2 | C26 | C3 | 108.8° | 114.2° |
| C1 | C2 | C3 | C30 | 99.4° | 88.9° |
| C1 | C2 | C3 | C4 | 27.9° | 41.7° |
| C1 | C2 | C3 | H3 | 149.8° | 152.2° |
| C2 | C1 | N21 | C4 | 18.1° | 12.1° |
| C1 | C2 | C26 | C27 | 176.4° | 166.9° |
| C1 | C2 | C26 | H261 | 56.4° | 44.4° |
| C1 | C2 | C26 | H262 | 67.4° | 70.5° |
| C1 | C2 | C25 | H251 | 163.5° | 175.1° |
| C1 | C2 | C25 | H252 | 43.5° | 64.8° |
| C1 | C2 | C25 | H253 | 76.6° | 55.2° |
| C2 | C1 | C20 | H201 | 74.6° | 39.6° |
| C2 | C1 | C20 | H202 | 165.4° | 80.3° |
| C2 | C1 | C20 | H203 | 45.4° | 159.0° |
| C2 | C1 | N21 | CO | 161.8° | 154.5° |
| N21 | C1 | C2 | C25 | 153.2° | 139.7° |
| N21 | C1 | C2 | C26 | 84.3° | 100.4° |
| N21 | C1 | C2 | C3 | 28.0° | 19.6° |
| C1 | N21 | C4 | C3 | 0.5° | 38.0° |
| C1 | N21 | C4 | CO | 179.8° | 140.5° |
| C1 | N21 | C4 | C5 | 177.8° | 171.7° |
| C1 | N21 | C4 | H4 | 165.3° | 75.8° |
| N21 | C1 | C20 | H201 | 38.0° | 67.6° |
| N21 | C1 | C20 | H202 | 81.9° | 172.5° |
| N21 | C1 | C20 | H203 | 158.1° | 51.8° |
| C1 | N21 | CO | N24 | 14.6° | 7.3° |
| C1 | N21 | CO | N23 | 13.5° | 43.0° |
| C1 | N21 | CO | N22 | 174.3° | 178.4° |
| C25 | C2 | C26 | C3 | 126.4° | 122.5° |
| C25 | C2 | C3 | C30 | 24.4° | 29.9° |
| C25 | C2 | C3 | C4 | 151.6° | 160.5° |
| C25 | C2 | C3 | H3 | 86.4° | 89.0° |
| C25 | C2 | C26 | C27 | 51.6° | 69.9° |
| C25 | C2 | C26 | H261 | 68.3° | 167.7° |
| C25 | C2 | C26 | H262 | 167.9° | 52.8° |
| C2 | C25 | H251 | H252 | 120.0° | 120.4° |
| C2 | C25 | H251 | H253 | 120.0° | 121.5° |
| C2 | C25 | H252 | H253 | 120.0° | 121.4° |
| C26 | C2 | C3 | C30 | 147.1° | 147.6° |
| C26 | C2 | C3 | C4 | 85.7° | 81.8° |
| C26 | C2 | C3 | H3 | 36.3° | 28.7° |
| C2 | C26 | C27 | H261 | 120.0° | 123.4° |
| C2 | C26 | C27 | H262 | 116.2° | 123.3° |
| C2 | C26 | H261 | H262 | 116.7° | 116.2° |
| C2 | C26 | C27 | N29 | 122.5° | 90.1° |
| C2 | C26 | C27 | O28 | 58.0° | 93.1° |
| C26 | C2 | C25 | H251 | 74.9° | 58.6° |
| C26 | C2 | C25 | H252 | 165.1° | 61.5° |
| C26 | C2 | C25 | H253 | 45.1° | 178.6° |
| C2 | C3 | C30 | C4 | 120.6° | 125.2° |
| C2 | C3 | C30 | H3 | 118.8° | 119.3° |
| C2 | C3 | C4 | H3 | 120.3° | 109.4° |
| C2 | C3 | C4 | N21 | 19.2° | 48.1° |
| C2 | C3 | C4 | C5 | 159.1° | 177.3° |
| C2 | C3 | C4 | H4 | 174.9° | 63.3° |
| C2 | C3 | C30 | C31 | 105.7° | 103.2° |
| C2 | C3 | C30 | H301 | 134.3° | 19.3° |
| C2 | C3 | C30 | H302 | 13.7° | 135.0° |
| C3 | C2 | C26 | C27 | 74.8° | 52.6° |
| C3 | C2 | C26 | H261 | 165.2° | 69.8° |
| C3 | C2 | C26 | H262 | 41.5° | 175.3° |
| C3 | C2 | C25 | H251 | 46.2° | 62.7° |
| C3 | C2 | C25 | H252 | 73.8° | 177.2° |
| C3 | C2 | C25 | H253 | 166.2° | 57.3° |
| C30 | C3 | C4 | H3 | 111.0° | 114.0° |
| C30 | C3 | C4 | N21 | 109.4° | 88.5° |
| C30 | C3 | C4 | C5 | 72.2° | 40.7° |
| C30 | C3 | C4 | H4 | 56.5° | 160.2° |
| C3 | C30 | C31 | H301 | 120.0° | 122.9° |
| C3 | C30 | C31 | H302 | 119.3° | 122.7° |
| C3 | C30 | H301 | H302 | 119.4° | 117.5° |
| C3 | C30 | C31 | C32 | 167.3° | 152.8° |
| C3 | C30 | C31 | H311 | 47.3° | 86.0° |
| C3 | C30 | C31 | H312 | 74.4° | 31.2° |
| C3 | C4 | N21 | C5 | 178.3° | 133.7° |
| C3 | C4 | N21 | H4 | 164.8° | 113.7° |
| C3 | C4 | C5 | H4 | 76.1° | 123.4° |
| C3 | C4 | C5 | C6 | 172.7° | 135.4° |
| C3 | C4 | C5 | C35 | 9.5° | 47.3° |
| C4 | C3 | C30 | C31 | 133.7° | 131.6° |
| C4 | C3 | C30 | H301 | 13.7° | 106.0° |
| C4 | C3 | C30 | H302 | 106.9° | 9.8° |
| C3 | C4 | N21 | CO | 179.6° | 178.4° |
| H3 | C3 | C4 | N21 | 139.5° | 157.5° |
| H3 | C3 | C4 | C5 | 38.8° | 73.3° |
| H3 | C3 | C4 | H4 | 54.6° | 46.1° |
| H3 | C3 | C30 | C31 | 13.1° | 16.2° |
| H3 | C3 | C30 | H301 | 106.9° | 138.6° |
| H3 | C3 | C30 | H302 | 132.4° | 105.6° |
| N21 | C4 | C5 | H4 | 105.7° | 115.8° |
| N21 | C4 | C5 | C6 | 9.2° | 14.7° |
| N21 | C4 | C5 | C35 | 168.7° | 168.0° |
| C4 | N21 | CO | N24 | 165.2° | 133.2° |
| C4 | N21 | CO | N23 | 166.3° | 97.6° |
| C4 | N21 | CO | N22 | 5.8° | 37.9° |
| C4 | C5 | C6 | C35 | 177.7° | 177.1° |
| C4 | C5 | C35 | H351 | 175.1° | 16.5° |
| C4 | C5 | C35 | H352 | 64.9° | 104.0° |
| C4 | C5 | C35 | H353 | 55.1° | 136.4° |
| C5 | C4 | N21 | CO | 2.0° | 47.8° |
| C4 | C5 | C6 | N22 | 5.4° | 22.8° |
| C4 | C5 | C6 | C7 | 176.4° | 156.4° |
| H4 | C4 | C5 | C6 | 96.5° | 101.1° |
| H4 | C4 | C5 | C35 | 85.6° | 76.2° |
| H4 | C4 | N21 | CO | 14.8° | 64.7° |
| C6 | C5 | C35 | H351 | 2.7° | 160.9° |
| C6 | C5 | C35 | H352 | 117.3° | 78.6° |
| C6 | C5 | C35 | H353 | 122.7° | 41.0° |
| C5 | C6 | N22 | CO | 5.4° | 26.8° |
| C5 | C6 | N22 | C9 | 176.0° | 170.8° |
| C5 | C6 | N22 | C7 | 178.5° | 179.4° |
| C5 | C6 | C7 | C8 | 161.6° | 169.4° |
| C5 | C6 | C7 | C37 | 91.4° | 75.6° |
| C5 | C6 | C7 | C36 | 31.1° | 47.3° |
| C5 | C35 | H351 | H352 | 120.0° | 120.5° |
| C5 | C35 | H351 | H353 | 120.0° | 120.2° |
| C5 | C35 | H352 | H353 | 120.0° | 119.7° |
| C35 | C5 | C6 | N22 | 172.3° | 154.3° |
| C35 | C5 | C6 | C7 | 5.9° | 26.4° |
| H351 | C35 | H352 | H353 | 120.0° | 118.9° |
| C31 | C30 | H301 | H302 | 119.4° | 115.1° |
| C30 | C31 | C32 | H311 | 120.0° | 121.1° |
| C30 | C31 | C32 | H312 | 118.2° | 122.1° |
| C30 | C31 | H311 | H312 | 118.3° | 118.4° |
| C30 | C31 | C32 | N33 | 54.7° | 93.7° |
| C30 | C31 | C32 | O34 | 125.8° | 86.4° |
| H301 | C30 | C31 | C32 | 72.7° | 29.9° |
| H301 | C30 | C31 | H311 | 167.3° | 151.1° |
| H301 | C30 | C31 | H312 | 45.5° | 91.7° |
| H302 | C30 | C31 | C32 | 48.0° | 84.5° |
| H302 | C30 | C31 | H311 | 72.0° | 36.7° |
| H302 | C30 | C31 | H312 | 166.2° | 153.9° |
| C32 | C31 | H311 | H312 | 118.3° | 117.2° |
| C31 | C32 | N33 | O34 | 179.5° | 179.9° |
| C31 | C32 | N33 | H331 | 0.0° | 179.6° |
| C31 | C32 | N33 | H332 | 180.0° | 0.6° |
| H311 | C31 | C32 | N33 | 65.4° | 145.1° |
| H311 | C31 | C32 | O34 | 114.2° | 34.8° |
| H312 | C31 | C32 | N33 | 172.9° | 28.4° |
| H312 | C31 | C32 | O34 | 7.5° | 151.5° |
| C32 | N33 | H331 | H332 | 180.0° | 179.8° |
| O34 | C32 | N33 | H331 | 179.5° | 0.3° |
| O34 | C32 | N33 | H332 | 0.6° | 179.5° |
| C27 | C26 | H261 | H262 | 116.7° | 113.8° |
| C26 | C27 | N29 | O28 | 179.4° | 176.7° |
| C26 | C27 | N29 | H291 | 0.0° | 178.8° |
| C26 | C27 | N29 | H292 | 180.0° | 2.1° |
| H261 | C26 | C27 | N29 | 2.6° | 146.5° |
| H261 | C26 | C27 | O28 | 178.0° | 30.3° |
| H262 | C26 | C27 | N29 | 121.2° | 33.2° |
| H262 | C26 | C27 | O28 | 58.2° | 143.6° |
| C27 | N29 | H291 | H292 | 180.0° | 179.2° |
| O28 | C27 | N29 | H291 | 179.4° | 4.5° |
| O28 | C27 | N29 | H292 | 0.6° | 174.7° |
| H251 | C25 | H252 | H253 | 119.9° | 118.0° |
| H201 | C20 | H202 | H203 | 120.0° | 117.2° |
| N21 | CO | N24 | C16 | 179.8° | 136.0° |
| N21 | CO | N24 | N23 | 179.9° | 173.0° |
| N21 | CO | N24 | N22 | 58.9° | 65.6° |
| N21 | CO | N23 | N22 | 172.1° | 134.9° |
| N21 | CO | N23 | C14 | 4.3° | 77.5° |
| N21 | CO | N23 | C11 | 173.5° | 116.3° |
| N21 | CO | N22 | C9 | 172.3° | 160.3° |
| N21 | CO | N22 | C6 | 9.3° | 1.1° |
| C16 | N24 | CO | N23 | 0.3° | 50.9° |
| C16 | N24 | CO | N22 | 120.9° | 158.4° |
| N24 | C16 | C15 | H16 | 129.0° | 114.5° |
| N24 | C16 | C15 | C53 | 177.4° | 177.0° |
| N24 | C16 | C15 | C14 | 3.8° | 2.1° |
| N24 | CO | N23 | N22 | 171.0° | 170.6° |
| CO | N24 | C16 | C15 | 4.8° | 37.5° |
| CO | N24 | C16 | H16 | 26.9° | 75.4° |
| N24 | CO | N23 | C14 | 5.4° | 41.9° |
| N24 | CO | N23 | C11 | 172.5° | 151.9° |
| N24 | CO | N22 | C9 | 129.1° | 134.6° |
| N24 | CO | N22 | C6 | 49.3° | 64.0° |
| CO | N23 | C14 | C15 | 7.4° | 21.7° |
| CO | N23 | C14 | C13 | 173.2° | 156.1° |
| CO | N23 | C14 | C11 | 178.1° | 166.7° |
| CO | N23 | C11 | C12 | 173.9° | 178.8° |
| CO | N23 | C11 | C10 | 3.7° | 51.5° |
| CO | N23 | C11 | H11 | 29.6° | 61.1° |
| N23 | CO | N22 | C9 | 8.4° | 28.1° |
| N23 | CO | N22 | C6 | 169.9° | 170.5° |
| N22 | CO | N23 | C14 | 176.5° | 147.6° |
| N22 | CO | N23 | C11 | 1.4° | 18.7° |
| CO | N22 | C9 | C10 | 11.7° | 38.5° |
| CO | N22 | C9 | C6 | 178.7° | 165.6° |
| CO | N22 | C9 | C8 | 168.6° | 138.6° |
| CO | N22 | C6 | C7 | 173.1° | 152.6° |
| C16 | C15 | C53 | C14 | 178.7° | 179.1° |
| C16 | C15 | C53 | H531 | 11.2° | 5.8° |
| C16 | C15 | C53 | H532 | 131.2° | 114.6° |
| C16 | C15 | C53 | H533 | 108.7° | 125.7° |
| C16 | C15 | C14 | C13 | 178.6° | 174.3° |
| C16 | C15 | C14 | N23 | 2.1° | 8.5° |
| H16 | C16 | C15 | C53 | 48.4° | 62.4° |
| H16 | C16 | C15 | C14 | 132.8° | 116.6° |
| C15 | C53 | H531 | H532 | 120.0° | 120.4° |
| C15 | C53 | H531 | H533 | 120.0° | 120.4° |
| C15 | C53 | H532 | H533 | 120.0° | 119.9° |
| C53 | C15 | C14 | C13 | 2.7° | 6.7° |
| C53 | C15 | C14 | N23 | 176.6° | 170.5° |
| C14 | C15 | C53 | H531 | 170.1° | 173.3° |
| C14 | C15 | C53 | H532 | 50.1° | 66.3° |
| C14 | C15 | C53 | H533 | 70.0° | 53.4° |
| C15 | C14 | C13 | N23 | 179.4° | 177.5° |
| C15 | C14 | N23 | C11 | 170.8° | 171.6° |
| C15 | C14 | C13 | C48 | 77.1° | 77.3° |
| C15 | C14 | C13 | C12 | 161.4° | 152.6° |
| C15 | C14 | C13 | H13 | 41.2° | 40.1° |
| H531 | C53 | H532 | H533 | 120.0° | 118.9° |
| C13 | C14 | N23 | C11 | 8.6° | 10.7° |
| C14 | C13 | C48 | C12 | 117.1° | 119.7° |
| C14 | C13 | C48 | H13 | 122.6° | 116.6° |
| C14 | C13 | C12 | H13 | 122.5° | 112.3° |
| C14 | C13 | C48 | C49 | 120.1° | 136.4° |
| C14 | C13 | C48 | H481 | 120.0° | 100.7° |
| C14 | C13 | C48 | H482 | 3.3° | 15.0° |
| C14 | C13 | C12 | C47 | 146.2° | 159.2° |
| C14 | C13 | C12 | C11 | 18.4° | 34.5° |
| C14 | C13 | C12 | C46 | 96.0° | 79.9° |
| N23 | C14 | C13 | C48 | 103.5° | 100.3° |
| N23 | C14 | C13 | C12 | 18.0° | 29.9° |
| N23 | C14 | C13 | H13 | 138.2° | 142.3° |
| C14 | N23 | C11 | C12 | 4.3° | 13.3° |
| C14 | N23 | C11 | C10 | 178.1° | 116.5° |
| C14 | N23 | C11 | H11 | 152.2° | 131.0° |
| N23 | C11 | C12 | C13 | 14.9° | 29.1° |
| N23 | C11 | C12 | C47 | 144.8° | 154.3° |
| N23 | C11 | C12 | C10 | 177.6° | 118.8° |
| N23 | C11 | C12 | H11 | 153.7° | 117.0° |
| N23 | C11 | C12 | C46 | 97.5° | 85.9° |
| N23 | C11 | C10 | H11 | 77.2° | 115.3° |
| N23 | C11 | C10 | C9 | 3.0° | 53.2° |
| N23 | C11 | C10 | H10 | 177.0° | 126.0° |
| C48 | C13 | C12 | H13 | 118.3° | 124.2° |
| C13 | C48 | C49 | H481 | 120.0° | 123.2° |
| C13 | C48 | C49 | H482 | 116.8° | 121.8° |
| C13 | C48 | H481 | H482 | 117.2° | 116.7° |
| C13 | C48 | C49 | C50 | 172.0° | 154.4° |
| C13 | C48 | C49 | H491 | 68.0° | 84.4° |
| C13 | C48 | C49 | H492 | 52.1° | 32.8° |
| C48 | C13 | C12 | C47 | 27.1° | 35.7° |
| C48 | C13 | C12 | C11 | 100.8° | 89.1° |
| C48 | C13 | C12 | C46 | 144.8° | 156.6° |
| C12 | C13 | C48 | C49 | 122.9° | 104.0° |
| C12 | C13 | C48 | H481 | 2.9° | 19.0° |
| C12 | C13 | C48 | H482 | 120.3° | 134.6° |
| C13 | C12 | C47 | C11 | 119.4° | 114.8° |
| C13 | C12 | C47 | C46 | 119.6° | 123.3° |
| C13 | C12 | C11 | C46 | 112.4° | 115.1° |
| C13 | C12 | C46 | H461 | 9.6° | 65.6° |
| C13 | C12 | C46 | H462 | 129.5° | 54.4° |
| C13 | C12 | C46 | H463 | 110.5° | 174.4° |
| C13 | C12 | C47 | H471 | 13.7° | 178.9° |
| C13 | C12 | C47 | H472 | 106.3° | 59.1° |
| C13 | C12 | C47 | H473 | 133.7° | 60.8° |
| C13 | C12 | C11 | C10 | 167.5° | 89.7° |
| C13 | C12 | C11 | H11 | 138.8° | 146.1° |
| H13 | C13 | C48 | C49 | 2.5° | 19.7° |
| H13 | C13 | C48 | H481 | 117.4° | 142.7° |
| H13 | C13 | C48 | H482 | 119.3° | 101.7° |
| H13 | C13 | C12 | C47 | 91.2° | 88.5° |
| H13 | C13 | C12 | C11 | 140.9° | 146.8° |
| H13 | C13 | C12 | C46 | 26.5° | 32.4° |
| C49 | C48 | H481 | H482 | 117.2° | 115.6° |
| C48 | C49 | C50 | H491 | 120.0° | 121.2° |
| C48 | C49 | C50 | H492 | 119.9° | 122.0° |
| C48 | C49 | H491 | H492 | 119.9° | 118.1° |
| C48 | C49 | C50 | O51 | 74.4° | 89.9° |
| C48 | C49 | C50 | N52 | 107.1° | 90.1° |
| H481 | C48 | C49 | C50 | 52.0° | 31.2° |
| H481 | C48 | C49 | H491 | 172.0° | 152.4° |
| H481 | C48 | C49 | H492 | 67.9° | 90.4° |
| H482 | C48 | C49 | C50 | 71.2° | 83.7° |
| H482 | C48 | C49 | H491 | 48.8° | 37.4° |
| H482 | C48 | C49 | H492 | 168.9° | 154.6° |
| C50 | C49 | H491 | H492 | 119.9° | 117.4° |
| C49 | C50 | O51 | N52 | 178.4° | 180.0° |
| C49 | C50 | N52 | H521 | 1.5° | 179.8° |
| C49 | C50 | N52 | H522 | 178.5° | 0.3° |
| H491 | C49 | C50 | O51 | 45.6° | 31.3° |
| H491 | C49 | C50 | N52 | 132.9° | 148.7° |
| H492 | C49 | C50 | O51 | 165.7° | 148.1° |
| H492 | C49 | C50 | N52 | 12.8° | 31.9° |
| O51 | C50 | N52 | H521 | 180.0° | 0.2° |
| O51 | C50 | N52 | H522 | 0.0° | 179.8° |
| C50 | N52 | H521 | H522 | 180.0° | 179.9° |
| C47 | C12 | C11 | C46 | 117.6° | 119.8° |
| C47 | C12 | C46 | H461 | 118.1° | 61.7° |
| C47 | C12 | C46 | H462 | 1.8° | 178.3° |
| C47 | C12 | C46 | H463 | 121.8° | 58.3° |
| C12 | C47 | H471 | H472 | 120.0° | 120.8° |
| C12 | C47 | H471 | H473 | 120.0° | 120.7° |
| C12 | C47 | H472 | H473 | 120.0° | 120.6° |
| C47 | C12 | C11 | C10 | 37.5° | 35.5° |
| C47 | C12 | C11 | H11 | 8.9° | 88.7° |
| C11 | C12 | C46 | H461 | 116.5° | 172.3° |
| C11 | C12 | C46 | H462 | 123.5° | 52.3° |
| C11 | C12 | C46 | H463 | 3.5° | 67.7° |
| C11 | C12 | C47 | H471 | 133.1° | 64.1° |
| C11 | C12 | C47 | H472 | 13.1° | 55.7° |
| C11 | C12 | C47 | H473 | 106.9° | 175.6° |
| C12 | C11 | C10 | H11 | 105.4° | 126.4° |
| C12 | C11 | C10 | C9 | 174.4° | 171.5° |
| C12 | C11 | C10 | H10 | 5.6° | 7.7° |
| C12 | C46 | H461 | H462 | 120.0° | 121.0° |
| C12 | C46 | H461 | H463 | 120.0° | 120.6° |
| C12 | C46 | H462 | H463 | 120.0° | 120.8° |
| C46 | C12 | C47 | H471 | 105.9° | 57.7° |
| C46 | C12 | C47 | H472 | 134.1° | 177.5° |
| C46 | C12 | C47 | H473 | 14.1° | 62.6° |
| C46 | C12 | C11 | C10 | 80.1° | 155.3° |
| C46 | C12 | C11 | H11 | 108.8° | 31.1° |
| H461 | C46 | H462 | H463 | 120.0° | 118.6° |
| H471 | C47 | H472 | H473 | 120.0° | 118.8° |
| C11 | C10 | C9 | H10 | 180.0° | 179.2° |
| C11 | C10 | C9 | N22 | 5.5° | 4.0° |
| C11 | C10 | C9 | C8 | 174.8° | 179.4° |
| H11 | C11 | C10 | C9 | 80.2° | 62.1° |
| H11 | C11 | C10 | H10 | 99.9° | 118.7° |
| C10 | C9 | N22 | C8 | 179.7° | 177.1° |
| C10 | C9 | N22 | C6 | 167.0° | 155.9° |
| C10 | C9 | C8 | C41 | 91.0° | 80.6° |
| C10 | C9 | C8 | C7 | 154.7° | 151.7° |
| C10 | C9 | C8 | H8 | 30.1° | 36.3° |
| H10 | C10 | C9 | N22 | 174.5° | 175.2° |
| H10 | C10 | C9 | C8 | 5.2° | 1.4° |
| N22 | C9 | C8 | C41 | 89.2° | 96.4° |
| N22 | C9 | C8 | C7 | 25.0° | 31.4° |
| N22 | C9 | C8 | H8 | 149.7° | 146.7° |
| C9 | N22 | C6 | C7 | 5.5° | 9.8° |
| C8 | C9 | N22 | C6 | 12.8° | 27.0° |
| C9 | C8 | C41 | C7 | 109.0° | 114.5° |
| C9 | C8 | C41 | H8 | 125.4° | 115.9° |
| C9 | C8 | C7 | H8 | 124.3° | 112.2° |
| C9 | C8 | C41 | C42 | 95.1° | 85.0° |
| C9 | C8 | C41 | H411 | 144.9° | 153.8° |
| C9 | C8 | C41 | H412 | 19.0° | 37.4° |
| C9 | C8 | C7 | C6 | 24.5° | 22.7° |
| C9 | C8 | C7 | C37 | 81.6° | 94.1° |
| C9 | C8 | C7 | C36 | 162.9° | 142.2° |
| N22 | C6 | C7 | C8 | 19.9° | 9.9° |
| N22 | C6 | C7 | C37 | 87.1° | 105.1° |
| N22 | C6 | C7 | C36 | 150.5° | 132.0° |
| C41 | C8 | C7 | H8 | 121.0° | 128.5° |
| C8 | C41 | C42 | H411 | 120.0° | 122.3° |
| C8 | C41 | C42 | H412 | 114.1° | 122.6° |
| C8 | C41 | H411 | H412 | 115.1° | 117.3° |
| C8 | C41 | C42 | C43 | 165.8° | 166.5° |
| C8 | C41 | C42 | H421 | 45.8° | 45.2° |
| C8 | C41 | C42 | H422 | 73.6° | 72.1° |
| C41 | C8 | C7 | C6 | 90.2° | 96.6° |
| C41 | C8 | C7 | C37 | 163.7° | 146.6° |
| C41 | C8 | C7 | C36 | 48.2° | 22.8° |
| C7 | C8 | C41 | C42 | 155.8° | 160.5° |
| C7 | C8 | C41 | H411 | 35.9° | 39.3° |
| C7 | C8 | C41 | H412 | 90.0° | 77.1° |
| C8 | C7 | C6 | C37 | 107.0° | 115.0° |
| C8 | C7 | C6 | C36 | 130.5° | 122.1° |
| C8 | C7 | C37 | C36 | 120.3° | 126.3° |
| C8 | C7 | C36 | H361 | 115.1° | 53.5° |
| C8 | C7 | C36 | H362 | 4.9° | 173.1° |
| C8 | C7 | C36 | H363 | 124.9° | 67.2° |
| C8 | C7 | C37 | C38 | 88.6° | 61.4° |
| C8 | C7 | C37 | H371 | 151.4° | 62.4° |
| C8 | C7 | C37 | H372 | 25.7° | 176.4° |
| H8 | C8 | C41 | C42 | 30.2° | 30.9° |
| H8 | C8 | C41 | H411 | 89.8° | 90.3° |
| H8 | C8 | C41 | H412 | 144.4° | 153.3° |
| H8 | C8 | C7 | C6 | 148.8° | 134.9° |
| H8 | C8 | C7 | C37 | 42.7° | 18.1° |
| H8 | C8 | C7 | C36 | 72.8° | 105.6° |
| C42 | C41 | H411 | H412 | 115.2° | 115.9° |
| C41 | C42 | C43 | H421 | 120.0° | 121.6° |
| C41 | C42 | C43 | H422 | 120.6° | 121.3° |
| C41 | C42 | H421 | H422 | 120.7° | 118.0° |
| C41 | C42 | C43 | O44 | 59.5° | 88.6° |
| C41 | C42 | C43 | N45 | 121.4° | 91.4° |
| H411 | C41 | C42 | C43 | 74.3° | 71.2° |
| H411 | C41 | C42 | H421 | 165.7° | 167.5° |
| H411 | C41 | C42 | H422 | 46.4° | 50.2° |
| H412 | C41 | C42 | C43 | 51.6° | 43.9° |
| H412 | C41 | C42 | H421 | 68.4° | 77.3° |
| H412 | C41 | C42 | H422 | 172.3° | 165.3° |
| C43 | C42 | H421 | H422 | 120.7° | 117.7° |
| C42 | C43 | O44 | N45 | 178.9° | 180.0° |
| C42 | C43 | N45 | H451 | 179.6° | 179.8° |
| C42 | C43 | N45 | H452 | 0.4° | 0.3° |
| H421 | C42 | C43 | O44 | 60.5° | 33.0° |
| H421 | C42 | C43 | N45 | 118.6° | 147.0° |
| H422 | C42 | C43 | O44 | 179.8° | 150.0° |
| H422 | C42 | C43 | N45 | 0.8° | 30.0° |
| O44 | C43 | N45 | H451 | 0.6° | 0.2° |
| O44 | C43 | N45 | H452 | 179.4° | 179.7° |
| C43 | N45 | H451 | H452 | 180.0° | 179.9° |
| C6 | C7 | C37 | C36 | 135.2° | 123.2° |
| C6 | C7 | C36 | H361 | 119.4° | 167.4° |
| C6 | C7 | C36 | H362 | 120.5° | 72.9° |
| C6 | C7 | C36 | H363 | 0.5° | 46.8° |
| C6 | C7 | C37 | C38 | 166.8° | 171.8° |
| C6 | C7 | C37 | H371 | 46.8° | 48.0° |
| C6 | C7 | C37 | H372 | 78.9° | 65.9° |
| C37 | C7 | C36 | H361 | 1.3° | 69.3° |
| C37 | C7 | C36 | H362 | 118.7° | 50.3° |
| C37 | C7 | C36 | H363 | 121.3° | 170.0° |
| C7 | C37 | C38 | H371 | 120.0° | 123.7° |
| C7 | C37 | C38 | H372 | 114.3° | 122.8° |
| C7 | C37 | H371 | H372 | 115.2° | 114.9° |
| C7 | C37 | C38 | N40 | 57.6° | 100.4° |
| C7 | C37 | C38 | O39 | 121.8° | 81.1° |
| C7 | C36 | H361 | H362 | 120.0° | 120.3° |
| C7 | C36 | H361 | H363 | 120.0° | 120.8° |
| C7 | C36 | H362 | H363 | 120.0° | 120.3° |
| C36 | C7 | C37 | C38 | 31.6° | 64.9° |
| C36 | C7 | C37 | H371 | 88.4° | 171.3° |
| C36 | C7 | C37 | H372 | 145.9° | 57.3° |
| H361 | C36 | H362 | H363 | 120.0° | 119.4° |
| C38 | C37 | H371 | H372 | 115.3° | 113.8° |
| C37 | C38 | N40 | O39 | 179.4° | 178.5° |
| C37 | C38 | N40 | H401 | 180.0° | 179.6° |
| C37 | C38 | N40 | H402 | 0.0° | 0.6° |
| H371 | C37 | C38 | N40 | 177.6° | 23.3° |
| H371 | C37 | C38 | O39 | 1.8° | 155.2° |
| H372 | C37 | C38 | N40 | 56.6° | 136.8° |
| H372 | C37 | C38 | O39 | 123.9° | 41.7° |
| C38 | N40 | H401 | H402 | 180.0° | 179.8° |
| O39 | C38 | N40 | H401 | 0.6° | 1.1° |
| O39 | C38 | N40 | H402 | 179.5° | 179.1° |
