B12
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | CO | sing | 1.93Å | 1.85Å | |
| N21 | C1 | sing | 1.49Å | 1.48Å | |
| N21 | C4 | doub | 1.31Å | 1.30Å | |
| N22 | CO | sing | 1.94Å | 1.91Å | |
| N22 | C6 | sing | 1.38Å | 1.39Å | |
| N22 | C9 | doub | 1.35Å | 1.33Å | |
| N23 | CO | sing | 1.93Å | 1.84Å | |
| N23 | C11 | sing | 1.37Å | 1.35Å | |
| N23 | C14 | sing | 1.37Å | 1.38Å | |
| N24 | CO | sing | 1.94Å | 1.90Å | |
| N24 | C16 | doub | 1.32Å | 1.29Å | |
| N24 | C19 | sing | 1.49Å | 1.47Å | |
| C1 | C20 | sing | 1.54Å | 1.55Å | |
| C1 | C2 | sing | 1.64Å | 1.59Å | |
| C1 | C19 | sing | 1.55Å | 1.57Å | |
| C20 | H201 | sing | 0.98Å | 1.10Å | |
| C20 | H202 | sing | 0.98Å | 1.10Å | |
| C20 | H203 | sing | 0.96Å | 1.10Å | |
| C2 | C25 | sing | 1.55Å | 1.56Å | |
| C2 | C26 | sing | 1.58Å | 1.55Å | |
| C2 | C3 | sing | 1.58Å | 1.55Å | |
| C25 | H251 | sing | 0.97Å | 1.10Å | |
| C25 | H252 | sing | 0.97Å | 1.10Å | |
| C25 | H253 | sing | 0.97Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 0.99Å | 1.10Å | |
| C26 | H262 | sing | 0.99Å | 1.10Å | |
| C27 | O28 | doub | 1.24Å | 1.23Å | |
| C27 | N29 | sing | 1.33Å | 1.34Å | |
| N29 | H291 | sing | 0.89Å | 1.00Å | |
| N29 | H292 | sing | 0.89Å | 1.00Å | |
| C3 | C30 | sing | 1.57Å | 1.58Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 0.98Å | 1.10Å | |
| C30 | C31 | sing | 1.54Å | 1.56Å | |
| C30 | H301 | sing | 0.99Å | 1.10Å | |
| C30 | H302 | sing | 0.98Å | 1.10Å | |
| C31 | C32 | sing | 1.52Å | 1.53Å | |
| C31 | H311 | sing | 0.97Å | 1.10Å | |
| C31 | H312 | sing | 0.97Å | 1.10Å | |
| C32 | O34 | doub | 1.24Å | 1.24Å | |
| C32 | N33 | sing | 1.33Å | 1.34Å | |
| N33 | H331 | sing | 0.89Å | 1.00Å | |
| N33 | H332 | sing | 0.89Å | 1.00Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C5 | C35 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | doub | 1.43Å | 1.38Å | |
| C35 | H351 | sing | 0.97Å | 1.10Å | |
| C35 | H352 | sing | 0.97Å | 1.10Å | |
| C35 | H353 | sing | 0.97Å | 1.10Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C7 | C36 | sing | 1.55Å | 1.53Å | |
| C7 | C37 | sing | 1.58Å | 1.57Å | |
| C7 | C8 | sing | 1.57Å | 1.57Å | |
| C36 | H361 | sing | 0.97Å | 1.10Å | |
| C36 | H362 | sing | 0.98Å | 1.10Å | |
| C36 | H363 | sing | 0.98Å | 1.10Å | |
| C37 | C38 | sing | 1.52Å | 1.56Å | |
| C37 | H371 | sing | 0.97Å | 1.10Å | |
| C37 | H372 | sing | 0.97Å | 1.10Å | |
| C38 | O39 | doub | 1.24Å | 1.26Å | |
| C38 | N40 | sing | 1.33Å | 1.32Å | |
| N40 | H401 | sing | 0.89Å | 1.00Å | |
| N40 | H402 | sing | 0.89Å | 1.00Å | |
| C8 | C41 | sing | 1.56Å | 1.57Å | |
| C8 | C9 | sing | 1.52Å | 1.51Å | |
| C8 | H8 | sing | 0.99Å | 1.10Å | |
| C41 | C42 | sing | 1.54Å | 1.54Å | |
| C41 | H411 | sing | 0.98Å | 1.10Å | |
| C41 | H412 | sing | 0.98Å | 1.10Å | |
| C42 | C43 | sing | 1.52Å | 1.49Å | |
| C42 | H421 | sing | 0.97Å | 1.10Å | |
| C42 | H422 | sing | 0.97Å | 1.10Å | |
| C43 | O44 | doub | 1.24Å | 1.26Å | |
| C43 | N45 | sing | 1.33Å | 1.34Å | |
| N45 | H451 | sing | 0.89Å | 1.00Å | |
| N45 | H452 | sing | 0.89Å | 1.00Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | |
| C10 | C11 | doub | 1.39Å | 1.37Å | |
| C10 | H10 | sing | 0.94Å | 1.08Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C46 | sing | 1.55Å | 1.57Å | |
| C12 | C47 | sing | 1.55Å | 1.55Å | |
| C12 | C13 | sing | 1.56Å | 1.54Å | |
| 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 | 0.98Å | 1.10Å | |
| C47 | H473 | sing | 0.98Å | 1.10Å | |
| C13 | C48 | sing | 1.55Å | 1.57Å | |
| C13 | C14 | sing | 1.54Å | 1.50Å | |
| C13 | H13 | sing | 0.99Å | 1.10Å | |
| C48 | C49 | sing | 1.54Å | 1.55Å | |
| C48 | H481 | sing | 0.99Å | 1.10Å | |
| C48 | H482 | sing | 0.99Å | 1.10Å | |
| C49 | C50 | sing | 1.52Å | 1.54Å | |
| C49 | H491 | sing | 0.97Å | 1.10Å | |
| C49 | H492 | sing | 0.97Å | 1.10Å | |
| C50 | O51 | doub | 1.24Å | 1.28Å | |
| C50 | N52 | sing | 1.33Å | 1.29Å | |
| N52 | H521 | sing | 0.89Å | 1.00Å | |
| N52 | H522 | sing | 0.89Å | 1.00Å | |
| C14 | C15 | doub | 1.41Å | 1.38Å | |
| C15 | C53 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.44Å | 1.43Å | |
| C53 | H531 | sing | 0.97Å | 1.10Å | |
| C53 | H532 | sing | 0.97Å | 1.10Å | |
| C53 | H533 | sing | 0.97Å | 1.10Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C17 | C54 | sing | 1.56Å | 1.58Å | |
| C17 | C55 | sing | 1.56Å | 1.50Å | |
| C17 | C18 | sing | 1.58Å | 1.54Å | |
| C54 | H541 | sing | 0.97Å | 1.10Å | |
| C54 | H542 | sing | 0.98Å | 1.10Å | |
| C54 | H543 | sing | 0.98Å | 1.10Å | |
| C55 | C56 | sing | 1.54Å | 1.55Å | |
| C55 | H551 | sing | 0.98Å | 1.10Å | |
| C55 | H552 | sing | 0.98Å | 1.10Å | |
| C56 | C57 | sing | 1.51Å | 1.53Å | |
| C56 | H561 | sing | 0.97Å | 1.10Å | |
| C56 | H562 | sing | 0.97Å | 1.10Å | |
| C57 | O58 | doub | 1.24Å | 1.22Å | |
| C57 | N59 | sing | 1.35Å | 1.31Å | |
| N59 | C1P | sing | 1.46Å | 1.47Å | |
| N59 | H59 | sing | 0.88Å | 1.00Å | |
| C18 | C60 | sing | 1.56Å | 1.56Å | |
| C18 | C19 | sing | 1.56Å | 1.52Å | |
| C18 | H18 | sing | 0.99Å | 1.10Å | |
| C60 | C61 | sing | 1.52Å | 1.53Å | |
| C60 | H601 | sing | 0.97Å | 1.10Å | |
| C60 | H602 | sing | 0.97Å | 1.10Å | |
| C61 | O63 | doub | 1.24Å | 1.24Å | |
| C61 | N62 | sing | 1.33Å | 1.33Å | |
| N62 | H621 | sing | 0.89Å | 1.00Å | |
| N62 | H622 | sing | 0.89Å | 1.00Å | |
| C19 | H91 | sing | 0.99Å | 1.10Å | |
| C1P | C2P | sing | 1.53Å | 1.53Å | |
| C1P | H1P1 | sing | 0.99Å | 1.10Å | |
| C1P | H1P2 | sing | 0.99Å | 1.10Å | |
| C2P | C3P | sing | 1.51Å | 1.54Å | |
| C2P | O3 | sing | 1.45Å | 1.46Å | |
| 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 | |
| O3 | P | sing | 1.59Å | 1.62Å | |
| O4 | P | doub | 1.49Å | 1.47Å | |
| O5 | P | sing | 1.49Å | 1.53Å | |
| O5 | HOP5 | sing | 9.28Å | 0.95Å | |
| P | O2 | sing | 1.61Å | 1.64Å | |
| O2 | C3R | sing | 1.43Å | 1.40Å | |
| C3R | C2R | sing | 1.54Å | 1.51Å | |
| C3R | C4R | sing | 1.53Å | 1.57Å | |
| C3R | H3R | sing | 0.99Å | 1.10Å | |
| C2R | O7R | sing | 1.42Å | 1.40Å | |
| C2R | C1R | sing | 1.53Å | 1.55Å | |
| C2R | H2R | sing | 0.99Å | 1.10Å | |
| O7R | HOR7 | sing | 0.84Å | 0.95Å | |
| C1R | O6R | sing | 1.43Å | 1.39Å | |
| C1R | N1B | sing | 1.46Å | 1.46Å | |
| C1R | H1R | sing | 0.99Å | 1.10Å | |
| O6R | C4R | sing | 1.44Å | 1.45Å | |
| C4R | C5R | sing | 1.51Å | 1.52Å | |
| C4R | H4R | sing | 0.99Å | 1.10Å | |
| C5R | O8R | sing | 1.42Å | 1.47Å | |
| C5R | H5R1 | sing | 0.98Å | 1.10Å | |
| C5R | H5R2 | sing | 0.98Å | 1.10Å | |
| O8R | HOR8 | sing | 0.85Å | 0.95Å | |
| N1B | C8B | sing | 1.38Å | 1.39Å | Aromatic |
| N1B | C2B | sing | 1.36Å | 1.33Å | Aromatic |
| C8B | C9B | doub | 1.40Å | 1.39Å | Aromatic |
| C8B | C7B | sing | 1.39Å | 1.40Å | Aromatic |
| C2B | N3B | doub | 1.31Å | 1.32Å | Aromatic |
| C2B | H2B | sing | 0.94Å | 1.08Å | |
| N3B | C9B | sing | 1.39Å | 1.40Å | Aromatic |
| C9B | C4B | sing | 1.39Å | 1.41Å | Aromatic |
| C4B | C5B | doub | 1.38Å | 1.40Å | Aromatic |
| C4B | H4B | sing | 0.94Å | 1.08Å | |
| C5B | C5M | sing | 1.52Å | 1.51Å | |
| C5B | C6B | sing | 1.43Å | 1.45Å | Aromatic |
| C5M | HM51 | sing | 0.97Å | 1.10Å | |
| C5M | HM52 | sing | 0.97Å | 1.10Å | |
| C5M | HM53 | sing | 0.97Å | 1.10Å | |
| C6B | C6M | sing | 1.51Å | 1.48Å | |
| C6B | C7B | doub | 1.39Å | 1.41Å | Aromatic |
| C6M | HM61 | sing | 0.97Å | 1.10Å | |
| C6M | HM62 | sing | 0.97Å | 1.10Å | |
| C6M | HM63 | sing | 0.97Å | 1.10Å | |
| C7B | H7B | sing | 0.95Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CO | N21 | C1 | 118.7° | 113.6° |
| CO | N21 | C4 | 131.0° | 127.9° |
| N21 | CO | N22 | 92.1° | 87.3° |
| N21 | CO | N23 | 171.0° | 160.6° |
| N21 | CO | N24 | 81.8° | 84.6° |
| C1 | N21 | C4 | 110.2° | 118.5° |
| N21 | C1 | C20 | 112.0° | 99.4° |
| N21 | C1 | C2 | 103.0° | 99.3° |
| N21 | C1 | C19 | 102.7° | 101.6° |
| N21 | C4 | C3 | 112.5° | 109.1° |
| N21 | C4 | C5 | 123.5° | 123.2° |
| CO | N22 | C6 | 126.6° | 127.7° |
| CO | N22 | C9 | 122.0° | 122.3° |
| N22 | CO | N23 | 96.7° | 97.0° |
| N22 | CO | N24 | 169.5° | 171.7° |
| C6 | N22 | C9 | 110.3° | 109.6° |
| N22 | C6 | C5 | 123.8° | 118.6° |
| N22 | C6 | C7 | 110.8° | 108.5° |
| N22 | C9 | C8 | 112.9° | 111.4° |
| N22 | C9 | C10 | 126.6° | 124.6° |
| CO | N23 | C11 | 125.4° | 124.0° |
| CO | N23 | C14 | 127.3° | 127.0° |
| N23 | CO | N24 | 89.2° | 90.0° |
| C11 | N23 | C14 | 107.1° | 109.0° |
| N23 | C11 | C10 | 124.0° | 122.3° |
| N23 | C11 | C12 | 111.5° | 112.6° |
| N23 | C14 | C13 | 111.8° | 108.5° |
| N23 | C14 | C15 | 128.0° | 122.9° |
| CO | N24 | C16 | 127.7° | 131.8° |
| CO | N24 | C19 | 117.4° | 110.5° |
| C16 | N24 | C19 | 113.7° | 117.6° |
| N24 | C16 | C15 | 128.5° | 119.4° |
| N24 | C16 | C17 | 108.1° | 107.6° |
| N24 | C19 | C1 | 105.5° | 109.2° |
| N24 | C19 | C18 | 106.4° | 100.8° |
| N24 | C19 | H91 | 109.6° | 107.9° |
| C20 | C1 | C2 | 112.4° | 118.5° |
| C20 | C1 | C19 | 110.5° | 109.7° |
| C1 | C20 | H201 | 109.5° | 110.2° |
| C1 | C20 | H202 | 109.5° | 110.9° |
| C1 | C20 | H203 | 109.5° | 110.0° |
| C2 | C1 | C19 | 115.6° | 122.6° |
| C1 | C2 | C25 | 112.1° | 111.3° |
| C1 | C2 | C26 | 109.7° | 113.8° |
| C1 | C2 | C3 | 99.9° | 103.4° |
| C1 | C19 | C18 | 117.9° | 124.2° |
| C1 | C19 | H91 | 108.3° | 107.1° |
| H201 | C20 | H202 | 109.5° | 109.2° |
| H201 | C20 | H203 | 109.4° | 108.5° |
| H202 | C20 | H203 | 109.4° | 107.9° |
| C25 | C2 | C26 | 112.8° | 107.7° |
| C25 | C2 | C3 | 113.8° | 114.5° |
| C2 | C25 | H251 | 109.5° | 110.2° |
| C2 | C25 | H252 | 109.5° | 109.7° |
| C2 | C25 | H253 | 109.5° | 110.4° |
| C26 | C2 | C3 | 107.7° | 106.2° |
| C2 | C26 | C27 | 111.3° | 119.9° |
| C2 | C26 | H261 | 109.0° | 108.3° |
| C2 | C26 | H262 | 109.0° | 107.9° |
| C2 | C3 | C30 | 117.9° | 123.3° |
| C2 | C3 | C4 | 103.0° | 102.9° |
| C2 | C3 | H3 | 107.5° | 106.7° |
| H251 | C25 | H252 | 109.5° | 109.3° |
| H251 | C25 | H253 | 109.5° | 108.4° |
| H252 | C25 | H253 | 109.5° | 108.7° |
| C27 | C26 | H261 | 109.0° | 107.5° |
| C27 | C26 | H262 | 109.0° | 106.4° |
| C26 | C27 | O28 | 127.6° | 120.3° |
| C26 | C27 | N29 | 116.2° | 119.0° |
| H261 | C26 | H262 | 109.5° | 106.2° |
| O28 | C27 | N29 | 116.2° | 120.7° |
| C27 | N29 | H291 | 120.0° | 120.0° |
| C27 | N29 | H292 | 120.0° | 120.8° |
| H291 | N29 | H292 | 120.0° | 119.2° |
| C30 | C3 | C4 | 113.0° | 114.4° |
| C30 | C3 | H3 | 107.1° | 105.4° |
| C3 | C30 | C31 | 109.9° | 122.5° |
| C3 | C30 | H301 | 109.4° | 106.2° |
| C3 | C30 | H302 | 109.4° | 108.2° |
| C4 | C3 | H3 | 107.9° | 102.0° |
| C3 | C4 | C5 | 124.0° | 127.6° |
| C31 | C30 | H301 | 109.4° | 106.2° |
| C31 | C30 | H302 | 109.3° | 107.0° |
| C30 | C31 | C32 | 116.2° | 113.2° |
| C30 | C31 | H311 | 107.8° | 109.0° |
| C30 | C31 | H312 | 107.7° | 109.2° |
| H301 | C30 | H302 | 109.5° | 105.6° |
| C32 | C31 | H311 | 107.8° | 108.5° |
| C32 | C31 | H312 | 107.8° | 108.7° |
| C31 | C32 | O34 | 118.2° | 119.7° |
| C31 | C32 | N33 | 122.9° | 118.3° |
| H311 | C31 | H312 | 109.5° | 108.1° |
| O34 | C32 | N33 | 119.0° | 122.0° |
| C32 | N33 | H331 | 120.0° | 119.2° |
| C32 | N33 | H332 | 120.0° | 121.9° |
| H331 | N33 | H332 | 120.0° | 118.9° |
| C4 | C5 | C35 | 116.1° | 117.8° |
| C4 | C5 | C6 | 122.6° | 121.1° |
| C35 | C5 | C6 | 121.3° | 120.9° |
| C5 | C35 | H351 | 109.5° | 109.6° |
| C5 | C35 | H352 | 109.5° | 109.4° |
| C5 | C35 | H353 | 109.5° | 110.2° |
| C5 | C6 | C7 | 125.4° | 132.9° |
| H351 | C35 | H352 | 109.4° | 109.4° |
| H351 | C35 | H353 | 109.5° | 108.8° |
| H352 | C35 | H353 | 109.5° | 109.4° |
| C6 | C7 | C36 | 114.2° | 114.1° |
| C6 | C7 | C37 | 109.1° | 113.6° |
| C6 | C7 | C8 | 102.3° | 100.3° |
| C36 | C7 | C37 | 112.9° | 109.5° |
| C36 | C7 | C8 | 112.9° | 112.6° |
| C7 | C36 | H361 | 109.5° | 110.1° |
| C7 | C36 | H362 | 109.5° | 109.8° |
| C7 | C36 | H363 | 109.5° | 110.0° |
| C37 | C7 | C8 | 104.6° | 106.2° |
| C7 | C37 | C38 | 109.2° | 119.3° |
| C7 | C37 | H371 | 109.5° | 108.1° |
| C7 | C37 | H372 | 109.5° | 108.6° |
| C7 | C8 | C41 | 110.5° | 120.2° |
| C7 | C8 | C9 | 103.2° | 98.5° |
| C7 | C8 | H8 | 111.3° | 110.3° |
| H361 | C36 | H362 | 109.5° | 108.9° |
| H361 | C36 | H363 | 109.5° | 108.6° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| C38 | C37 | H371 | 109.5° | 107.3° |
| C38 | C37 | H372 | 109.6° | 106.5° |
| C37 | C38 | O39 | 116.8° | 118.9° |
| C37 | C38 | N40 | 117.8° | 119.6° |
| H371 | C37 | H372 | 109.4° | 106.3° |
| O39 | C38 | N40 | 125.4° | 121.5° |
| C38 | N40 | H401 | 120.0° | 119.9° |
| C38 | N40 | H402 | 120.0° | 120.6° |
| H401 | N40 | H402 | 120.0° | 119.5° |
| C41 | C8 | C9 | 108.1° | 110.2° |
| C41 | C8 | H8 | 111.3° | 108.4° |
| C8 | C41 | C42 | 112.2° | 118.9° |
| C8 | C41 | H411 | 108.8° | 108.5° |
| C8 | C41 | H412 | 108.8° | 107.9° |
| C9 | C8 | H8 | 112.1° | 108.6° |
| C8 | C9 | C10 | 120.5° | 124.0° |
| C42 | C41 | H411 | 108.8° | 106.5° |
| C42 | C41 | H412 | 108.8° | 107.7° |
| C41 | C42 | C43 | 112.5° | 115.7° |
| C41 | C42 | H421 | 108.7° | 108.1° |
| C41 | C42 | H422 | 108.7° | 108.6° |
| H411 | C41 | H412 | 109.5° | 106.8° |
| C43 | C42 | H421 | 108.7° | 108.1° |
| C43 | C42 | H422 | 108.7° | 108.8° |
| C42 | C43 | O44 | 119.2° | 119.4° |
| C42 | C43 | N45 | 122.6° | 119.0° |
| H421 | C42 | H422 | 109.5° | 107.3° |
| O44 | C43 | N45 | 118.3° | 121.6° |
| C43 | N45 | H451 | 120.0° | 119.2° |
| C43 | N45 | H452 | 120.0° | 122.2° |
| H451 | N45 | H452 | 120.0° | 118.7° |
| C9 | C10 | C11 | 124.9° | 129.4° |
| C9 | C10 | H10 | 117.6° | 114.4° |
| C11 | C10 | H10 | 117.6° | 116.2° |
| C10 | C11 | C12 | 124.5° | 125.1° |
| C11 | C12 | C46 | 105.1° | 113.4° |
| C11 | C12 | C47 | 114.8° | 109.0° |
| C11 | C12 | C13 | 100.7° | 98.5° |
| C46 | C12 | C47 | 109.5° | 108.3° |
| C46 | C12 | C13 | 109.2° | 115.7° |
| C12 | C46 | H461 | 109.5° | 110.0° |
| C12 | C46 | H462 | 109.5° | 109.6° |
| C12 | C46 | H463 | 109.5° | 109.8° |
| C47 | C12 | C13 | 116.7° | 111.5° |
| C12 | C47 | H471 | 109.5° | 109.9° |
| C12 | C47 | H472 | 109.4° | 109.8° |
| C12 | C47 | H473 | 109.4° | 109.8° |
| C12 | C13 | C48 | 114.3° | 124.3° |
| C12 | C13 | C14 | 100.2° | 101.9° |
| C12 | C13 | H13 | 111.4° | 107.7° |
| H461 | C46 | H462 | 109.5° | 108.8° |
| H461 | C46 | H463 | 109.5° | 109.3° |
| H462 | C46 | H463 | 109.4° | 109.3° |
| H471 | C47 | H472 | 109.5° | 109.2° |
| H471 | C47 | H473 | 109.4° | 109.3° |
| H472 | C47 | H473 | 109.5° | 108.8° |
| C48 | C13 | C14 | 107.5° | 108.3° |
| C48 | C13 | H13 | 111.0° | 106.2° |
| C13 | C48 | C49 | 109.9° | 120.7° |
| C13 | C48 | H481 | 109.4° | 107.0° |
| C13 | C48 | H482 | 109.4° | 107.7° |
| C14 | C13 | H13 | 112.0° | 107.5° |
| C13 | C14 | C15 | 120.2° | 128.3° |
| C49 | C48 | H481 | 109.3° | 106.9° |
| C49 | C48 | H482 | 109.4° | 107.5° |
| C48 | C49 | C50 | 110.3° | 113.4° |
| C48 | C49 | H491 | 109.3° | 109.0° |
| C48 | C49 | H492 | 109.2° | 108.8° |
| H481 | C48 | H482 | 109.4° | 106.2° |
| C50 | C49 | H491 | 109.2° | 108.8° |
| C50 | C49 | H492 | 109.3° | 108.7° |
| C49 | C50 | O51 | 116.5° | 119.7° |
| C49 | C50 | N52 | 120.9° | 118.4° |
| H491 | C49 | H492 | 109.5° | 107.9° |
| O51 | C50 | N52 | 122.7° | 122.0° |
| C50 | N52 | H521 | 120.0° | 119.3° |
| C50 | N52 | H522 | 120.0° | 121.8° |
| H521 | N52 | H522 | 120.0° | 118.9° |
| C14 | C15 | C53 | 121.3° | 117.0° |
| C14 | C15 | C16 | 114.9° | 122.7° |
| C53 | C15 | C16 | 123.8° | 120.1° |
| C15 | C53 | H531 | 109.5° | 110.2° |
| C15 | C53 | H532 | 109.4° | 109.4° |
| C15 | C53 | H533 | 109.5° | 110.0° |
| C15 | C16 | C17 | 123.4° | 133.0° |
| H531 | C53 | H532 | 109.5° | 109.4° |
| H531 | C53 | H533 | 109.5° | 108.5° |
| H532 | C53 | H533 | 109.5° | 109.3° |
| C16 | C17 | C54 | 91.3° | 107.7° |
| C16 | C17 | C55 | 123.5° | 114.9° |
| C16 | C17 | C18 | 105.1° | 103.0° |
| C54 | C17 | C55 | 107.2° | 108.7° |
| C54 | C17 | C18 | 108.7° | 112.1° |
| C17 | C54 | H541 | 109.5° | 110.0° |
| C17 | C54 | H542 | 109.5° | 110.4° |
| C17 | C54 | H543 | 109.5° | 110.0° |
| C55 | C17 | C18 | 117.4° | 110.3° |
| C17 | C55 | C56 | 114.3° | 119.1° |
| C17 | C55 | H551 | 108.2° | 108.4° |
| C17 | C55 | H552 | 108.2° | 108.3° |
| C17 | C18 | C60 | 116.2° | 116.9° |
| C17 | C18 | C19 | 101.8° | 104.1° |
| C17 | C18 | H18 | 108.6° | 106.9° |
| H541 | C54 | H542 | 109.5° | 108.2° |
| H541 | C54 | H543 | 109.5° | 108.9° |
| H542 | C54 | H543 | 109.5° | 109.2° |
| C56 | C55 | H551 | 108.3° | 107.2° |
| C56 | C55 | H552 | 108.3° | 106.9° |
| C55 | C56 | C57 | 105.5° | 112.3° |
| C55 | C56 | H561 | 110.4° | 109.2° |
| C55 | C56 | H562 | 110.5° | 109.8° |
| H551 | C55 | H552 | 109.5° | 106.3° |
| C57 | C56 | H561 | 110.5° | 108.8° |
| C57 | C56 | H562 | 110.5° | 109.2° |
| C56 | C57 | O58 | 120.3° | 119.1° |
| C56 | C57 | N59 | 115.9° | 118.5° |
| H561 | C56 | H562 | 109.5° | 107.5° |
| O58 | C57 | N59 | 123.8° | 122.4° |
| C57 | N59 | C1P | 114.8° | 123.6° |
| C57 | N59 | H59 | 122.6° | 118.2° |
| C1P | N59 | H59 | 122.6° | 118.3° |
| N59 | C1P | C2P | 109.5° | 116.4° |
| N59 | C1P | H1P1 | 109.5° | 107.9° |
| N59 | C1P | H1P2 | 109.4° | 107.9° |
| C60 | C18 | C19 | 112.8° | 119.1° |
| C60 | C18 | H18 | 108.4° | 105.3° |
| C18 | C60 | C61 | 112.2° | 119.2° |
| C18 | C60 | H601 | 108.8° | 108.3° |
| C18 | C60 | H602 | 108.8° | 108.5° |
| C19 | C18 | H18 | 108.9° | 103.1° |
| C18 | C19 | H91 | 109.0° | 106.7° |
| C61 | C60 | H601 | 108.8° | 108.1° |
| C61 | C60 | H602 | 108.8° | 105.8° |
| C60 | C61 | O63 | 122.0° | 119.9° |
| C60 | C61 | N62 | 115.1° | 118.4° |
| H601 | C60 | H602 | 109.5° | 106.2° |
| O63 | C61 | N62 | 122.8° | 121.5° |
| C61 | N62 | H621 | 120.0° | 119.8° |
| C61 | N62 | H622 | 120.0° | 121.0° |
| H621 | N62 | H622 | 120.0° | 119.1° |
| C2P | C1P | H1P1 | 109.5° | 108.6° |
| C2P | C1P | H1P2 | 109.5° | 108.3° |
| C1P | C2P | C3P | 112.1° | 114.2° |
| C1P | C2P | O3 | 106.4° | 108.0° |
| C1P | C2P | H2P | 110.1° | 106.6° |
| H1P1 | C1P | H1P2 | 109.5° | 107.4° |
| C3P | C2P | O3 | 107.2° | 109.0° |
| C3P | C2P | H2P | 110.0° | 109.2° |
| C2P | C3P | H3P1 | 109.5° | 109.4° |
| C2P | C3P | H3P2 | 109.5° | 109.7° |
| C2P | C3P | H3P3 | 109.5° | 109.6° |
| O3 | C2P | H2P | 111.0° | 109.8° |
| C2P | O3 | P | 120.1° | 122.0° |
| H3P1 | C3P | H3P2 | 109.5° | 109.4° |
| H3P1 | C3P | H3P3 | 109.5° | 109.4° |
| H3P2 | C3P | H3P3 | 109.5° | 109.5° |
| O3 | P | O4 | 110.7° | 109.6° |
| O3 | P | O5 | 106.4° | 110.2° |
| O3 | P | O2 | 102.0° | 100.5° |
| O4 | P | O5 | 120.7° | 117.9° |
| O4 | P | O2 | 110.0° | 109.8° |
| P | O5 | HOP5 | 109.5° | 46.0° |
| O5 | P | O2 | 105.4° | 107.3° |
| P | O2 | C3R | 118.0° | 123.0° |
| O2 | C3R | C2R | 118.9° | 112.3° |
| O2 | C3R | C4R | 105.3° | 108.2° |
| O2 | C3R | H3R | 110.5° | 110.7° |
| C2R | C3R | C4R | 104.6° | 104.8° |
| C2R | C3R | H3R | 108.8° | 109.2° |
| C3R | C2R | O7R | 115.2° | 111.3° |
| C3R | C2R | C1R | 102.4° | 104.6° |
| C3R | C2R | H2R | 108.4° | 107.9° |
| C4R | C3R | H3R | 108.2° | 111.5° |
| C3R | C4R | O6R | 104.4° | 105.0° |
| C3R | C4R | C5R | 113.9° | 116.7° |
| C3R | C4R | H4R | 108.6° | 109.0° |
| O7R | C2R | C1R | 112.5° | 113.4° |
| O7R | C2R | H2R | 110.0° | 110.2° |
| C2R | O7R | HOR7 | 109.5° | 110.6° |
| C1R | C2R | H2R | 107.9° | 109.2° |
| C2R | C1R | O6R | 103.4° | 107.8° |
| C2R | C1R | N1B | 115.5° | 114.6° |
| C2R | C1R | H1R | 109.5° | 108.6° |
| O6R | C1R | N1B | 105.3° | 109.4° |
| O6R | C1R | H1R | 112.0° | 107.7° |
| C1R | O6R | C4R | 110.4° | 110.4° |
| N1B | C1R | H1R | 110.8° | 108.6° |
| C1R | N1B | C8B | 125.1° | 125.5° |
| C1R | N1B | C2B | 127.9° | 128.3° |
| O6R | C4R | C5R | 110.5° | 108.6° |
| O6R | C4R | H4R | 110.2° | 108.8° |
| C5R | C4R | H4R | 109.2° | 108.5° |
| C4R | C5R | O8R | 107.6° | 111.9° |
| C4R | C5R | H5R1 | 110.0° | 108.9° |
| C4R | C5R | H5R2 | 109.9° | 109.9° |
| O8R | C5R | H5R1 | 109.9° | 109.1° |
| O8R | C5R | H5R2 | 109.9° | 109.4° |
| C5R | O8R | HOR8 | 109.5° | 109.0° |
| H5R1 | C5R | H5R2 | 109.5° | 107.5° |
| C8B | N1B | C2B | 107.0° | 106.2° |
| N1B | C8B | C9B | 106.5° | 106.2° |
| N1B | C8B | C7B | 127.5° | 133.2° |
| N1B | C2B | N3B | 112.4° | 113.5° |
| N1B | C2B | H2B | 123.8° | 122.6° |
| C9B | C8B | C7B | 126.0° | 120.6° |
| C8B | C9B | N3B | 107.5° | 108.7° |
| C8B | C9B | C4B | 119.1° | 120.3° |
| C8B | C7B | C6B | 116.4° | 119.4° |
| C8B | C7B | H7B | 121.8° | 120.7° |
| N3B | C2B | H2B | 123.8° | 123.9° |
| C2B | N3B | C9B | 106.6° | 105.4° |
| N3B | C9B | C4B | 133.4° | 130.9° |
| C9B | C4B | C5B | 116.7° | 119.8° |
| C9B | C4B | H4B | 121.6° | 120.0° |
| C5B | C4B | H4B | 121.6° | 120.2° |
| C4B | C5B | C5M | 121.6° | 118.4° |
| C4B | C5B | C6B | 123.7° | 119.9° |
| C5M | C5B | C6B | 114.8° | 121.7° |
| C5B | C5M | HM51 | 109.5° | 110.0° |
| C5B | C5M | HM52 | 109.5° | 110.2° |
| C5B | C5M | HM53 | 109.5° | 109.8° |
| C5B | C6B | C6M | 120.6° | 121.6° |
| C5B | C6B | C7B | 118.1° | 119.9° |
| HM51 | C5M | HM52 | 109.5° | 108.6° |
| HM51 | C5M | HM53 | 109.4° | 109.5° |
| HM52 | C5M | HM53 | 109.5° | 108.7° |
| C6M | C6B | C7B | 121.3° | 118.5° |
| C6B | C6M | HM61 | 109.5° | 110.2° |
| C6B | C6M | HM62 | 109.5° | 110.0° |
| C6B | C6M | HM63 | 109.5° | 109.9° |
| C6B | C7B | H7B | 121.8° | 119.9° |
| HM61 | C6M | HM62 | 109.4° | 108.4° |
| HM61 | C6M | HM63 | 109.4° | 108.8° |
| HM62 | C6M | HM63 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CO | N21 | C1 | C4 | 177.0° | 178.3° |
| N21 | CO | N22 | N23 | 178.1° | 161.0° |
| N21 | CO | N22 | N24 | 53.9° | 14.4° |
| N21 | CO | N22 | C6 | 6.0° | 32.7° |
| N21 | CO | N22 | C9 | 172.6° | 155.1° |
| N21 | CO | N23 | N24 | 3.4° | 73.5° |
| N21 | CO | N23 | C11 | 161.4° | 98.8° |
| N21 | CO | N23 | C14 | 24.5° | 79.0° |
| N21 | CO | N24 | C16 | 159.3° | 176.4° |
| N21 | CO | N24 | C19 | 7.5° | 7.8° |
| CO | N21 | C1 | C20 | 82.4° | 70.8° |
| CO | N21 | C1 | C2 | 156.6° | 168.0° |
| CO | N21 | C1 | C19 | 36.2° | 41.7° |
| CO | N21 | C4 | C3 | 175.7° | 175.5° |
| CO | N21 | C4 | C5 | 3.9° | 0.4° |
| C1 | N21 | CO | N22 | 170.2° | 156.9° |
| C1 | N21 | CO | N23 | 21.7° | 53.4° |
| C1 | N21 | CO | N24 | 18.3° | 21.0° |
| N21 | C1 | C19 | N24 | 37.0° | 46.9° |
| N21 | C1 | C20 | C2 | 115.4° | 106.1° |
| N21 | C1 | C20 | C19 | 113.9° | 106.1° |
| N21 | C1 | C2 | C19 | 111.2° | 110.3° |
| N21 | C1 | C20 | H201 | 180.0° | 174.9° |
| N21 | C1 | C20 | H202 | 60.0° | 53.9° |
| N21 | C1 | C20 | H203 | 60.0° | 65.4° |
| N21 | C1 | C2 | C25 | 153.7° | 145.1° |
| N21 | C1 | C2 | C26 | 80.2° | 93.1° |
| N21 | C1 | C2 | C3 | 32.8° | 21.7° |
| C1 | N21 | C4 | C3 | 7.8° | 6.5° |
| C1 | N21 | C4 | C5 | 172.5° | 177.6° |
| N21 | C1 | C19 | C18 | 155.5° | 165.4° |
| N21 | C1 | C19 | H91 | 80.3° | 69.7° |
| C4 | N21 | CO | N22 | 6.0° | 25.0° |
| C4 | N21 | CO | N23 | 162.0° | 128.5° |
| C4 | N21 | CO | N24 | 165.5° | 157.1° |
| C4 | N21 | C1 | C20 | 94.6° | 110.9° |
| C4 | N21 | C1 | C2 | 26.4° | 10.3° |
| C4 | N21 | C1 | C19 | 146.8° | 136.6° |
| N21 | C4 | C3 | C2 | 14.6° | 20.8° |
| N21 | C4 | C3 | C30 | 113.7° | 115.4° |
| N21 | C4 | C3 | C5 | 179.6° | 175.7° |
| N21 | C4 | C3 | H3 | 128.1° | 131.3° |
| N21 | C4 | C5 | C35 | 179.7° | 153.4° |
| N21 | C4 | C5 | C6 | 0.2° | 31.7° |
| CO | N22 | C6 | C9 | 167.9° | 173.0° |
| N22 | CO | N23 | N24 | 171.4° | 175.4° |
| N22 | CO | N23 | C11 | 6.5° | 3.1° |
| N22 | CO | N23 | C14 | 167.5° | 179.1° |
| N22 | CO | N24 | C16 | 146.0° | 161.9° |
| N22 | CO | N24 | C19 | 47.2° | 22.3° |
| CO | N22 | C6 | C5 | 4.4° | 14.9° |
| CO | N22 | C6 | C7 | 176.2° | 165.7° |
| CO | N22 | C9 | C8 | 177.0° | 170.5° |
| CO | N22 | C9 | C10 | 3.6° | 7.9° |
| C6 | N22 | CO | N23 | 172.1° | 166.3° |
| C6 | N22 | CO | N24 | 47.9° | 47.1° |
| N22 | C6 | C5 | C4 | 0.2° | 23.0° |
| N22 | C6 | C5 | C35 | 179.9° | 162.2° |
| N22 | C6 | C5 | C7 | 179.4° | 179.1° |
| N22 | C6 | C7 | C36 | 117.6° | 146.4° |
| N22 | C6 | C7 | C37 | 115.1° | 87.0° |
| N22 | C6 | C7 | C8 | 4.7° | 25.8° |
| C6 | N22 | C9 | C8 | 8.4° | 16.1° |
| C6 | N22 | C9 | C10 | 172.1° | 165.6° |
| C9 | N22 | CO | N23 | 5.5° | 5.9° |
| C9 | N22 | CO | N24 | 118.6° | 140.7° |
| C9 | N22 | C6 | C5 | 172.3° | 172.0° |
| C9 | N22 | C6 | C7 | 8.3° | 7.3° |
| N22 | C9 | C8 | C7 | 5.0° | 31.1° |
| N22 | C9 | C8 | C41 | 112.0° | 95.5° |
| N22 | C9 | C8 | C10 | 179.5° | 178.4° |
| N22 | C9 | C8 | H8 | 124.9° | 145.9° |
| N22 | C9 | C10 | C11 | 0.5° | 6.1° |
| N22 | C9 | C10 | H10 | 179.5° | 170.8° |
| CO | N23 | C11 | C14 | 175.1° | 178.1° |
| N23 | CO | N24 | C16 | 21.3° | 15.0° |
| N23 | CO | N24 | C19 | 172.0° | 169.2° |
| CO | N23 | C11 | C10 | 5.4° | 1.9° |
| CO | N23 | C11 | C12 | 175.2° | 179.5° |
| CO | N23 | C14 | C13 | 164.3° | 160.3° |
| CO | N23 | C14 | C15 | 15.8° | 13.9° |
| C11 | N23 | CO | N24 | 164.8° | 172.3° |
| N23 | C11 | C10 | C9 | 1.3° | 2.6° |
| N23 | C11 | C10 | C12 | 179.3° | 177.3° |
| N23 | C11 | C10 | H10 | 178.7° | 174.3° |
| N23 | C11 | C12 | C46 | 88.6° | 143.1° |
| N23 | C11 | C12 | C47 | 151.0° | 96.1° |
| N23 | C11 | C12 | C13 | 24.8° | 20.2° |
| C11 | N23 | C14 | C13 | 10.7° | 17.7° |
| C11 | N23 | C14 | C15 | 169.3° | 168.0° |
| C14 | N23 | CO | N24 | 21.1° | 5.4° |
| C14 | N23 | C11 | C10 | 169.7° | 180.0° |
| C14 | N23 | C11 | C12 | 9.7° | 2.3° |
| N23 | C14 | C13 | C12 | 25.3° | 29.8° |
| N23 | C14 | C13 | C48 | 94.3° | 102.7° |
| N23 | C14 | C13 | C15 | 179.9° | 173.8° |
| N23 | C14 | C13 | H13 | 143.6° | 142.9° |
| N23 | C14 | C15 | C53 | 179.6° | 154.6° |
| N23 | C14 | C15 | C16 | 0.9° | 30.3° |
| CO | N24 | C16 | C19 | 167.2° | 175.6° |
| CO | N24 | C19 | C1 | 28.1° | 33.5° |
| CO | N24 | C16 | C15 | 15.2° | 4.5° |
| CO | N24 | C16 | C17 | 166.6° | 177.6° |
| CO | N24 | C19 | C18 | 154.1° | 165.8° |
| CO | N24 | C19 | H91 | 88.3° | 82.6° |
| C16 | N24 | C19 | C1 | 140.5° | 150.0° |
| N24 | C16 | C15 | C14 | 0.9° | 20.6° |
| N24 | C16 | C15 | C53 | 179.7° | 164.4° |
| N24 | C16 | C15 | C17 | 178.0° | 177.2° |
| N24 | C16 | C17 | C54 | 96.4° | 104.1° |
| N24 | C16 | C17 | C55 | 151.9° | 134.6° |
| N24 | C16 | C17 | C18 | 13.3° | 14.6° |
| C16 | N24 | C19 | C18 | 14.5° | 17.7° |
| C16 | N24 | C19 | H91 | 103.1° | 93.9° |
| N24 | C19 | C1 | C20 | 82.7° | 57.7° |
| N24 | C19 | C1 | C2 | 148.3° | 156.0° |
| N24 | C19 | C1 | C18 | 118.5° | 118.5° |
| N24 | C19 | C1 | H91 | 117.3° | 116.6° |
| C19 | N24 | C16 | C15 | 177.7° | 179.9° |
| C19 | N24 | C16 | C17 | 0.6° | 2.0° |
| N24 | C19 | C18 | C17 | 21.1° | 24.7° |
| N24 | C19 | C18 | C60 | 146.2° | 157.1° |
| N24 | C19 | C18 | H91 | 118.1° | 112.5° |
| N24 | C19 | C18 | H18 | 93.5° | 86.8° |
| C20 | C1 | C2 | C19 | 128.1° | 143.5° |
| C1 | C20 | H201 | H202 | 120.0° | 122.0° |
| C1 | C20 | H201 | H203 | 120.0° | 120.5° |
| C1 | C20 | H202 | H203 | 120.0° | 120.6° |
| C20 | C1 | C2 | C25 | 33.0° | 38.9° |
| C20 | C1 | C2 | C26 | 159.1° | 160.8° |
| C20 | C1 | C2 | C3 | 87.9° | 84.5° |
| C20 | C1 | C19 | C18 | 35.9° | 60.8° |
| C20 | C1 | C19 | H91 | 160.1° | 174.2° |
| C2 | C1 | C20 | H201 | 64.6° | 79.0° |
| C2 | C1 | C20 | H202 | 55.4° | 160.0° |
| C2 | C1 | C20 | H203 | 175.4° | 40.6° |
| C1 | C2 | C25 | C26 | 124.5° | 125.3° |
| C1 | C2 | C25 | C3 | 112.4° | 116.8° |
| C1 | C2 | C26 | C3 | 107.8° | 113.0° |
| C1 | C2 | C25 | H251 | 180.0° | 177.1° |
| C1 | C2 | C25 | H252 | 60.0° | 62.6° |
| C1 | C2 | C25 | H253 | 60.0° | 57.3° |
| C1 | C2 | C26 | C27 | 162.6° | 177.1° |
| C1 | C2 | C26 | H261 | 77.1° | 59.3° |
| C1 | C2 | C26 | H262 | 42.3° | 55.3° |
| C1 | C2 | C3 | C30 | 97.0° | 105.4° |
| C1 | C2 | C3 | C4 | 28.2° | 25.6° |
| C1 | C2 | C3 | H3 | 142.0° | 132.6° |
| C2 | C1 | C19 | C18 | 93.2° | 85.5° |
| C2 | C1 | C19 | H91 | 31.0° | 39.5° |
| C19 | C1 | C20 | H201 | 66.1° | 68.9° |
| C19 | C1 | C20 | H202 | 173.8° | 52.2° |
| C19 | C1 | C20 | H203 | 53.9° | 171.5° |
| C19 | C1 | C2 | C25 | 95.2° | 104.6° |
| C19 | C1 | C2 | C26 | 31.0° | 17.2° |
| C19 | C1 | C2 | C3 | 144.0° | 132.0° |
| C1 | C19 | C18 | C17 | 139.1° | 147.0° |
| C1 | C19 | C18 | C60 | 95.7° | 80.5° |
| C1 | C19 | C18 | H91 | 123.9° | 125.1° |
| C1 | C19 | C18 | H18 | 24.6° | 35.5° |
| H201 | C20 | H202 | H203 | 120.0° | 117.8° |
| C25 | C2 | C26 | C3 | 126.4° | 123.1° |
| C2 | C25 | H251 | H252 | 120.0° | 120.6° |
| C2 | C25 | H251 | H253 | 120.0° | 121.0° |
| C2 | C25 | H252 | H253 | 120.0° | 120.9° |
| C25 | C2 | C26 | C27 | 71.7° | 53.3° |
| C25 | C2 | C26 | H261 | 48.6° | 176.9° |
| C25 | C2 | C26 | H262 | 168.1° | 68.6° |
| C25 | C2 | C3 | C30 | 22.6° | 15.8° |
| C25 | C2 | C3 | C4 | 147.8° | 146.9° |
| C25 | C2 | C3 | H3 | 98.4° | 106.2° |
| C26 | C2 | C25 | H251 | 55.5° | 57.6° |
| C26 | C2 | C25 | H252 | 175.6° | 62.8° |
| C26 | C2 | C25 | H253 | 64.5° | 177.4° |
| C2 | C26 | C27 | H261 | 120.3° | 124.0° |
| C2 | C26 | C27 | H262 | 120.3° | 122.6° |
| C2 | C26 | H261 | H262 | 119.2° | 115.7° |
| C2 | C26 | C27 | O28 | 88.4° | 84.9° |
| C2 | C26 | C27 | N29 | 91.6° | 97.9° |
| C26 | C2 | C3 | C30 | 148.4° | 134.6° |
| C26 | C2 | C3 | C4 | 86.4° | 94.4° |
| C26 | C2 | C3 | H3 | 27.4° | 12.5° |
| C3 | C2 | C25 | H251 | 67.6° | 60.3° |
| C3 | C2 | C25 | H252 | 52.4° | 179.3° |
| C3 | C2 | C25 | H253 | 172.4° | 59.5° |
| C3 | C2 | C26 | C27 | 54.8° | 69.9° |
| C3 | C2 | C26 | H261 | 175.1° | 53.7° |
| C3 | C2 | C26 | H262 | 65.5° | 168.3° |
| C2 | C3 | C30 | C4 | 120.2° | 126.2° |
| C2 | C3 | C30 | H3 | 121.2° | 122.6° |
| C2 | C3 | C4 | H3 | 113.5° | 110.5° |
| C2 | C3 | C30 | C31 | 92.9° | 86.1° |
| C2 | C3 | C30 | H301 | 147.0° | 152.0° |
| C2 | C3 | C30 | H302 | 27.1° | 39.0° |
| C2 | C3 | C4 | C5 | 165.0° | 163.5° |
| H251 | C25 | H252 | H253 | 120.0° | 118.2° |
| C27 | C26 | H261 | H262 | 119.1° | 113.5° |
| C26 | C27 | O28 | N29 | 179.9° | 177.1° |
| C26 | C27 | N29 | H291 | 179.9° | 179.5° |
| C26 | C27 | N29 | H292 | 0.0° | 0.6° |
| H261 | C26 | C27 | O28 | 151.3° | 39.1° |
| H261 | C26 | C27 | N29 | 28.7° | 138.1° |
| H262 | C26 | C27 | O28 | 31.9° | 152.5° |
| H262 | C26 | C27 | N29 | 148.1° | 24.6° |
| O28 | C27 | N29 | H291 | 0.0° | 2.4° |
| O28 | C27 | N29 | H292 | 180.0° | 177.7° |
| C27 | N29 | H291 | H292 | 180.0° | 180.0° |
| C30 | C3 | C4 | H3 | 118.2° | 113.3° |
| C3 | C30 | C31 | H301 | 120.1° | 122.0° |
| C3 | C30 | C31 | H302 | 120.1° | 125.6° |
| C3 | C30 | H301 | H302 | 119.8° | 114.8° |
| C3 | C30 | C31 | C32 | 157.8° | 171.4° |
| C3 | C30 | C31 | H311 | 36.8° | 67.8° |
| C3 | C30 | C31 | H312 | 81.2° | 50.1° |
| C30 | C3 | C4 | C5 | 66.6° | 60.3° |
| C4 | C3 | C30 | C31 | 146.9° | 40.1° |
| C4 | C3 | C30 | H301 | 26.8° | 81.9° |
| C4 | C3 | C30 | H302 | 93.1° | 165.1° |
| C3 | C4 | C5 | C35 | 0.1° | 31.5° |
| C3 | C4 | C5 | C6 | 179.8° | 143.4° |
| H3 | C3 | C30 | C31 | 28.3° | 151.3° |
| H3 | C3 | C30 | H301 | 91.8° | 29.4° |
| H3 | C3 | C30 | H302 | 148.3° | 83.6° |
| H3 | C3 | C4 | C5 | 51.5° | 53.0° |
| C31 | C30 | H301 | H302 | 119.8° | 113.4° |
| C30 | C31 | C32 | H311 | 121.0° | 121.1° |
| C30 | C31 | C32 | H312 | 120.9° | 121.6° |
| C30 | C31 | H311 | H312 | 116.9° | 118.6° |
| C30 | C31 | C32 | O34 | 179.6° | 92.0° |
| C30 | C31 | C32 | N33 | 0.1° | 88.0° |
| H301 | C30 | C31 | C32 | 82.1° | 49.4° |
| H301 | C30 | C31 | H311 | 156.9° | 170.2° |
| H301 | C30 | C31 | H312 | 38.9° | 71.8° |
| H302 | C30 | C31 | C32 | 37.7° | 63.0° |
| H302 | C30 | C31 | H311 | 83.3° | 57.8° |
| H302 | C30 | C31 | H312 | 158.7° | 175.7° |
| C32 | C31 | H311 | H312 | 116.9° | 117.7° |
| C31 | C32 | O34 | N33 | 179.7° | 180.0° |
| C31 | C32 | N33 | H331 | 179.7° | 179.9° |
| C31 | C32 | N33 | H332 | 0.3° | 0.2° |
| H311 | C31 | C32 | O34 | 59.4° | 146.9° |
| H311 | C31 | C32 | N33 | 120.9° | 33.1° |
| H312 | C31 | C32 | O34 | 58.6° | 29.6° |
| H312 | C31 | C32 | N33 | 121.0° | 150.4° |
| O34 | C32 | N33 | H331 | 0.0° | 0.1° |
| O34 | C32 | N33 | H332 | 180.0° | 179.8° |
| C32 | N33 | H331 | H332 | 180.0° | 179.9° |
| C4 | C5 | C35 | C6 | 180.0° | 174.9° |
| C4 | C5 | C35 | H351 | 180.0° | 39.0° |
| C4 | C5 | C35 | H352 | 60.0° | 81.0° |
| C4 | C5 | C35 | H353 | 60.0° | 158.7° |
| C4 | C5 | C6 | C7 | 179.6° | 156.1° |
| C5 | C35 | H351 | H352 | 120.0° | 119.9° |
| C5 | C35 | H351 | H353 | 120.0° | 120.5° |
| C5 | C35 | H352 | H353 | 120.0° | 120.8° |
| C35 | C5 | C6 | C7 | 0.5° | 18.7° |
| C6 | C5 | C35 | H351 | 0.1° | 146.1° |
| C6 | C5 | C35 | H352 | 120.0° | 94.0° |
| C6 | C5 | C35 | H353 | 120.0° | 26.4° |
| C5 | C6 | C7 | C36 | 61.9° | 32.8° |
| C5 | C6 | C7 | C37 | 65.4° | 93.8° |
| C5 | C6 | C7 | C8 | 175.8° | 153.4° |
| H351 | C35 | H352 | H353 | 120.0° | 119.2° |
| C6 | C7 | C36 | C37 | 125.3° | 128.7° |
| C6 | C7 | C36 | C8 | 116.3° | 113.4° |
| C6 | C7 | C37 | C8 | 108.8° | 109.2° |
| C6 | C7 | C36 | H361 | 180.0° | 81.5° |
| C6 | C7 | C36 | H362 | 60.0° | 38.3° |
| C6 | C7 | C36 | H363 | 60.0° | 158.8° |
| C6 | C7 | C37 | C38 | 166.8° | 56.7° |
| C6 | C7 | C37 | H371 | 46.9° | 179.5° |
| C6 | C7 | C37 | H372 | 73.2° | 65.5° |
| C6 | C7 | C8 | C41 | 115.3° | 87.8° |
| C6 | C7 | C8 | C9 | 0.0° | 31.5° |
| C6 | C7 | C8 | H8 | 120.5° | 145.0° |
| C36 | C7 | C37 | C8 | 123.2° | 121.8° |
| C7 | C36 | H361 | H362 | 120.0° | 120.4° |
| C7 | C36 | H361 | H363 | 120.0° | 120.5° |
| C7 | C36 | H362 | H363 | 120.0° | 120.8° |
| C36 | C7 | C37 | C38 | 38.8° | 72.3° |
| C36 | C7 | C37 | H371 | 81.1° | 50.6° |
| C36 | C7 | C37 | H372 | 158.8° | 165.6° |
| C36 | C7 | C8 | C41 | 7.8° | 33.9° |
| C36 | C7 | C8 | C9 | 123.2° | 153.2° |
| C36 | C7 | C8 | H8 | 116.4° | 93.3° |
| C37 | C7 | C36 | H361 | 54.7° | 47.2° |
| C37 | C7 | C36 | H362 | 174.7° | 167.0° |
| C37 | C7 | C36 | H363 | 65.3° | 72.5° |
| C7 | C37 | C38 | H371 | 120.0° | 123.2° |
| C7 | C37 | C38 | H372 | 119.9° | 123.2° |
| C7 | C37 | H371 | H372 | 120.1° | 116.5° |
| C7 | C37 | C38 | O39 | 66.8° | 90.2° |
| C7 | C37 | C38 | N40 | 112.8° | 89.7° |
| C37 | C7 | C8 | C41 | 131.0° | 153.8° |
| C37 | C7 | C8 | C9 | 113.7° | 86.9° |
| C37 | C7 | C8 | H8 | 6.7° | 26.6° |
| C8 | C7 | C36 | H361 | 63.7° | 165.1° |
| C8 | C7 | C36 | H362 | 56.3° | 75.1° |
| C8 | C7 | C36 | H363 | 176.3° | 45.4° |
| C8 | C7 | C37 | C38 | 84.3° | 165.9° |
| C8 | C7 | C37 | H371 | 155.7° | 71.2° |
| C8 | C7 | C37 | H372 | 35.6° | 43.7° |
| C7 | C8 | C41 | C9 | 112.2° | 113.3° |
| C7 | C8 | C41 | H8 | 124.2° | 128.1° |
| C7 | C8 | C9 | H8 | 119.9° | 114.8° |
| C7 | C8 | C41 | C42 | 80.3° | 171.6° |
| C7 | C8 | C41 | H411 | 40.1° | 49.9° |
| C7 | C8 | C41 | H412 | 159.3° | 65.5° |
| C7 | C8 | C9 | C10 | 175.4° | 150.5° |
| H361 | C36 | H362 | H363 | 120.0° | 118.6° |
| C38 | C37 | H371 | H372 | 120.1° | 113.7° |
| C37 | C38 | O39 | N40 | 179.6° | 179.9° |
| C37 | C38 | N40 | H401 | 179.6° | 179.9° |
| C37 | C38 | N40 | H402 | 0.4° | 0.3° |
| H371 | C37 | C38 | O39 | 173.2° | 146.6° |
| H371 | C37 | C38 | N40 | 7.2° | 33.5° |
| H372 | C37 | C38 | O39 | 53.2° | 33.0° |
| H372 | C37 | C38 | N40 | 127.2° | 147.1° |
| O39 | C38 | N40 | H401 | 0.0° | 0.2° |
| O39 | C38 | N40 | H402 | 180.0° | 179.6° |
| C38 | N40 | H401 | H402 | 180.0° | 179.8° |
| C41 | C8 | C9 | H8 | 123.1° | 118.6° |
| C8 | C41 | C42 | H411 | 120.4° | 122.7° |
| C8 | C41 | C42 | H412 | 120.4° | 123.0° |
| C8 | C41 | H411 | H412 | 118.8° | 116.1° |
| C8 | C41 | C42 | C43 | 166.5° | 61.3° |
| C8 | C41 | C42 | H421 | 73.0° | 177.4° |
| C8 | C41 | C42 | H422 | 46.1° | 61.3° |
| C41 | C8 | C9 | C10 | 67.5° | 82.9° |
| C9 | C8 | C41 | C42 | 31.9° | 75.2° |
| C9 | C8 | C41 | H411 | 152.2° | 163.1° |
| C9 | C8 | C41 | H412 | 88.5° | 47.7° |
| C8 | C9 | C10 | C11 | 180.0° | 172.1° |
| C8 | C9 | C10 | H10 | 0.0° | 11.0° |
| H8 | C8 | C41 | C42 | 155.4° | 43.5° |
| H8 | C8 | C41 | H411 | 84.2° | 78.2° |
| H8 | C8 | C41 | H412 | 35.0° | 166.4° |
| H8 | C8 | C9 | C10 | 55.5° | 35.7° |
| C42 | C41 | H411 | H412 | 118.8° | 114.9° |
| C41 | C42 | C43 | H421 | 120.5° | 121.3° |
| C41 | C42 | C43 | H422 | 120.5° | 122.5° |
| C41 | C42 | H421 | H422 | 118.6° | 116.9° |
| C41 | C42 | C43 | O44 | 121.2° | 74.2° |
| C41 | C42 | C43 | N45 | 59.4° | 105.9° |
| H411 | C41 | C42 | C43 | 46.1° | 61.4° |
| H411 | C41 | C42 | H421 | 166.6° | 59.9° |
| H411 | C41 | C42 | H422 | 74.3° | 176.0° |
| H412 | C41 | C42 | C43 | 73.1° | 175.7° |
| H412 | C41 | C42 | H421 | 47.4° | 54.4° |
| H412 | C41 | C42 | H422 | 166.5° | 61.7° |
| C43 | C42 | H421 | H422 | 118.6° | 117.1° |
| C42 | C43 | O44 | N45 | 179.4° | 179.9° |
| C42 | C43 | N45 | H451 | 179.4° | 179.8° |
| C42 | C43 | N45 | H452 | 0.6° | 0.4° |
| H421 | C42 | C43 | O44 | 118.4° | 47.1° |
| H421 | C42 | C43 | N45 | 61.0° | 132.8° |
| H422 | C42 | C43 | O44 | 0.7° | 163.3° |
| H422 | C42 | C43 | N45 | 179.9° | 16.6° |
| O44 | C43 | N45 | H451 | 0.0° | 0.4° |
| O44 | C43 | N45 | H452 | 180.0° | 179.5° |
| C43 | N45 | H451 | H452 | 180.0° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 176.9° |
| C9 | C10 | C11 | C12 | 179.3° | 179.9° |
| C10 | C11 | C12 | C46 | 92.0° | 39.3° |
| C10 | C11 | C12 | C47 | 28.4° | 81.4° |
| C10 | C11 | C12 | C13 | 154.6° | 162.2° |
| H10 | C10 | C11 | C12 | 0.7° | 3.1° |
| C11 | C12 | C46 | C47 | 123.8° | 121.1° |
| C11 | C12 | C46 | C13 | 107.3° | 112.8° |
| C11 | C12 | C47 | C13 | 117.4° | 107.7° |
| C11 | C12 | C46 | H461 | 180.0° | 71.4° |
| C11 | C12 | C46 | H462 | 60.0° | 48.2° |
| C11 | C12 | C46 | H463 | 60.0° | 168.3° |
| C11 | C12 | C47 | H471 | 180.0° | 172.8° |
| C11 | C12 | C47 | H472 | 60.0° | 52.7° |
| C11 | C12 | C47 | H473 | 60.0° | 66.9° |
| C11 | C12 | C13 | C48 | 86.9° | 94.4° |
| C11 | C12 | C13 | C14 | 27.7° | 27.8° |
| C11 | C12 | C13 | H13 | 146.4° | 140.7° |
| C46 | C12 | C47 | C13 | 124.7° | 128.5° |
| C12 | C46 | H461 | H462 | 120.0° | 120.1° |
| C12 | C46 | H461 | H463 | 120.0° | 120.6° |
| C12 | C46 | H462 | H463 | 120.0° | 120.4° |
| C46 | C12 | C47 | H471 | 62.1° | 63.4° |
| C46 | C12 | C47 | H472 | 177.9° | 176.5° |
| C46 | C12 | C47 | H473 | 57.9° | 56.9° |
| C46 | C12 | C13 | C48 | 162.9° | 26.7° |
| C46 | C12 | C13 | C14 | 82.6° | 148.9° |
| C46 | C12 | C13 | H13 | 36.1° | 98.1° |
| C47 | C12 | C46 | H461 | 56.2° | 49.7° |
| C47 | C12 | C46 | H462 | 63.8° | 169.3° |
| C47 | C12 | C46 | H463 | 176.2° | 70.6° |
| C12 | C47 | H471 | H472 | 120.0° | 120.6° |
| C12 | C47 | H471 | H473 | 120.0° | 120.5° |
| C12 | C47 | H472 | H473 | 120.0° | 120.2° |
| C47 | C12 | C13 | C48 | 38.0° | 151.2° |
| C47 | C12 | C13 | C14 | 152.6° | 86.6° |
| C47 | C12 | C13 | H13 | 88.7° | 26.3° |
| C13 | C12 | C46 | H461 | 72.7° | 175.8° |
| C13 | C12 | C46 | H462 | 167.3° | 64.6° |
| C13 | C12 | C46 | H463 | 47.3° | 55.5° |
| C13 | C12 | C47 | H471 | 62.6° | 65.1° |
| C13 | C12 | C47 | H472 | 57.4° | 55.0° |
| C13 | C12 | C47 | H473 | 177.4° | 174.6° |
| C12 | C13 | C48 | C14 | 110.2° | 119.3° |
| C12 | C13 | C48 | H13 | 127.0° | 125.5° |
| C12 | C13 | C14 | H13 | 118.2° | 113.1° |
| C12 | C13 | C48 | C49 | 85.0° | 60.8° |
| C12 | C13 | C48 | H481 | 154.9° | 176.8° |
| C12 | C13 | C48 | H482 | 35.1° | 63.0° |
| C12 | C13 | C14 | C15 | 154.6° | 156.3° |
| H461 | C46 | H462 | H463 | 120.0° | 119.3° |
| H471 | C47 | H472 | H473 | 120.0° | 119.2° |
| C48 | C13 | C14 | H13 | 122.1° | 114.4° |
| C13 | C48 | C49 | H481 | 120.1° | 122.4° |
| C13 | C48 | C49 | H482 | 120.1° | 123.9° |
| C13 | C48 | H481 | H482 | 119.8° | 114.8° |
| C13 | C48 | C49 | C50 | 166.8° | 164.7° |
| C13 | C48 | C49 | H491 | 73.1° | 43.3° |
| C13 | C48 | C49 | H492 | 46.6° | 74.1° |
| C48 | C13 | C14 | C15 | 85.8° | 71.1° |
| C14 | C13 | C48 | C49 | 164.8° | 58.5° |
| C14 | C13 | C48 | H481 | 44.7° | 63.9° |
| C14 | C13 | C48 | H482 | 75.1° | 177.7° |
| C13 | C14 | C15 | C53 | 0.3° | 32.3° |
| C13 | C14 | C15 | C16 | 179.1° | 142.7° |
| H13 | C13 | C48 | C49 | 42.0° | 173.7° |
| H13 | C13 | C48 | H481 | 78.1° | 51.3° |
| H13 | C13 | C48 | H482 | 162.1° | 62.4° |
| H13 | C13 | C14 | C15 | 36.4° | 43.3° |
| C49 | C48 | H481 | H482 | 119.8° | 114.6° |
| C48 | C49 | C50 | H491 | 120.1° | 121.5° |
| C48 | C49 | C50 | H492 | 120.1° | 121.2° |
| C48 | C49 | H491 | H492 | 119.6° | 118.0° |
| C48 | C49 | C50 | O51 | 38.6° | 91.5° |
| C48 | C49 | C50 | N52 | 140.7° | 88.2° |
| H481 | C48 | C49 | C50 | 46.7° | 72.9° |
| H481 | C48 | C49 | H491 | 166.8° | 165.7° |
| H481 | C48 | C49 | H492 | 73.4° | 48.3° |
| H482 | C48 | C49 | C50 | 73.1° | 40.8° |
| H482 | C48 | C49 | H491 | 47.0° | 80.6° |
| H482 | C48 | C49 | H492 | 166.7° | 162.0° |
| C50 | C49 | H491 | H492 | 119.6° | 117.8° |
| C49 | C50 | O51 | N52 | 179.3° | 179.7° |
| C49 | C50 | N52 | H521 | 179.3° | 180.0° |
| C49 | C50 | N52 | H522 | 0.8° | 0.0° |
| H491 | C49 | C50 | O51 | 158.8° | 147.0° |
| H491 | C49 | C50 | N52 | 20.5° | 33.3° |
| H492 | C49 | C50 | O51 | 81.5° | 29.7° |
| H492 | C49 | C50 | N52 | 99.2° | 150.5° |
| O51 | C50 | N52 | H521 | 0.0° | 0.3° |
| O51 | C50 | N52 | H522 | 180.0° | 179.7° |
| C50 | N52 | H521 | H522 | 180.0° | 180.0° |
| C14 | C15 | C53 | C16 | 179.4° | 175.2° |
| C14 | C15 | C53 | H531 | 180.0° | 27.0° |
| C14 | C15 | C53 | H532 | 60.0° | 93.3° |
| C14 | C15 | C53 | H533 | 60.0° | 146.6° |
| C14 | C15 | C16 | C17 | 178.9° | 156.6° |
| C15 | C53 | H531 | H532 | 120.0° | 120.3° |
| C15 | C53 | H531 | H533 | 120.0° | 120.5° |
| C15 | C53 | H532 | H533 | 120.0° | 120.5° |
| C53 | C15 | C16 | C17 | 1.7° | 18.3° |
| C16 | C15 | C53 | H531 | 0.6° | 157.8° |
| C16 | C15 | C53 | H532 | 119.4° | 81.9° |
| C16 | C15 | C53 | H533 | 120.6° | 38.2° |
| C15 | C16 | C17 | C54 | 81.9° | 78.4° |
| C15 | C16 | C17 | C55 | 29.7° | 42.9° |
| C15 | C16 | C17 | C18 | 168.3° | 162.9° |
| H531 | C53 | H532 | H533 | 120.0° | 118.7° |
| C16 | C17 | C54 | C55 | 125.8° | 125.1° |
| C16 | C17 | C54 | C18 | 106.4° | 112.7° |
| C16 | C17 | C55 | C18 | 134.0° | 115.9° |
| C16 | C17 | C54 | H541 | 180.0° | 57.2° |
| C16 | C17 | C54 | H542 | 60.0° | 176.6° |
| C16 | C17 | C54 | H543 | 60.0° | 62.8° |
| C16 | C17 | C55 | C56 | 67.4° | 43.3° |
| C16 | C17 | C55 | H551 | 53.4° | 166.1° |
| C16 | C17 | C55 | H552 | 171.9° | 79.0° |
| C16 | C17 | C18 | C60 | 143.4° | 158.1° |
| C16 | C17 | C18 | C19 | 20.5° | 24.4° |
| C16 | C17 | C18 | H18 | 94.2° | 84.3° |
| C54 | C17 | C55 | C18 | 122.5° | 123.3° |
| C17 | C54 | H541 | H542 | 120.0° | 120.7° |
| C17 | C54 | H541 | H543 | 120.0° | 120.6° |
| C17 | C54 | H542 | H543 | 120.0° | 121.1° |
| C54 | C17 | C55 | C56 | 170.8° | 164.1° |
| C54 | C17 | C55 | H551 | 50.1° | 73.1° |
| C54 | C17 | C55 | H552 | 68.4° | 41.7° |
| C54 | C17 | C18 | C60 | 46.7° | 42.6° |
| C54 | C17 | C18 | C19 | 76.1° | 91.2° |
| C54 | C17 | C18 | H18 | 169.1° | 160.2° |
| C55 | C17 | C54 | H541 | 54.2° | 67.9° |
| C55 | C17 | C54 | H542 | 65.8° | 51.5° |
| C55 | C17 | C54 | H543 | 174.2° | 172.1° |
| C17 | C55 | C56 | H551 | 120.7° | 123.3° |
| C17 | C55 | C56 | H552 | 120.7° | 123.0° |
| C17 | C55 | H551 | H552 | 117.8° | 116.2° |
| C17 | C55 | C56 | C57 | 155.4° | 175.7° |
| C17 | C55 | C56 | H561 | 85.3° | 63.5° |
| C17 | C55 | C56 | H562 | 36.0° | 54.1° |
| C55 | C17 | C18 | C60 | 75.0° | 78.7° |
| C55 | C17 | C18 | C19 | 162.1° | 147.5° |
| C55 | C17 | C18 | H18 | 47.4° | 38.9° |
| C18 | C17 | C54 | H541 | 73.6° | 169.9° |
| C18 | C17 | C54 | H542 | 166.4° | 70.7° |
| C18 | C17 | C54 | H543 | 46.4° | 49.9° |
| C18 | C17 | C55 | C56 | 66.7° | 72.6° |
| C18 | C17 | C55 | H551 | 172.6° | 50.2° |
| C18 | C17 | C55 | H552 | 54.1° | 165.1° |
| C17 | C18 | C60 | C19 | 116.9° | 126.6° |
| C17 | C18 | C60 | H18 | 122.6° | 118.5° |
| C17 | C18 | C19 | H18 | 114.6° | 111.5° |
| C17 | C18 | C60 | C61 | 70.9° | 138.5° |
| C17 | C18 | C60 | H601 | 49.5° | 97.6° |
| C17 | C18 | C60 | H602 | 168.6° | 17.3° |
| C17 | C18 | C19 | H91 | 97.0° | 87.9° |
| H541 | C54 | H542 | H543 | 120.0° | 118.4° |
| C56 | C55 | H551 | H552 | 117.8° | 114.1° |
| C55 | C56 | C57 | H561 | 119.3° | 121.0° |
| C55 | C56 | C57 | H562 | 119.4° | 122.0° |
| C55 | C56 | H561 | H562 | 121.8° | 119.0° |
| C55 | C56 | C57 | O58 | 101.4° | 85.7° |
| C55 | C56 | C57 | N59 | 78.1° | 94.4° |
| H551 | C55 | C56 | C57 | 34.7° | 52.4° |
| H551 | C55 | C56 | H561 | 154.0° | 173.2° |
| H551 | C55 | C56 | H562 | 84.7° | 69.3° |
| H552 | C55 | C56 | C57 | 83.9° | 61.2° |
| H552 | C55 | C56 | H561 | 35.4° | 59.6° |
| H552 | C55 | C56 | H562 | 156.7° | 177.1° |
| C57 | C56 | H561 | H562 | 121.9° | 118.1° |
| C56 | C57 | O58 | N59 | 179.4° | 179.9° |
| C56 | C57 | N59 | C1P | 176.7° | 179.8° |
| C56 | C57 | N59 | H59 | 3.3° | 0.5° |
| H561 | C56 | C57 | O58 | 139.3° | 35.3° |
| H561 | C56 | C57 | N59 | 41.3° | 144.6° |
| H562 | C56 | C57 | O58 | 18.0° | 152.3° |
| H562 | C56 | C57 | N59 | 162.6° | 27.6° |
| O58 | C57 | N59 | C1P | 3.8° | 0.1° |
| O58 | C57 | N59 | H59 | 176.1° | 179.6° |
| C57 | N59 | C1P | H59 | 180.0° | 179.7° |
| C57 | N59 | C1P | C2P | 85.2° | 176.3° |
| C57 | N59 | C1P | H1P1 | 34.8° | 54.0° |
| C57 | N59 | C1P | H1P2 | 154.8° | 61.8° |
| N59 | C1P | C2P | H1P1 | 120.0° | 121.9° |
| N59 | C1P | C2P | H1P2 | 120.0° | 121.7° |
| N59 | C1P | H1P1 | H1P2 | 120.0° | 116.1° |
| N59 | C1P | C2P | C3P | 164.1° | 173.1° |
| N59 | C1P | C2P | O3 | 47.2° | 51.7° |
| N59 | C1P | C2P | H2P | 73.2° | 66.2° |
| H59 | N59 | C1P | C2P | 94.8° | 3.5° |
| H59 | N59 | C1P | H1P1 | 145.1° | 125.8° |
| H59 | N59 | C1P | H1P2 | 25.2° | 118.5° |
| C60 | C18 | C19 | H18 | 120.3° | 116.0° |
| C18 | C60 | C61 | H601 | 120.4° | 124.1° |
| C18 | C60 | C61 | H602 | 120.4° | 122.5° |
| C18 | C60 | H601 | H602 | 118.8° | 116.4° |
| C18 | C60 | C61 | O63 | 48.5° | 127.1° |
| C18 | C60 | C61 | N62 | 131.6° | 57.1° |
| C60 | C18 | C19 | H91 | 28.2° | 44.6° |
| C19 | C18 | C60 | C61 | 172.2° | 94.9° |
| C19 | C18 | C60 | H601 | 67.4° | 29.1° |
| C19 | C18 | C60 | H602 | 51.8° | 143.9° |
| H18 | C18 | C60 | C61 | 51.6° | 20.0° |
| H18 | C18 | C60 | H601 | 172.0° | 143.9° |
| H18 | C18 | C60 | H602 | 68.8° | 101.2° |
| H18 | C18 | C19 | H91 | 148.4° | 160.7° |
| C61 | C60 | H601 | H602 | 118.7° | 113.2° |
| C60 | C61 | O63 | N62 | 179.9° | 175.6° |
| C60 | C61 | N62 | H621 | 179.9° | 177.4° |
| C60 | C61 | N62 | H622 | 0.1° | 4.8° |
| H601 | C60 | C61 | O63 | 168.9° | 3.0° |
| H601 | C60 | C61 | N62 | 11.2° | 178.8° |
| H602 | C60 | C61 | O63 | 72.0° | 110.4° |
| H602 | C60 | C61 | N62 | 108.0° | 65.3° |
| O63 | C61 | N62 | H621 | 0.0° | 6.9° |
| O63 | C61 | N62 | H622 | 180.0° | 170.9° |
| C61 | N62 | H621 | H622 | 180.0° | 177.8° |
| C2P | C1P | H1P1 | H1P2 | 120.0° | 116.9° |
| C1P | C2P | C3P | O3 | 116.4° | 120.8° |
| C1P | C2P | C3P | H2P | 122.8° | 119.2° |
| C1P | C2P | O3 | H2P | 119.7° | 115.9° |
| C1P | C2P | C3P | H3P1 | 180.0° | 179.7° |
| C1P | C2P | C3P | H3P2 | 60.0° | 59.8° |
| C1P | C2P | C3P | H3P3 | 60.0° | 60.4° |
| C1P | C2P | O3 | P | 133.2° | 146.1° |
| H1P1 | C1P | C2P | C3P | 75.9° | 51.2° |
| H1P1 | C1P | C2P | O3 | 167.2° | 70.2° |
| H1P1 | C1P | C2P | H2P | 46.8° | 171.8° |
| H1P2 | C1P | C2P | C3P | 44.1° | 65.2° |
| H1P2 | C1P | C2P | O3 | 72.8° | 173.4° |
| H1P2 | C1P | C2P | H2P | 166.8° | 55.5° |
| C3P | C2P | O3 | H2P | 120.1° | 119.6° |
| C2P | C3P | H3P1 | H3P2 | 120.0° | 120.1° |
| C2P | C3P | H3P1 | H3P3 | 120.0° | 120.0° |
| C2P | C3P | H3P2 | H3P3 | 120.0° | 120.3° |
| C3P | C2P | O3 | P | 106.6° | 89.4° |
| O3 | C2P | C3P | H3P1 | 63.6° | 58.9° |
| O3 | C2P | C3P | H3P2 | 176.4° | 61.0° |
| O3 | C2P | C3P | H3P3 | 56.4° | 178.8° |
| C2P | O3 | P | O4 | 24.5° | 78.3° |
| C2P | O3 | P | O5 | 157.3° | 53.1° |
| C2P | O3 | P | O2 | 92.5° | 166.0° |
| H2P | C2P | C3P | H3P1 | 57.2° | 61.0° |
| H2P | C2P | C3P | H3P2 | 62.8° | 179.1° |
| H2P | C2P | C3P | H3P3 | 177.2° | 58.8° |
| H2P | C2P | O3 | P | 13.5° | 30.2° |
| H3P1 | C3P | H3P2 | H3P3 | 120.0° | 119.8° |
| O3 | P | O4 | O5 | 125.1° | 127.2° |
| O3 | P | O4 | O2 | 111.9° | 109.5° |
| O3 | P | O5 | O2 | 107.8° | 108.5° |
| O3 | P | O5 | HOP5 | 127.1° | 11.6° |
| O3 | P | O2 | C3R | 66.2° | 62.6° |
| O4 | P | O5 | O2 | 125.1° | 124.6° |
| O4 | P | O5 | HOP5 | 0.0° | 138.5° |
| O4 | P | O2 | C3R | 176.3° | 52.9° |
| O5 | P | O2 | C3R | 44.7° | 177.8° |
| HOP5 | O5 | P | O2 | 125.1° | 96.9° |
| P | O2 | C3R | C2R | 88.8° | 107.5° |
| P | O2 | C3R | C4R | 154.5° | 137.3° |
| P | O2 | C3R | H3R | 38.0° | 14.9° |
| O2 | C3R | C2R | C4R | 117.0° | 117.2° |
| O2 | C3R | C2R | H3R | 127.6° | 123.2° |
| O2 | C3R | C4R | H3R | 118.1° | 121.9° |
| O2 | C3R | C2R | O7R | 29.5° | 11.5° |
| O2 | C3R | C2R | C1R | 93.0° | 134.3° |
| O2 | C3R | C2R | H2R | 153.1° | 109.5° |
| O2 | C3R | C4R | O6R | 122.4° | 146.6° |
| O2 | C3R | C4R | C5R | 117.0° | 93.1° |
| O2 | C3R | C4R | H4R | 4.8° | 30.2° |
| C2R | C3R | C4R | H3R | 115.8° | 118.0° |
| C3R | C2R | O7R | C1R | 116.8° | 117.5° |
| C3R | C2R | O7R | H2R | 122.8° | 119.7° |
| C3R | C2R | C1R | H2R | 114.3° | 115.3° |
| C3R | C2R | O7R | HOR7 | 180.0° | 165.0° |
| C3R | C2R | C1R | O6R | 37.5° | 1.5° |
| C3R | C2R | C1R | N1B | 77.1° | 123.6° |
| C3R | C2R | C1R | H1R | 157.0° | 114.9° |
| C2R | C3R | C4R | O6R | 3.7° | 26.6° |
| C2R | C3R | C4R | C5R | 116.9° | 146.9° |
| C2R | C3R | C4R | H4R | 121.2° | 89.8° |
| C4R | C3R | C2R | O7R | 146.5° | 105.7° |
| C4R | C3R | C2R | C1R | 24.1° | 17.1° |
| C4R | C3R | C2R | H2R | 89.8° | 133.3° |
| C3R | C4R | O6R | C1R | 21.6° | 26.9° |
| C3R | C4R | O6R | C5R | 122.8° | 125.5° |
| C3R | C4R | O6R | H4R | 116.4° | 116.6° |
| C3R | C4R | C5R | H4R | 121.5° | 123.6° |
| C3R | C4R | C5R | O8R | 52.4° | 73.1° |
| C3R | C4R | C5R | H5R1 | 172.1° | 166.2° |
| C3R | C4R | C5R | H5R2 | 67.3° | 48.7° |
| H3R | C3R | C2R | O7R | 98.1° | 134.7° |
| H3R | C3R | C2R | C1R | 139.5° | 102.5° |
| H3R | C3R | C2R | H2R | 25.6° | 13.7° |
| H3R | C3R | C4R | O6R | 119.5° | 91.4° |
| H3R | C3R | C4R | C5R | 1.1° | 28.8° |
| H3R | C3R | C4R | H4R | 122.9° | 152.1° |
| O7R | C2R | C1R | H2R | 121.5° | 123.3° |
| O7R | C2R | C1R | O6R | 161.7° | 119.8° |
| O7R | C2R | C1R | N1B | 47.1° | 2.3° |
| O7R | C2R | C1R | H1R | 78.8° | 123.8° |
| C1R | C2R | O7R | HOR7 | 63.2° | 77.5° |
| C2R | C1R | O6R | N1B | 121.6° | 125.2° |
| C2R | C1R | O6R | H1R | 117.9° | 117.0° |
| C2R | C1R | N1B | H1R | 125.3° | 121.5° |
| C2R | C1R | O6R | C4R | 37.4° | 16.1° |
| C2R | C1R | N1B | C8B | 177.6° | 81.7° |
| C2R | C1R | N1B | C2B | 2.4° | 97.4° |
| H2R | C2R | O7R | HOR7 | 57.2° | 45.3° |
| H2R | C2R | C1R | O6R | 76.8° | 116.8° |
| H2R | C2R | C1R | N1B | 168.7° | 121.1° |
| H2R | C2R | C1R | H1R | 42.7° | 0.4° |
| O6R | C1R | N1B | H1R | 121.3° | 117.3° |
| C1R | O6R | C4R | C5R | 144.4° | 152.4° |
| C1R | O6R | C4R | H4R | 94.8° | 89.6° |
| O6R | C1R | N1B | C8B | 64.1° | 157.1° |
| O6R | C1R | N1B | C2B | 115.8° | 23.8° |
| N1B | C1R | O6R | C4R | 84.2° | 109.1° |
| C1R | N1B | C8B | C2B | 180.0° | 179.3° |
| C1R | N1B | C8B | C9B | 180.0° | 179.4° |
| C1R | N1B | C8B | C7B | 0.6° | 0.4° |
| C1R | N1B | C2B | N3B | 179.6° | 179.6° |
| C1R | N1B | C2B | H2B | 0.4° | 0.7° |
| H1R | C1R | O6R | C4R | 155.3° | 133.0° |
| H1R | C1R | N1B | C8B | 57.1° | 39.8° |
| H1R | C1R | N1B | C2B | 122.9° | 141.0° |
| O6R | C4R | C5R | H4R | 121.4° | 118.1° |
| O6R | C4R | C5R | O8R | 64.7° | 168.6° |
| O6R | C4R | C5R | H5R1 | 55.0° | 47.9° |
| O6R | C4R | C5R | H5R2 | 175.5° | 69.6° |
| C4R | C5R | O8R | H5R1 | 119.7° | 120.6° |
| C4R | C5R | O8R | H5R2 | 119.7° | 122.1° |
| C4R | C5R | H5R1 | H5R2 | 120.9° | 119.1° |
| C4R | C5R | O8R | HOR8 | 180.0° | 179.9° |
| H4R | C4R | C5R | O8R | 173.8° | 50.5° |
| H4R | C4R | C5R | H5R1 | 66.4° | 70.2° |
| H4R | C4R | C5R | H5R2 | 54.1° | 172.2° |
| O8R | C5R | H5R1 | H5R2 | 120.8° | 118.5° |
| H5R1 | C5R | O8R | HOR8 | 60.2° | 59.3° |
| H5R2 | C5R | O8R | HOR8 | 60.3° | 58.1° |
| N1B | C8B | C9B | C7B | 179.5° | 179.9° |
| C8B | N1B | C2B | N3B | 0.4° | 0.3° |
| C8B | N1B | C2B | H2B | 179.6° | 180.0° |
| N1B | C8B | C9B | N3B | 0.3° | 0.1° |
| N1B | C8B | C9B | C4B | 179.6° | 180.0° |
| N1B | C8B | C7B | C6B | 179.5° | 179.9° |
| N1B | C8B | C7B | H7B | 0.5° | 0.1° |
| C2B | N1B | C8B | C9B | 0.1° | 0.1° |
| C2B | N1B | C8B | C7B | 179.4° | 179.7° |
| N1B | C2B | N3B | H2B | 180.0° | 179.7° |
| N1B | C2B | N3B | C9B | 0.5° | 0.3° |
| C8B | C9B | N3B | C2B | 0.5° | 0.2° |
| C8B | C9B | N3B | C4B | 179.8° | 179.9° |
| C8B | C9B | C4B | C5B | 0.1° | 0.0° |
| C8B | C9B | C4B | H4B | 179.9° | 180.0° |
| C9B | C8B | C7B | C6B | 0.1° | 0.1° |
| C9B | C8B | C7B | H7B | 179.9° | 179.9° |
| C7B | C8B | C9B | N3B | 179.7° | 179.9° |
| C7B | C8B | C9B | C4B | 0.1° | 0.1° |
| C8B | C7B | C6B | C5B | 0.1° | 0.2° |
| C8B | C7B | C6B | C6M | 179.8° | 179.9° |
| C8B | C7B | C6B | H7B | 180.0° | 180.0° |
| C2B | N3B | C9B | C4B | 179.3° | 179.8° |
| H2B | C2B | N3B | C9B | 179.5° | 180.0° |
| N3B | C9B | C4B | C5B | 179.7° | 179.9° |
| N3B | C9B | C4B | H4B | 0.3° | 0.1° |
| C9B | C4B | C5B | H4B | 180.0° | 180.0° |
| C9B | C4B | C5B | C5M | 179.6° | 179.7° |
| C9B | C4B | C5B | C6B | 0.1° | 0.3° |
| C4B | C5B | C5M | C6B | 179.5° | 179.4° |
| C4B | C5B | C5M | HM51 | 90.2° | 123.3° |
| C4B | C5B | C5M | HM52 | 149.8° | 3.6° |
| C4B | C5B | C5M | HM53 | 29.7° | 116.1° |
| C4B | C5B | C6B | C6M | 179.8° | 179.9° |
| C4B | C5B | C6B | C7B | 0.1° | 0.4° |
| H4B | C4B | C5B | C5M | 0.5° | 0.3° |
| H4B | C4B | C5B | C6B | 179.9° | 179.7° |
| C5B | C5M | HM51 | HM52 | 120.0° | 120.7° |
| C5B | C5M | HM51 | HM53 | 120.0° | 120.7° |
| C5B | C5M | HM52 | HM53 | 120.0° | 120.3° |
| C5M | C5B | C6B | C6M | 0.3° | 0.5° |
| C5M | C5B | C6B | C7B | 179.6° | 179.8° |
| C6B | C5B | C5M | HM51 | 90.2° | 57.3° |
| C6B | C5B | C5M | HM52 | 29.8° | 177.0° |
| C6B | C5B | C5M | HM53 | 149.8° | 63.3° |
| C5B | C6B | C6M | C7B | 179.9° | 179.7° |
| C5B | C6B | C6M | HM61 | 90.0° | 176.2° |
| C5B | C6B | C6M | HM62 | 150.0° | 56.7° |
| C5B | C6B | C6M | HM63 | 29.9° | 64.0° |
| C5B | C6B | C7B | H7B | 179.9° | 179.8° |
| HM51 | C5M | HM52 | HM53 | 119.9° | 119.1° |
| C6B | C6M | HM61 | HM62 | 120.0° | 120.4° |
| C6B | C6M | HM61 | HM63 | 120.0° | 120.5° |
| C6B | C6M | HM62 | HM63 | 120.0° | 120.9° |
| C6M | C6B | C7B | H7B | 0.2° | 0.0° |
| C7B | C6B | C6M | HM61 | 90.1° | 3.6° |
| C7B | C6B | C6M | HM62 | 29.9° | 123.0° |
| C7B | C6B | C6M | HM63 | 150.0° | 116.2° |
| HM61 | C6M | HM62 | HM63 | 120.0° | 118.6° |
