HCB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CO | N21 | sing | 1.80Å | 1.92Å | |
| CO | N22 | sing | 1.75Å | 1.92Å | |
| CO | N23 | sing | 1.82Å | 1.93Å | |
| CO | N24 | sing | 1.74Å | 1.90Å | |
| N21 | C1 | sing | 1.43Å | 1.49Å | |
| N21 | C4 | doub | 1.30Å | 1.32Å | |
| N22 | C6 | sing | 1.35Å | 1.43Å | |
| N22 | C9 | doub | 1.32Å | 1.32Å | |
| N23 | C11 | sing | 1.32Å | 1.34Å | |
| N23 | C14 | doub | 1.33Å | 1.41Å | |
| N24 | C16 | sing | 1.37Å | 1.34Å | |
| N24 | C19 | sing | 1.49Å | 1.47Å | |
| C1 | C20 | sing | 1.53Å | 1.56Å | |
| C1 | C2 | sing | 1.49Å | 1.61Å | |
| C1 | C19 | sing | 1.44Å | 1.51Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C2 | C25 | sing | 1.53Å | 1.56Å | |
| C2 | C26 | sing | 1.53Å | 1.57Å | |
| C2 | C3 | sing | 1.56Å | 1.56Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O28 | doub | 1.21Å | 1.24Å | |
| C27 | N29 | sing | 1.35Å | 1.30Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| N29 | H292 | sing | 0.97Å | 1.00Å | |
| C3 | C30 | sing | 1.53Å | 1.57Å | |
| C3 | C4 | sing | 1.50Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.48Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | O34 | doub | 1.21Å | 1.22Å | |
| C32 | N33 | sing | 1.35Å | 1.28Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N33 | H332 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C5 | C35 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.57Å | |
| C7 | C36 | sing | 1.53Å | 1.55Å | |
| C7 | C37 | sing | 1.53Å | 1.59Å | |
| C7 | C8 | sing | 1.56Å | 1.54Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | O39 | doub | 1.21Å | 1.24Å | |
| C38 | N40 | sing | 1.35Å | 1.32Å | |
| N40 | H401 | sing | 0.97Å | 1.00Å | |
| N40 | H402 | sing | 0.97Å | 1.00Å | |
| C8 | C41 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | O44 | doub | 1.21Å | 1.21Å | |
| C43 | N45 | sing | 1.35Å | 1.28Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å | |
| N45 | H452 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | |
| C10 | C11 | doub | 1.39Å | 1.37Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C46 | sing | 1.53Å | 1.53Å | |
| C12 | C47 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.56Å | 1.54Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C13 | C48 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.51Å | 1.50Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | O51 | doub | 1.21Å | 1.20Å | |
| C50 | N52 | sing | 1.35Å | 1.30Å | |
| N52 | H521 | sing | 0.97Å | 1.00Å | |
| N52 | H522 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.42Å | 1.41Å | |
| C15 | C53 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.37Å | 1.48Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.48Å | 1.57Å | |
| C17 | C54 | sing | 1.53Å | 1.56Å | |
| C17 | C55 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.57Å | 1.58Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.51Å | 1.51Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C57 | O58 | doub | 1.21Å | 1.22Å | |
| C57 | N59 | sing | 1.35Å | 1.32Å | |
| N59 | C1P | sing | 1.47Å | 1.45Å | |
| N59 | H59 | sing | 0.97Å | 1.00Å | |
| C18 | C60 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.52Å | 1.49Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.51Å | 1.46Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C61 | O63 | doub | 1.21Å | 1.22Å | |
| C61 | N62 | sing | 1.35Å | 1.30Å | |
| N62 | H621 | sing | 0.97Å | 1.00Å | |
| N62 | H622 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C1P | C2P | sing | 1.53Å | 1.51Å | |
| C1P | H1P1 | sing | 1.09Å | 1.10Å | |
| C1P | H1P2 | sing | 1.09Å | 1.10Å | |
| C2P | C3P | sing | 1.53Å | 1.50Å | |
| C2P | O3 | sing | 1.43Å | 1.43Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C3P | H3P1 | sing | 1.09Å | 1.10Å | |
| C3P | H3P2 | sing | 1.09Å | 1.10Å | |
| C3P | H3P3 | sing | 1.09Å | 1.10Å | |
| O3 | P | sing | 1.61Å | 1.57Å | |
| O4 | P | sing | 1.55Å | 1.47Å | |
| O5 | P | doub | 1.55Å | 1.47Å | |
| P | O2 | sing | 1.61Å | 1.58Å | |
| O2 | C3R | sing | 1.43Å | 1.41Å | |
| C3R | C2R | sing | 1.55Å | 1.51Å | |
| C3R | C4R | sing | 1.54Å | 1.51Å | |
| C3R | H3R | sing | 1.09Å | 1.10Å | |
| C2R | O7R | sing | 1.43Å | 1.36Å | |
| C2R | C1R | sing | 1.55Å | 1.52Å | |
| C2R | H2R | sing | 1.09Å | 1.10Å | |
| O7R | H7R | sing | 0.97Å | 0.95Å | |
| C1R | O6R | sing | 1.44Å | 1.41Å | |
| C1R | N1B | sing | 1.46Å | 1.50Å | |
| C1R | H1R | sing | 1.09Å | 1.10Å | |
| O6R | C4R | sing | 1.45Å | 1.44Å | |
| C4R | C5R | sing | 1.53Å | 1.50Å | |
| C4R | H4R | sing | 1.09Å | 1.10Å | |
| C5R | O8R | sing | 1.43Å | 1.44Å | |
| C5R | H5R1 | sing | 1.09Å | 1.10Å | |
| C5R | H5R2 | sing | 1.09Å | 1.10Å | |
| O8R | H8R | sing | 0.97Å | 0.95Å | |
| N1B | C8B | sing | 1.38Å | 1.39Å | Aromatic |
| N1B | C2B | sing | 1.36Å | 1.36Å | Aromatic |
| C8B | C9B | sing | 1.41Å | 1.44Å | Aromatic |
| C8B | C7B | doub | 1.39Å | 1.43Å | Aromatic |
| C2B | N3B | doub | 1.30Å | 1.31Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| N3B | C9B | sing | 1.36Å | 1.36Å | Aromatic |
| C9B | C4B | doub | 1.40Å | 1.38Å | Aromatic |
| C4B | C5B | sing | 1.38Å | 1.42Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | O5M | sing | 1.36Å | 1.41Å | |
| C5B | C6B | doub | 1.39Å | 1.38Å | Aromatic |
| O5M | H5M | sing | 0.97Å | 0.95Å | |
| C6B | C7B | sing | 1.38Å | 1.40Å | Aromatic |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| C7B | H7B | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | CO | N22 | 88.6° | 95.0° |
| N21 | CO | N23 | 173.9° | 130.3° |
| N21 | CO | N24 | 83.7° | 94.9° |
| CO | N21 | C1 | 116.9° | 108.1° |
| CO | N21 | C4 | 132.5° | 134.2° |
| N22 | CO | N23 | 97.1° | 99.9° |
| N22 | CO | N24 | 171.3° | 154.3° |
| CO | N22 | C6 | 129.6° | 122.5° |
| CO | N22 | C9 | 120.5° | 122.7° |
| N23 | CO | N24 | 90.8° | 91.6° |
| CO | N23 | C11 | 124.0° | 122.3° |
| CO | N23 | C14 | 125.9° | 119.7° |
| CO | N24 | C16 | 135.1° | 141.1° |
| CO | N24 | C19 | 112.1° | 108.8° |
| C1 | N21 | C4 | 110.6° | 115.0° |
| N21 | C1 | C20 | 106.9° | 89.9° |
| N21 | C1 | C2 | 102.4° | 104.0° |
| N21 | C1 | C19 | 103.3° | 114.9° |
| N21 | C4 | C3 | 110.7° | 106.1° |
| N21 | C4 | C5 | 123.8° | 115.8° |
| C6 | N22 | C9 | 109.7° | 111.3° |
| N22 | C6 | C5 | 123.2° | 126.9° |
| N22 | C6 | C7 | 106.7° | 105.5° |
| N22 | C9 | C8 | 112.6° | 105.4° |
| N22 | C9 | C10 | 127.4° | 124.8° |
| C11 | N23 | C14 | 110.1° | 115.3° |
| N23 | C11 | C10 | 123.0° | 123.5° |
| N23 | C11 | C12 | 113.6° | 104.6° |
| N23 | C14 | C13 | 108.1° | 104.7° |
| N23 | C14 | C15 | 126.9° | 131.1° |
| C16 | N24 | C19 | 112.0° | 104.0° |
| N24 | C16 | C15 | 119.6° | 108.5° |
| N24 | C16 | C17 | 109.2° | 104.0° |
| N24 | C19 | C1 | 111.3° | 111.7° |
| N24 | C19 | C18 | 104.4° | 102.5° |
| N24 | C19 | H19 | 116.4° | 101.4° |
| C20 | C1 | C2 | 115.0° | 97.2° |
| C20 | C1 | C19 | 106.3° | 99.1° |
| C1 | C20 | H201 | 109.4° | 109.4° |
| C1 | C20 | H202 | 109.5° | 109.5° |
| C1 | C20 | H203 | 109.5° | 109.4° |
| C2 | C1 | C19 | 121.3° | 137.5° |
| C1 | C2 | C25 | 116.2° | 111.0° |
| C1 | C2 | C26 | 110.2° | 111.0° |
| C1 | C2 | C3 | 97.9° | 101.9° |
| C1 | C19 | C18 | 120.5° | 129.7° |
| C1 | C19 | H19 | 98.5° | 104.2° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| C25 | C2 | C26 | 108.5° | 110.9° |
| C25 | C2 | C3 | 115.7° | 111.1° |
| C2 | C25 | H251 | 109.5° | 109.5° |
| C2 | C25 | H252 | 109.5° | 109.5° |
| C2 | C25 | H253 | 109.5° | 109.5° |
| C26 | C2 | C3 | 107.8° | 110.6° |
| C2 | C26 | C27 | 118.5° | 109.5° |
| C2 | C26 | H261 | 104.5° | 109.5° |
| C2 | C26 | H262 | 106.6° | 109.4° |
| C2 | C3 | C30 | 120.0° | 110.2° |
| C2 | C3 | C4 | 102.2° | 105.6° |
| C2 | C3 | H3 | 110.4° | 110.1° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.4° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| C27 | C26 | H261 | 104.5° | 109.5° |
| C27 | C26 | H262 | 106.6° | 109.5° |
| C26 | C27 | O28 | 120.8° | 120.0° |
| C26 | C27 | N29 | 118.5° | 120.0° |
| H261 | C26 | H262 | 116.8° | 109.5° |
| O28 | C27 | N29 | 120.7° | 120.0° |
| C27 | N29 | H291 | 125.2° | 120.0° |
| C27 | N29 | H292 | 109.6° | 120.0° |
| H291 | N29 | H292 | 125.2° | 120.0° |
| C30 | C3 | C4 | 116.4° | 109.8° |
| C30 | C3 | H3 | 93.8° | 110.2° |
| C3 | C30 | C31 | 109.7° | 109.5° |
| C3 | C30 | H301 | 109.4° | 109.4° |
| C3 | C30 | H302 | 109.4° | 109.5° |
| C4 | C3 | H3 | 114.5° | 110.9° |
| C3 | C4 | C5 | 125.4° | 137.4° |
| C31 | C30 | H301 | 109.3° | 109.5° |
| C31 | C30 | H302 | 109.4° | 109.5° |
| C30 | C31 | C32 | 122.0° | 109.5° |
| C30 | C31 | H311 | 102.5° | 109.5° |
| C30 | C31 | H312 | 105.5° | 109.4° |
| H301 | C30 | H302 | 109.7° | 109.4° |
| C32 | C31 | H311 | 102.6° | 109.5° |
| C32 | C31 | H312 | 105.5° | 109.5° |
| C31 | C32 | O34 | 115.9° | 120.0° |
| C31 | C32 | N33 | 121.5° | 120.0° |
| H311 | C31 | H312 | 119.9° | 109.4° |
| O34 | C32 | N33 | 122.6° | 120.0° |
| C32 | N33 | H331 | 125.2° | 120.0° |
| C32 | N33 | H332 | 109.6° | 120.0° |
| H331 | N33 | H332 | 125.2° | 120.0° |
| C4 | C5 | C35 | 114.8° | 118.5° |
| C4 | C5 | C6 | 122.1° | 123.1° |
| C35 | C5 | C6 | 123.1° | 118.4° |
| C5 | C35 | H351 | 109.5° | 109.5° |
| C5 | C35 | H352 | 109.5° | 109.5° |
| C5 | C35 | H353 | 109.5° | 109.5° |
| C5 | C6 | C7 | 129.7° | 127.3° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.4° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| C6 | C7 | C36 | 126.7° | 110.8° |
| C6 | C7 | C37 | 108.1° | 110.8° |
| C6 | C7 | C8 | 100.3° | 102.4° |
| C36 | C7 | C37 | 105.8° | 110.8° |
| C36 | C7 | C8 | 109.7° | 110.8° |
| C7 | C36 | H361 | 109.5° | 109.4° |
| C7 | C36 | H362 | 109.5° | 109.5° |
| C7 | C36 | H363 | 109.5° | 109.5° |
| C37 | C7 | C8 | 104.2° | 111.0° |
| C7 | C37 | C38 | 118.4° | 109.5° |
| C7 | C37 | H371 | 104.5° | 109.5° |
| C7 | C37 | H372 | 106.6° | 109.5° |
| C7 | C8 | C41 | 109.8° | 110.9° |
| C7 | C8 | C9 | 102.8° | 102.2° |
| C7 | C8 | H8 | 114.5° | 110.9° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H361 | C36 | H363 | 109.4° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| C38 | C37 | H371 | 104.5° | 109.5° |
| C38 | C37 | H372 | 106.6° | 109.5° |
| C37 | C38 | O39 | 123.8° | 120.0° |
| C37 | C38 | N40 | 116.7° | 120.0° |
| H371 | C37 | H372 | 116.8° | 109.4° |
| O39 | C38 | N40 | 119.6° | 120.0° |
| C38 | N40 | H401 | 124.9° | 120.1° |
| C38 | N40 | H402 | 110.3° | 120.0° |
| H401 | N40 | H402 | 124.8° | 120.0° |
| C41 | C8 | C9 | 112.3° | 111.0° |
| C41 | C8 | H8 | 105.4° | 110.8° |
| C8 | C41 | C42 | 124.6° | 109.5° |
| C8 | C41 | H411 | 101.2° | 109.5° |
| C8 | C41 | H412 | 104.7° | 109.4° |
| C9 | C8 | H8 | 112.2° | 110.8° |
| C8 | C9 | C10 | 120.0° | 129.8° |
| C42 | C41 | H411 | 101.1° | 109.5° |
| C42 | C41 | H412 | 104.7° | 109.5° |
| C41 | C42 | C43 | 111.9° | 109.5° |
| C41 | C42 | H421 | 108.2° | 109.5° |
| C41 | C42 | H422 | 108.7° | 109.4° |
| H411 | C41 | H412 | 122.3° | 109.4° |
| C43 | C42 | H421 | 108.1° | 109.5° |
| C43 | C42 | H422 | 108.7° | 109.5° |
| C42 | C43 | O44 | 125.1° | 120.0° |
| C42 | C43 | N45 | 114.7° | 120.0° |
| H421 | C42 | H422 | 111.4° | 109.5° |
| O44 | C43 | N45 | 120.2° | 120.0° |
| C43 | N45 | H451 | 124.4° | 120.0° |
| C43 | N45 | H452 | 111.1° | 120.1° |
| H451 | N45 | H452 | 124.5° | 119.9° |
| C9 | C10 | C11 | 127.2° | 122.4° |
| C9 | C10 | H10 | 116.4° | 118.9° |
| C11 | C10 | H10 | 116.4° | 118.8° |
| C10 | C11 | C12 | 123.2° | 131.7° |
| C11 | C12 | C46 | 106.9° | 111.0° |
| C11 | C12 | C47 | 114.4° | 111.0° |
| C11 | C12 | C13 | 101.3° | 101.6° |
| C46 | C12 | C47 | 107.5° | 110.9° |
| C46 | C12 | C13 | 106.2° | 111.0° |
| C12 | C46 | H461 | 109.4° | 109.5° |
| C12 | C46 | H462 | 109.5° | 109.5° |
| C12 | C46 | H463 | 109.5° | 109.5° |
| C47 | C12 | C13 | 119.6° | 111.0° |
| C12 | C47 | H471 | 109.5° | 109.5° |
| C12 | C47 | H472 | 109.5° | 109.5° |
| C12 | C47 | H473 | 109.5° | 109.5° |
| C12 | C13 | C48 | 112.1° | 110.6° |
| C12 | C13 | C14 | 104.7° | 103.6° |
| C12 | C13 | H13 | 111.0° | 110.6° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.5° | 109.5° |
| H462 | C46 | H463 | 109.4° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.4° |
| H471 | C47 | H473 | 109.4° | 109.5° |
| H472 | C47 | H473 | 109.5° | 109.4° |
| C48 | C13 | C14 | 109.8° | 110.7° |
| C48 | C13 | H13 | 106.1° | 110.5° |
| C13 | C48 | C49 | 119.5° | 109.5° |
| C13 | C48 | H481 | 103.9° | 109.5° |
| C13 | C48 | H482 | 106.3° | 109.5° |
| C14 | C13 | H13 | 113.3° | 110.6° |
| C13 | C14 | C15 | 124.9° | 124.2° |
| C49 | C48 | H481 | 103.9° | 109.5° |
| C49 | C48 | H482 | 106.2° | 109.5° |
| C48 | C49 | C50 | 111.6° | 109.5° |
| C48 | C49 | H491 | 108.3° | 109.5° |
| C48 | C49 | H492 | 108.8° | 109.5° |
| H481 | C48 | H482 | 117.7° | 109.4° |
| C50 | C49 | H491 | 108.3° | 109.5° |
| C50 | C49 | H492 | 108.8° | 109.4° |
| C49 | C50 | O51 | 124.2° | 120.0° |
| C49 | C50 | N52 | 115.1° | 120.0° |
| H491 | C49 | H492 | 111.1° | 109.4° |
| O51 | C50 | N52 | 120.7° | 120.0° |
| C50 | N52 | H521 | 124.4° | 120.0° |
| C50 | N52 | H522 | 111.2° | 120.0° |
| H521 | N52 | H522 | 124.4° | 120.0° |
| C14 | C15 | C53 | 115.9° | 118.2° |
| C14 | C15 | C16 | 121.5° | 123.6° |
| C53 | C15 | C16 | 122.6° | 118.2° |
| C15 | C53 | H531 | 109.4° | 109.5° |
| C15 | C53 | H532 | 109.4° | 109.5° |
| C15 | C53 | H533 | 109.5° | 109.5° |
| C15 | C16 | C17 | 130.6° | 145.7° |
| H531 | C53 | H532 | 109.5° | 109.5° |
| H531 | C53 | H533 | 109.5° | 109.4° |
| H532 | C53 | H533 | 109.5° | 109.4° |
| C16 | C17 | C54 | 106.6° | 110.5° |
| C16 | C17 | C55 | 120.9° | 110.5° |
| C16 | C17 | C18 | 99.7° | 104.3° |
| C54 | C17 | C55 | 105.7° | 110.4° |
| C54 | C17 | C18 | 113.7° | 110.5° |
| C17 | C54 | H541 | 109.5° | 109.4° |
| C17 | C54 | H542 | 109.4° | 109.5° |
| C17 | C54 | H543 | 109.5° | 109.5° |
| C55 | C17 | C18 | 110.5° | 110.5° |
| C17 | C55 | C56 | 116.3° | 109.5° |
| C17 | C55 | H551 | 105.7° | 109.5° |
| C17 | C55 | H552 | 107.3° | 109.5° |
| C17 | C18 | C60 | 128.3° | 111.0° |
| C17 | C18 | C19 | 103.1° | 101.9° |
| C17 | C18 | H18 | 102.0° | 110.9° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H543 | 109.5° | 109.5° |
| H542 | C54 | H543 | 109.4° | 109.5° |
| C56 | C55 | H551 | 105.7° | 109.5° |
| C56 | C55 | H552 | 107.3° | 109.5° |
| C55 | C56 | C57 | 111.4° | 109.5° |
| C55 | C56 | H561 | 108.4° | 109.4° |
| C55 | C56 | H562 | 108.8° | 109.5° |
| H551 | C55 | H552 | 114.9° | 109.4° |
| C57 | C56 | H561 | 108.4° | 109.4° |
| C57 | C56 | H562 | 108.8° | 109.5° |
| C56 | C57 | O58 | 119.8° | 120.0° |
| C56 | C57 | N59 | 117.2° | 120.0° |
| H561 | C56 | H562 | 110.9° | 109.4° |
| O58 | C57 | N59 | 123.0° | 120.0° |
| C57 | N59 | C1P | 125.9° | 120.0° |
| C57 | N59 | H59 | 117.1° | 120.0° |
| C1P | N59 | H59 | 117.1° | 120.0° |
| N59 | C1P | C2P | 113.8° | 109.5° |
| N59 | C1P | H1P1 | 107.1° | 109.5° |
| N59 | C1P | H1P2 | 108.1° | 109.5° |
| C60 | C18 | C19 | 112.4° | 111.0° |
| C60 | C18 | H18 | 90.0° | 110.9° |
| C18 | C60 | C61 | 125.1° | 109.5° |
| C18 | C60 | H601 | 100.9° | 109.4° |
| C18 | C60 | H602 | 104.6° | 109.5° |
| C19 | C18 | H18 | 122.1° | 110.9° |
| C18 | C19 | H19 | 106.2° | 103.8° |
| C61 | C60 | H601 | 100.9° | 109.4° |
| C61 | C60 | H602 | 104.6° | 109.5° |
| C60 | C61 | O63 | 116.8° | 120.0° |
| C60 | C61 | N62 | 120.2° | 120.0° |
| H601 | C60 | H602 | 122.7° | 109.5° |
| O63 | C61 | N62 | 122.5° | 120.0° |
| C61 | N62 | H621 | 124.9° | 120.0° |
| C61 | N62 | H622 | 110.1° | 120.0° |
| H621 | N62 | H622 | 125.0° | 119.9° |
| C2P | C1P | H1P1 | 107.1° | 109.5° |
| C2P | C1P | H1P2 | 108.0° | 109.5° |
| C1P | C2P | C3P | 110.4° | 109.5° |
| C1P | C2P | O3 | 109.8° | 109.5° |
| C1P | C2P | H2P | 108.1° | 109.5° |
| H1P1 | C1P | H1P2 | 112.9° | 109.5° |
| C3P | C2P | O3 | 107.9° | 109.5° |
| C3P | C2P | H2P | 110.1° | 109.5° |
| C2P | C3P | H3P1 | 109.5° | 109.5° |
| C2P | C3P | H3P2 | 109.5° | 109.5° |
| C2P | C3P | H3P3 | 109.5° | 109.5° |
| O3 | C2P | H2P | 110.6° | 109.4° |
| C2P | O3 | P | 129.8° | 106.8° |
| H3P1 | C3P | H3P2 | 109.5° | 109.4° |
| H3P1 | C3P | H3P3 | 109.5° | 109.5° |
| H3P2 | C3P | H3P3 | 109.5° | 109.5° |
| O3 | P | O4 | 109.3° | 109.5° |
| O3 | P | O5 | 109.6° | 109.4° |
| O3 | P | O2 | 101.3° | 109.5° |
| O4 | P | O5 | 117.2° | 109.5° |
| O4 | P | O2 | 107.7° | 109.5° |
| O5 | P | O2 | 110.6° | 109.5° |
| P | O2 | C3R | 129.0° | 106.8° |
| O2 | C3R | C2R | 113.4° | 110.5° |
| O2 | C3R | C4R | 109.6° | 110.5° |
| O2 | C3R | H3R | 105.8° | 110.5° |
| C2R | C3R | C4R | 106.8° | 104.2° |
| C2R | C3R | H3R | 108.7° | 110.5° |
| C3R | C2R | O7R | 115.1° | 110.5° |
| C3R | C2R | C1R | 103.2° | 104.1° |
| C3R | C2R | H2R | 110.9° | 110.5° |
| C4R | C3R | H3R | 112.5° | 110.5° |
| C3R | C4R | O6R | 103.0° | 104.7° |
| C3R | C4R | C5R | 116.5° | 110.6° |
| C3R | C4R | H4R | 109.4° | 110.3° |
| O7R | C2R | C1R | 112.0° | 110.6° |
| O7R | C2R | H2R | 101.9° | 110.5° |
| C2R | O7R | H7R | 109.5° | 106.8° |
| C1R | C2R | H2R | 114.2° | 110.5° |
| C2R | C1R | O6R | 105.1° | 104.8° |
| C2R | C1R | N1B | 117.6° | 110.4° |
| C2R | C1R | H1R | 106.3° | 110.4° |
| O6R | C1R | N1B | 106.9° | 110.4° |
| O6R | C1R | H1R | 117.1° | 110.4° |
| C1R | O6R | C4R | 107.3° | 105.4° |
| N1B | C1R | H1R | 104.5° | 110.4° |
| C1R | N1B | C8B | 126.4° | 126.3° |
| C1R | N1B | C2B | 128.3° | 126.4° |
| O6R | C4R | C5R | 109.8° | 110.4° |
| O6R | C4R | H4R | 116.2° | 110.4° |
| C5R | C4R | H4R | 102.6° | 110.3° |
| C4R | C5R | O8R | 115.9° | 109.4° |
| C4R | C5R | H5R1 | 105.9° | 109.5° |
| C4R | C5R | H5R2 | 107.4° | 109.5° |
| O8R | C5R | H5R1 | 105.9° | 109.5° |
| O8R | C5R | H5R2 | 107.4° | 109.5° |
| C5R | O8R | H8R | 109.5° | 106.8° |
| H5R1 | C5R | H5R2 | 114.7° | 109.5° |
| C8B | N1B | C2B | 105.3° | 107.3° |
| N1B | C8B | C9B | 105.2° | 105.9° |
| N1B | C8B | C7B | 133.3° | 134.0° |
| N1B | C2B | N3B | 114.5° | 110.1° |
| N1B | C2B | H2B | 122.7° | 124.9° |
| C9B | C8B | C7B | 121.5° | 120.1° |
| C8B | C9B | N3B | 109.2° | 107.0° |
| C8B | C9B | C4B | 116.5° | 119.5° |
| C8B | C7B | C6B | 117.1° | 119.8° |
| C8B | C7B | H7B | 121.5° | 120.1° |
| N3B | C2B | H2B | 122.7° | 125.0° |
| C2B | N3B | C9B | 105.8° | 109.7° |
| N3B | C9B | C4B | 134.1° | 133.6° |
| C9B | C4B | C5B | 122.5° | 119.8° |
| C9B | C4B | H4B | 118.8° | 120.1° |
| C5B | C4B | H4B | 118.8° | 120.1° |
| C4B | C5B | O5M | 125.8° | 119.8° |
| C4B | C5B | C6B | 118.3° | 120.4° |
| O5M | C5B | C6B | 96.6° | 119.8° |
| C5B | O5M | H5M | 109.5° | 106.8° |
| C5B | C6B | C7B | 122.3° | 120.4° |
| C5B | C6B | H6B | 118.8° | 119.8° |
| C7B | C6B | H6B | 118.9° | 119.8° |
| C6B | C7B | H7B | 121.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | CO | N22 | N23 | 177.8° | 132.4° |
| N21 | CO | N22 | N24 | 27.3° | 112.2° |
| N21 | CO | N23 | N24 | 25.2° | 97.8° |
| CO | N21 | C1 | C4 | 179.0° | 164.0° |
| N21 | CO | N22 | C6 | 4.8° | 12.8° |
| N21 | CO | N22 | C9 | 170.0° | 144.2° |
| N21 | CO | N23 | C11 | 157.9° | 98.2° |
| N21 | CO | N23 | C14 | 20.4° | 101.4° |
| N21 | CO | N24 | C16 | 176.1° | 155.7° |
| N21 | CO | N24 | C19 | 15.4° | 9.5° |
| CO | N21 | C1 | C20 | 86.0° | 95.9° |
| CO | N21 | C1 | C2 | 152.7° | 166.7° |
| CO | N21 | C1 | C19 | 26.0° | 4.1° |
| CO | N21 | C4 | C3 | 176.3° | 178.5° |
| CO | N21 | C4 | C5 | 1.4° | 6.3° |
| N22 | CO | N23 | N24 | 176.3° | 156.9° |
| N22 | CO | N21 | C1 | 176.9° | 159.7° |
| N22 | CO | N21 | C4 | 4.3° | 0.1° |
| CO | N22 | C6 | C9 | 175.2° | 159.4° |
| N22 | CO | N23 | C11 | 0.5° | 7.1° |
| N22 | CO | N23 | C14 | 178.9° | 153.4° |
| N22 | CO | N24 | C16 | 156.4° | 92.1° |
| N22 | CO | N24 | C19 | 12.1° | 121.7° |
| CO | N22 | C6 | C5 | 2.4° | 21.1° |
| CO | N22 | C6 | C7 | 170.9° | 164.6° |
| CO | N22 | C9 | C8 | 171.3° | 162.3° |
| CO | N22 | C9 | C10 | 9.6° | 19.7° |
| N23 | CO | N21 | C1 | 18.3° | 92.9° |
| N23 | CO | N21 | C4 | 163.0° | 107.5° |
| N23 | CO | N22 | C6 | 177.5° | 145.2° |
| N23 | CO | N22 | C9 | 7.8° | 11.8° |
| CO | N23 | C11 | C14 | 178.6° | 161.3° |
| N23 | CO | N24 | C16 | 1.3° | 25.0° |
| N23 | CO | N24 | C19 | 167.2° | 121.2° |
| CO | N23 | C11 | C10 | 6.2° | 20.2° |
| CO | N23 | C11 | C12 | 178.1° | 163.9° |
| CO | N23 | C14 | C13 | 172.2° | 173.0° |
| CO | N23 | C14 | C15 | 5.3° | 9.5° |
| N24 | CO | N21 | C1 | 7.1° | 3.4° |
| N24 | CO | N21 | C4 | 171.7° | 156.2° |
| N24 | CO | N22 | C6 | 22.6° | 99.4° |
| N24 | CO | N22 | C9 | 162.7° | 103.6° |
| N24 | CO | N23 | C11 | 176.9° | 164.0° |
| N24 | CO | N23 | C14 | 4.8° | 3.6° |
| CO | N24 | C16 | C19 | 168.5° | 147.1° |
| CO | N24 | C19 | C1 | 35.0° | 13.4° |
| CO | N24 | C16 | C15 | 2.3° | 26.7° |
| CO | N24 | C16 | C17 | 169.5° | 164.4° |
| CO | N24 | C19 | C18 | 166.5° | 155.8° |
| CO | N24 | C19 | H19 | 76.8° | 97.1° |
| N21 | C1 | C19 | N24 | 37.3° | 11.5° |
| N21 | C1 | C20 | C2 | 113.0° | 104.1° |
| N21 | C1 | C20 | C19 | 109.8° | 115.3° |
| N21 | C1 | C2 | C19 | 114.1° | 156.3° |
| N21 | C1 | C20 | H201 | 68.8° | 78.5° |
| N21 | C1 | C20 | H202 | 51.2° | 161.5° |
| N21 | C1 | C20 | H203 | 171.2° | 41.5° |
| N21 | C1 | C2 | C25 | 161.5° | 142.0° |
| N21 | C1 | C2 | C26 | 74.7° | 94.2° |
| N21 | C1 | C2 | C3 | 37.7° | 23.6° |
| C1 | N21 | C4 | C3 | 2.5° | 19.9° |
| C1 | N21 | C4 | C5 | 179.8° | 152.3° |
| N21 | C1 | C19 | C18 | 160.0° | 140.7° |
| N21 | C1 | C19 | H19 | 85.4° | 97.2° |
| C4 | N21 | C1 | C20 | 95.0° | 68.1° |
| C4 | N21 | C1 | C2 | 26.3° | 29.3° |
| C4 | N21 | C1 | C19 | 153.0° | 168.1° |
| N21 | C4 | C3 | C2 | 23.3° | 2.6° |
| N21 | C4 | C3 | C30 | 109.5° | 121.3° |
| N21 | C4 | C3 | C5 | 177.7° | 169.6° |
| N21 | C4 | C3 | H3 | 142.6° | 116.7° |
| N21 | C4 | C5 | C35 | 178.7° | 179.0° |
| N21 | C4 | C5 | C6 | 3.1° | 1.0° |
| N22 | C6 | C5 | C4 | 2.4° | 13.3° |
| N22 | C6 | C5 | C35 | 179.4° | 166.8° |
| N22 | C6 | C5 | C7 | 171.7° | 173.1° |
| N22 | C6 | C7 | C36 | 149.4° | 100.7° |
| N22 | C6 | C7 | C37 | 83.6° | 135.9° |
| N22 | C6 | C7 | C8 | 25.2° | 17.5° |
| C6 | N22 | C9 | C8 | 4.4° | 38.4° |
| C6 | N22 | C9 | C10 | 174.7° | 139.6° |
| C9 | N22 | C6 | C5 | 172.7° | 138.3° |
| C9 | N22 | C6 | C7 | 13.9° | 36.0° |
| N22 | C9 | C8 | C7 | 20.9° | 23.4° |
| N22 | C9 | C8 | C41 | 97.1° | 94.9° |
| N22 | C9 | C8 | C10 | 179.2° | 177.9° |
| N22 | C9 | C8 | H8 | 144.4° | 141.6° |
| N22 | C9 | C10 | C11 | 1.8° | 6.8° |
| N22 | C9 | C10 | H10 | 178.2° | 173.2° |
| N23 | C11 | C10 | C9 | 7.1° | 14.8° |
| N23 | C11 | C10 | C12 | 175.3° | 174.7° |
| N23 | C11 | C10 | H10 | 172.9° | 165.2° |
| N23 | C11 | C12 | C46 | 99.7° | 145.4° |
| N23 | C11 | C12 | C47 | 141.4° | 90.8° |
| N23 | C11 | C12 | C13 | 11.3° | 27.3° |
| C11 | N23 | C14 | C13 | 6.3° | 25.2° |
| C11 | N23 | C14 | C15 | 176.2° | 152.3° |
| C14 | N23 | C11 | C10 | 172.3° | 141.0° |
| C14 | N23 | C11 | C12 | 3.3° | 34.9° |
| N23 | C14 | C13 | C12 | 13.1° | 4.6° |
| N23 | C14 | C13 | C48 | 107.4° | 123.2° |
| N23 | C14 | C13 | C15 | 177.5° | 177.7° |
| N23 | C14 | C13 | H13 | 134.2° | 114.0° |
| N23 | C14 | C15 | C53 | 179.0° | 169.5° |
| N23 | C14 | C15 | C16 | 0.6° | 10.5° |
| C16 | N24 | C19 | C1 | 153.8° | 172.3° |
| N24 | C16 | C15 | C14 | 3.2° | 5.0° |
| N24 | C16 | C15 | C53 | 177.3° | 175.0° |
| N24 | C16 | C15 | C17 | 169.7° | 160.6° |
| N24 | C16 | C17 | C54 | 99.4° | 150.7° |
| N24 | C16 | C17 | C55 | 140.2° | 86.8° |
| N24 | C16 | C17 | C18 | 19.1° | 32.0° |
| C16 | N24 | C19 | C18 | 22.2° | 45.4° |
| C16 | N24 | C19 | H19 | 94.5° | 61.7° |
| N24 | C19 | C1 | C20 | 75.1° | 82.7° |
| N24 | C19 | C1 | C2 | 151.0° | 166.0° |
| N24 | C19 | C1 | C18 | 122.7° | 129.2° |
| N24 | C19 | C1 | H19 | 122.8° | 108.7° |
| C19 | N24 | C16 | C15 | 170.8° | 120.4° |
| C19 | N24 | C16 | C17 | 1.0° | 48.5° |
| N24 | C19 | C18 | C17 | 33.0° | 23.1° |
| N24 | C19 | C18 | C60 | 174.5° | 141.4° |
| N24 | C19 | C18 | H19 | 123.6° | 105.3° |
| N24 | C19 | C18 | H18 | 80.5° | 95.0° |
| C20 | C1 | C2 | C19 | 130.3° | 112.0° |
| C1 | C20 | H201 | H202 | 120.0° | 120.0° |
| C1 | C20 | H201 | H203 | 120.0° | 119.9° |
| C1 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C1 | C2 | C25 | 45.9° | 50.2° |
| C20 | C1 | C2 | C26 | 169.7° | 174.1° |
| C20 | C1 | C2 | C3 | 77.9° | 68.1° |
| C20 | C1 | C19 | C18 | 47.6° | 46.5° |
| C20 | C1 | C19 | H19 | 162.2° | 168.6° |
| C2 | C1 | C20 | H201 | 178.2° | 177.4° |
| C2 | C1 | C20 | H202 | 61.8° | 57.4° |
| C2 | C1 | C20 | H203 | 58.2° | 62.6° |
| C1 | C2 | C25 | C26 | 124.7° | 123.9° |
| C1 | C2 | C25 | C3 | 114.0° | 112.6° |
| C1 | C2 | C26 | C3 | 105.8° | 112.4° |
| C1 | C2 | C25 | H251 | 143.7° | 44.1° |
| C1 | C2 | C25 | H252 | 23.6° | 164.1° |
| C1 | C2 | C25 | H253 | 96.4° | 75.8° |
| C1 | C2 | C26 | C27 | 177.1° | 174.6° |
| C1 | C2 | C26 | H261 | 67.2° | 65.4° |
| C1 | C2 | C26 | H262 | 57.1° | 54.6° |
| C1 | C2 | C3 | C30 | 94.9° | 104.9° |
| C1 | C2 | C3 | C4 | 35.7° | 13.6° |
| C1 | C2 | C3 | H3 | 157.9° | 133.4° |
| C2 | C1 | C19 | C18 | 86.3° | 64.8° |
| C2 | C1 | C19 | H19 | 28.3° | 57.3° |
| C19 | C1 | C20 | H201 | 41.0° | 36.8° |
| C19 | C1 | C20 | H202 | 161.0° | 83.3° |
| C19 | C1 | C20 | H203 | 79.0° | 156.7° |
| C19 | C1 | C2 | C25 | 84.4° | 61.7° |
| C19 | C1 | C2 | C26 | 39.4° | 62.1° |
| C19 | C1 | C2 | C3 | 151.8° | 180.0° |
| C1 | C19 | C18 | C17 | 158.9° | 155.6° |
| C1 | C19 | C18 | C60 | 59.5° | 86.2° |
| C1 | C19 | C18 | H19 | 110.5° | 122.3° |
| C1 | C19 | C18 | H18 | 45.5° | 37.5° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C25 | C2 | C26 | C3 | 126.0° | 123.7° |
| C2 | C25 | H251 | H252 | 120.0° | 120.0° |
| C2 | C25 | H251 | H253 | 120.0° | 120.0° |
| C2 | C25 | H252 | H253 | 120.0° | 120.1° |
| C25 | C2 | C26 | C27 | 48.9° | 61.5° |
| C25 | C2 | C26 | H261 | 164.6° | 58.5° |
| C25 | C2 | C26 | H262 | 71.1° | 178.5° |
| C25 | C2 | C3 | C30 | 29.3° | 13.4° |
| C25 | C2 | C3 | C4 | 159.9° | 131.9° |
| C25 | C2 | C3 | H3 | 77.9° | 108.4° |
| C26 | C2 | C25 | H251 | 19.0° | 79.8° |
| C26 | C2 | C25 | H252 | 101.1° | 40.2° |
| C26 | C2 | C25 | H253 | 138.9° | 160.3° |
| C2 | C26 | C27 | H261 | 115.7° | 120.0° |
| C2 | C26 | C27 | H262 | 120.0° | 120.0° |
| C2 | C26 | H261 | H262 | 117.4° | 120.0° |
| C2 | C26 | C27 | O28 | 76.1° | 5.7° |
| C2 | C26 | C27 | N29 | 103.8° | 174.4° |
| C26 | C2 | C3 | C30 | 150.9° | 137.0° |
| C26 | C2 | C3 | C4 | 78.5° | 104.5° |
| C26 | C2 | C3 | H3 | 43.7° | 15.3° |
| C3 | C2 | C25 | H251 | 102.3° | 156.8° |
| C3 | C2 | C25 | H252 | 137.7° | 83.2° |
| C3 | C2 | C25 | H253 | 17.7° | 36.8° |
| C3 | C2 | C26 | C27 | 77.1° | 62.2° |
| C3 | C2 | C26 | H261 | 38.6° | 177.8° |
| C3 | C2 | C26 | H262 | 162.9° | 57.8° |
| C2 | C3 | C30 | C4 | 124.0° | 115.9° |
| C2 | C3 | C30 | H3 | 116.2° | 121.7° |
| C2 | C3 | C4 | H3 | 119.3° | 119.3° |
| C2 | C3 | C30 | C31 | 87.9° | 165.4° |
| C2 | C3 | C30 | H301 | 32.0° | 74.5° |
| C2 | C3 | C30 | H302 | 152.1° | 45.4° |
| C2 | C3 | C4 | C5 | 154.4° | 167.0° |
| H251 | C25 | H252 | H253 | 120.0° | 119.9° |
| C27 | C26 | H261 | H262 | 117.4° | 120.0° |
| C26 | C27 | O28 | N29 | 179.9° | 179.9° |
| C26 | C27 | N29 | H291 | 179.9° | 0.1° |
| C26 | C27 | N29 | H292 | 0.0° | 180.0° |
| H261 | C26 | C27 | O28 | 39.6° | 125.7° |
| H261 | C26 | C27 | N29 | 140.4° | 54.4° |
| H262 | C26 | C27 | O28 | 163.9° | 114.3° |
| H262 | C26 | C27 | N29 | 16.2° | 65.7° |
| O28 | C27 | N29 | H291 | 0.0° | 180.0° |
| O28 | C27 | N29 | H292 | 180.0° | 0.1° |
| C27 | N29 | H291 | H292 | 179.9° | 179.9° |
| C30 | C3 | C4 | H3 | 107.9° | 121.9° |
| C3 | C30 | C31 | H301 | 119.9° | 120.0° |
| C3 | C30 | C31 | H302 | 120.0° | 120.1° |
| C3 | C30 | H301 | H302 | 120.0° | 120.0° |
| C3 | C30 | C31 | C32 | 170.8° | 152.9° |
| C3 | C30 | C31 | H311 | 57.1° | 32.8° |
| C3 | C30 | C31 | H312 | 69.2° | 87.1° |
| C30 | C3 | C4 | C5 | 72.8° | 48.2° |
| C4 | C3 | C30 | C31 | 148.0° | 78.6° |
| C4 | C3 | C30 | H301 | 92.1° | 41.4° |
| C4 | C3 | C30 | H302 | 28.0° | 161.3° |
| C3 | C4 | C5 | C35 | 1.3° | 10.1° |
| C3 | C4 | C5 | C6 | 179.6° | 169.8° |
| H3 | C3 | C30 | C31 | 28.3° | 43.7° |
| H3 | C3 | C30 | H301 | 148.1° | 163.8° |
| H3 | C3 | C30 | H302 | 91.7° | 76.3° |
| H3 | C3 | C4 | C5 | 35.1° | 73.7° |
| C31 | C30 | H301 | H302 | 119.9° | 120.0° |
| C30 | C31 | C32 | H311 | 113.7° | 120.0° |
| C30 | C31 | C32 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H312 | 116.3° | 119.9° |
| C30 | C31 | C32 | O34 | 179.7° | 0.1° |
| C30 | C31 | C32 | N33 | 0.3° | 180.0° |
| H301 | C30 | C31 | C32 | 69.3° | 87.1° |
| H301 | C30 | C31 | H311 | 177.0° | 152.8° |
| H301 | C30 | C31 | H312 | 50.7° | 32.9° |
| H302 | C30 | C31 | C32 | 50.8° | 32.9° |
| H302 | C30 | C31 | H311 | 62.9° | 87.2° |
| H302 | C30 | C31 | H312 | 170.8° | 152.8° |
| C32 | C31 | H311 | H312 | 116.4° | 120.0° |
| C31 | C32 | O34 | N33 | 180.0° | 179.9° |
| C31 | C32 | N33 | H331 | 180.0° | 0.1° |
| C31 | C32 | N33 | H332 | 0.0° | 180.0° |
| H311 | C31 | C32 | O34 | 66.7° | 120.0° |
| H311 | C31 | C32 | N33 | 113.4° | 59.9° |
| H312 | C31 | C32 | O34 | 59.7° | 120.0° |
| H312 | C31 | C32 | N33 | 120.3° | 60.1° |
| O34 | C32 | N33 | H331 | 0.0° | 180.0° |
| O34 | C32 | N33 | H332 | 180.0° | 0.1° |
| C32 | N33 | H331 | H332 | 180.0° | 179.9° |
| C4 | C5 | C35 | C6 | 178.2° | 180.0° |
| C4 | C5 | C35 | H351 | 75.6° | 112.6° |
| C4 | C5 | C35 | H352 | 44.4° | 7.3° |
| C4 | C5 | C35 | H353 | 164.4° | 127.4° |
| C4 | C5 | C6 | C7 | 174.2° | 173.6° |
| C5 | C35 | H351 | H352 | 120.0° | 120.0° |
| C5 | C35 | H351 | H353 | 120.0° | 120.0° |
| C5 | C35 | H352 | H353 | 120.0° | 120.0° |
| C35 | C5 | C6 | C7 | 7.7° | 6.4° |
| C6 | C5 | C35 | H351 | 106.2° | 67.3° |
| C6 | C5 | C35 | H352 | 133.8° | 172.7° |
| C6 | C5 | C35 | H353 | 13.8° | 52.7° |
| C5 | C6 | C7 | C36 | 37.8° | 85.0° |
| C5 | C6 | C7 | C37 | 89.2° | 38.4° |
| C5 | C6 | C7 | C8 | 162.0° | 156.8° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| C6 | C7 | C36 | C37 | 127.9° | 123.4° |
| C6 | C7 | C36 | C8 | 120.3° | 113.0° |
| C6 | C7 | C37 | C8 | 106.1° | 113.1° |
| C6 | C7 | C36 | H361 | 62.0° | 61.5° |
| C6 | C7 | C36 | H362 | 58.0° | 178.6° |
| C6 | C7 | C36 | H363 | 178.0° | 58.5° |
| C6 | C7 | C37 | C38 | 75.0° | 169.5° |
| C6 | C7 | C37 | H371 | 169.2° | 70.4° |
| C6 | C7 | C37 | H372 | 45.0° | 49.5° |
| C6 | C7 | C8 | C41 | 93.4° | 115.2° |
| C6 | C7 | C8 | C9 | 26.2° | 3.2° |
| C6 | C7 | C8 | H8 | 148.2° | 121.3° |
| C36 | C7 | C37 | C8 | 115.6° | 123.5° |
| C7 | C36 | H361 | H362 | 120.0° | 120.0° |
| C7 | C36 | H361 | H363 | 120.0° | 120.0° |
| C7 | C36 | H362 | H363 | 120.0° | 120.1° |
| C36 | C7 | C37 | C38 | 63.3° | 67.0° |
| C36 | C7 | C37 | H371 | 52.5° | 53.0° |
| C36 | C7 | C37 | H372 | 176.7° | 173.0° |
| C36 | C7 | C8 | C41 | 41.8° | 3.1° |
| C36 | C7 | C8 | C9 | 161.5° | 121.4° |
| C36 | C7 | C8 | H8 | 76.5° | 120.4° |
| C37 | C7 | C36 | H361 | 65.9° | 61.9° |
| C37 | C7 | C36 | H362 | 174.1° | 58.0° |
| C37 | C7 | C36 | H363 | 54.1° | 178.0° |
| C7 | C37 | C38 | H371 | 115.7° | 120.0° |
| C7 | C37 | C38 | H372 | 120.0° | 120.0° |
| C7 | C37 | H371 | H372 | 117.5° | 120.0° |
| C7 | C37 | C38 | O39 | 71.2° | 4.1° |
| C7 | C37 | C38 | N40 | 109.0° | 175.9° |
| C37 | C7 | C8 | C41 | 154.8° | 126.5° |
| C37 | C7 | C8 | C9 | 85.6° | 115.1° |
| C37 | C7 | C8 | H8 | 36.4° | 3.0° |
| C8 | C7 | C36 | H361 | 177.7° | 174.5° |
| C8 | C7 | C36 | H362 | 62.3° | 65.6° |
| C8 | C7 | C36 | H363 | 57.7° | 54.4° |
| C8 | C7 | C37 | C38 | 178.9° | 56.5° |
| C8 | C7 | C37 | H371 | 63.2° | 176.5° |
| C8 | C7 | C37 | H372 | 61.1° | 63.5° |
| C7 | C8 | C41 | C9 | 113.7° | 112.9° |
| C7 | C8 | C41 | H8 | 123.8° | 123.5° |
| C7 | C8 | C9 | H8 | 123.5° | 118.2° |
| C7 | C8 | C41 | C42 | 164.2° | 175.0° |
| C7 | C8 | C41 | H411 | 83.8° | 64.9° |
| C7 | C8 | C41 | H412 | 44.2° | 55.0° |
| C7 | C8 | C9 | C10 | 158.4° | 154.5° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| C38 | C37 | H371 | H372 | 117.4° | 120.0° |
| C37 | C38 | O39 | N40 | 179.8° | 180.0° |
| C37 | C38 | N40 | H401 | 179.9° | 0.0° |
| C37 | C38 | N40 | H402 | 0.1° | 180.0° |
| H371 | C37 | C38 | O39 | 173.1° | 116.0° |
| H371 | C37 | C38 | N40 | 6.7° | 64.0° |
| H372 | C37 | C38 | O39 | 48.8° | 124.1° |
| H372 | C37 | C38 | N40 | 131.0° | 55.9° |
| O39 | C38 | N40 | H401 | 0.1° | 180.0° |
| O39 | C38 | N40 | H402 | 179.9° | 0.1° |
| C38 | N40 | H401 | H402 | 180.0° | 179.9° |
| C41 | C8 | C9 | H8 | 118.5° | 123.6° |
| C8 | C41 | C42 | H411 | 112.1° | 120.0° |
| C8 | C41 | C42 | H412 | 120.0° | 120.0° |
| C8 | C41 | H411 | H412 | 115.5° | 120.0° |
| C8 | C41 | C42 | C43 | 171.1° | 180.0° |
| C8 | C41 | C42 | H421 | 52.2° | 60.0° |
| C8 | C41 | C42 | H422 | 68.9° | 60.1° |
| C41 | C8 | C9 | C10 | 83.7° | 87.3° |
| C9 | C8 | C41 | C42 | 50.4° | 72.1° |
| C9 | C8 | C41 | H411 | 162.5° | 47.9° |
| C9 | C8 | C41 | H412 | 69.6° | 167.9° |
| C8 | C9 | C10 | C11 | 179.1° | 175.7° |
| C8 | C9 | C10 | H10 | 0.9° | 4.3° |
| H8 | C8 | C41 | C42 | 72.0° | 51.5° |
| H8 | C8 | C41 | H411 | 40.1° | 171.5° |
| H8 | C8 | C41 | H412 | 168.0° | 68.5° |
| H8 | C8 | C9 | C10 | 34.8° | 36.3° |
| C42 | C41 | H411 | H412 | 115.5° | 120.0° |
| C41 | C42 | C43 | H421 | 119.0° | 120.1° |
| C41 | C42 | C43 | H422 | 120.0° | 119.9° |
| C41 | C42 | H421 | H422 | 119.3° | 120.0° |
| C41 | C42 | C43 | O44 | 102.2° | 0.0° |
| C41 | C42 | C43 | N45 | 78.3° | 179.9° |
| H411 | C41 | C42 | C43 | 76.8° | 60.0° |
| H411 | C41 | C42 | H421 | 164.2° | NaN° |
| H411 | C41 | C42 | H422 | 43.2° | 60.0° |
| H412 | C41 | C42 | C43 | 51.1° | 60.0° |
| H412 | C41 | C42 | H421 | 67.8° | 60.0° |
| H412 | C41 | C42 | H422 | 171.1° | 180.0° |
| C43 | C42 | H421 | H422 | 119.3° | 120.0° |
| C42 | C43 | O44 | N45 | 179.5° | 179.9° |
| C42 | C43 | N45 | H451 | 179.8° | 0.0° |
| C42 | C43 | N45 | H452 | 0.2° | 180.0° |
| H421 | C42 | C43 | O44 | 16.8° | 120.1° |
| H421 | C42 | C43 | N45 | 162.8° | 60.0° |
| H422 | C42 | C43 | O44 | 137.8° | 119.9° |
| H422 | C42 | C43 | N45 | 41.7° | 60.0° |
| O44 | C43 | N45 | H451 | 0.2° | 180.0° |
| O44 | C43 | N45 | H452 | 179.8° | 0.1° |
| C43 | N45 | H451 | H452 | 180.0° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 177.7° | 170.5° |
| C10 | C11 | C12 | C46 | 84.6° | 30.1° |
| C10 | C11 | C12 | C47 | 34.2° | 93.7° |
| C10 | C11 | C12 | C13 | 164.4° | 148.2° |
| H10 | C10 | C11 | C12 | 2.4° | 9.5° |
| C11 | C12 | C46 | C47 | 123.3° | 123.9° |
| C11 | C12 | C46 | C13 | 107.6° | 112.2° |
| C11 | C12 | C47 | C13 | 120.4° | 112.2° |
| C11 | C12 | C46 | H461 | 38.0° | 55.4° |
| C11 | C12 | C46 | H462 | 158.0° | 175.4° |
| C11 | C12 | C46 | H463 | 82.0° | 64.6° |
| C11 | C12 | C47 | H471 | 118.9° | 58.6° |
| C11 | C12 | C47 | H472 | 1.1° | 178.6° |
| C11 | C12 | C47 | H473 | 121.2° | 61.5° |
| C11 | C12 | C13 | C48 | 105.2° | 105.3° |
| C11 | C12 | C13 | C14 | 13.8° | 13.3° |
| C11 | C12 | C13 | H13 | 136.4° | 131.8° |
| C46 | C12 | C47 | C13 | 121.1° | 123.9° |
| C12 | C46 | H461 | H462 | 120.0° | 120.0° |
| C12 | C46 | H461 | H463 | 120.0° | 120.0° |
| C12 | C46 | H462 | H463 | 120.0° | 120.0° |
| C46 | C12 | C47 | H471 | 0.3° | 177.5° |
| C46 | C12 | C47 | H472 | 119.6° | 57.6° |
| C46 | C12 | C47 | H473 | 120.3° | 62.4° |
| C46 | C12 | C13 | C48 | 143.3° | 12.8° |
| C46 | C12 | C13 | C14 | 97.7° | 131.4° |
| C46 | C12 | C13 | H13 | 24.9° | 110.1° |
| C47 | C12 | C46 | H461 | 85.3° | 68.5° |
| C47 | C12 | C46 | H462 | 34.8° | 51.6° |
| C47 | C12 | C46 | H463 | 154.7° | 171.5° |
| C12 | C47 | H471 | H472 | 120.0° | 120.0° |
| C12 | C47 | H471 | H473 | 120.0° | 120.0° |
| C12 | C47 | H472 | H473 | 120.0° | 120.0° |
| C47 | C12 | C13 | C48 | 21.6° | 136.6° |
| C47 | C12 | C13 | C14 | 140.6° | 104.7° |
| C47 | C12 | C13 | H13 | 96.8° | 13.8° |
| C13 | C12 | C46 | H461 | 145.6° | 167.6° |
| C13 | C12 | C46 | H462 | 94.4° | 72.4° |
| C13 | C12 | C46 | H463 | 25.6° | 47.6° |
| C13 | C12 | C47 | H471 | 120.7° | 53.6° |
| C13 | C12 | C47 | H472 | 119.3° | 66.4° |
| C13 | C12 | C47 | H473 | 0.7° | 173.7° |
| C12 | C13 | C48 | C14 | 115.9° | 114.2° |
| C12 | C13 | C48 | H13 | 121.3° | 122.9° |
| C12 | C13 | C14 | H13 | 121.1° | 118.6° |
| C12 | C13 | C48 | C49 | 102.7° | 70.0° |
| C12 | C13 | C48 | H481 | 12.5° | 50.0° |
| C12 | C13 | C48 | H482 | 137.3° | 170.0° |
| C12 | C13 | C14 | C15 | 169.4° | 173.2° |
| H461 | C46 | H462 | H463 | 120.0° | 120.0° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
| C48 | C13 | C14 | H13 | 118.4° | 122.8° |
| C13 | C48 | C49 | H481 | 115.1° | 120.0° |
| C13 | C48 | C49 | H482 | 120.0° | 120.0° |
| C13 | C48 | H481 | H482 | 117.1° | 120.0° |
| C13 | C48 | C49 | C50 | 178.9° | 179.4° |
| C13 | C48 | C49 | H491 | 61.9° | 60.5° |
| C13 | C48 | C49 | H492 | 58.9° | 59.4° |
| C48 | C13 | C14 | C15 | 70.1° | 54.5° |
| C14 | C13 | C48 | C49 | 141.4° | 44.3° |
| C14 | C13 | C48 | H481 | 103.5° | 164.3° |
| C14 | C13 | C48 | H482 | 21.4° | 75.8° |
| C13 | C14 | C15 | C53 | 4.0° | 7.6° |
| C13 | C14 | C15 | C16 | 176.5° | 172.4° |
| H13 | C13 | C48 | C49 | 18.6° | 167.1° |
| H13 | C13 | C48 | H481 | 133.8° | 72.9° |
| H13 | C13 | C48 | H482 | 101.4° | 47.1° |
| H13 | C13 | C14 | C15 | 48.3° | 68.3° |
| C49 | C48 | H481 | H482 | 117.1° | 120.0° |
| C48 | C49 | C50 | H491 | 119.1° | 120.0° |
| C48 | C49 | C50 | H492 | 120.0° | 120.0° |
| C48 | C49 | H491 | H492 | 119.4° | 120.0° |
| C48 | C49 | C50 | O51 | 44.5° | 5.1° |
| C48 | C49 | C50 | N52 | 135.3° | 174.9° |
| H481 | C48 | C49 | C50 | 63.8° | 59.4° |
| H481 | C48 | C49 | H491 | 177.1° | 179.4° |
| H481 | C48 | C49 | H492 | 56.2° | 60.6° |
| H482 | C48 | C49 | C50 | 61.1° | 60.6° |
| H482 | C48 | C49 | H491 | 58.1° | 59.5° |
| H482 | C48 | C49 | H492 | 178.9° | 179.4° |
| C50 | C49 | H491 | H492 | 119.4° | 119.9° |
| C49 | C50 | O51 | N52 | 179.8° | 179.9° |
| C49 | C50 | N52 | H521 | 179.9° | 4.9° |
| C49 | C50 | N52 | H522 | 0.1° | 175.0° |
| H491 | C49 | C50 | O51 | 74.6° | 125.1° |
| H491 | C49 | C50 | N52 | 105.6° | 54.8° |
| H492 | C49 | C50 | O51 | 164.5° | 115.0° |
| H492 | C49 | C50 | N52 | 15.3° | 65.1° |
| O51 | C50 | N52 | H521 | 0.1° | 175.0° |
| O51 | C50 | N52 | H522 | 179.9° | 5.1° |
| C50 | N52 | H521 | H522 | 180.0° | 179.9° |
| C14 | C15 | C53 | C16 | 179.5° | 180.0° |
| C14 | C15 | C53 | H531 | 43.2° | 85.0° |
| C14 | C15 | C53 | H532 | 76.9° | 35.0° |
| C14 | C15 | C53 | H533 | 163.1° | 155.0° |
| C14 | C15 | C16 | C17 | 166.5° | 165.6° |
| C15 | C53 | H531 | H532 | 120.0° | 120.1° |
| C15 | C53 | H531 | H533 | 120.0° | 120.0° |
| C15 | C53 | H532 | H533 | 120.0° | 120.0° |
| C53 | C15 | C16 | C17 | 13.0° | 14.4° |
| C16 | C15 | C53 | H531 | 136.4° | 95.0° |
| C16 | C15 | C53 | H532 | 103.6° | 145.0° |
| C16 | C15 | C53 | H533 | 16.4° | 25.0° |
| C15 | C16 | C17 | C54 | 71.2° | 10.4° |
| C15 | C16 | C17 | C55 | 49.2° | 112.2° |
| C15 | C16 | C17 | C18 | 170.3° | 129.1° |
| H531 | C53 | H532 | H533 | 120.0° | 119.9° |
| C16 | C17 | C54 | C55 | 129.7° | 122.6° |
| C16 | C17 | C54 | C18 | 108.9° | 114.9° |
| C16 | C17 | C55 | C18 | 115.7° | 115.0° |
| C16 | C17 | C54 | H541 | 58.2° | 58.8° |
| C16 | C17 | C54 | H542 | 61.9° | 61.2° |
| C16 | C17 | C54 | H543 | 178.2° | 178.8° |
| C16 | C17 | C55 | C56 | 41.7° | 67.2° |
| C16 | C17 | C55 | H551 | 158.6° | 52.8° |
| C16 | C17 | C55 | H552 | 78.3° | 172.8° |
| C16 | C17 | C18 | C60 | 164.1° | 114.4° |
| C16 | C17 | C18 | C19 | 31.1° | 3.8° |
| C16 | C17 | C18 | H18 | 96.3° | 121.9° |
| C54 | C17 | C55 | C18 | 123.4° | 122.5° |
| C17 | C54 | H541 | H542 | 120.0° | 120.0° |
| C17 | C54 | H541 | H543 | 120.0° | 120.0° |
| C17 | C54 | H542 | H543 | 120.0° | 120.0° |
| C54 | C17 | C55 | C56 | 162.5° | 55.4° |
| C54 | C17 | C55 | H551 | 80.6° | 175.3° |
| C54 | C17 | C55 | H552 | 42.5° | 64.7° |
| C54 | C17 | C18 | C60 | 51.0° | 4.3° |
| C54 | C17 | C18 | C19 | 81.9° | 122.5° |
| C54 | C17 | C18 | H18 | 150.7° | 119.4° |
| C55 | C17 | C54 | H541 | 172.1° | 63.7° |
| C55 | C17 | C54 | H542 | 67.9° | 176.2° |
| C55 | C17 | C54 | H543 | 52.1° | 56.2° |
| C17 | C55 | C56 | H551 | 116.9° | 120.0° |
| C17 | C55 | C56 | H552 | 120.0° | 120.1° |
| C17 | C55 | H551 | H552 | 118.1° | 120.0° |
| C17 | C55 | C56 | C57 | 149.3° | 175.0° |
| C17 | C55 | C56 | H561 | 30.1° | 65.1° |
| C17 | C55 | C56 | H562 | 90.7° | 54.9° |
| C55 | C17 | C18 | C60 | 67.6° | 126.8° |
| C55 | C17 | C18 | C19 | 159.4° | 115.0° |
| C55 | C17 | C18 | H18 | 32.0° | 3.1° |
| C18 | C17 | C54 | H541 | 50.7° | 173.7° |
| C18 | C17 | C54 | H542 | 170.7° | 53.7° |
| C18 | C17 | C54 | H543 | 69.3° | 66.3° |
| C18 | C17 | C55 | C56 | 74.0° | 177.9° |
| C18 | C17 | C55 | H551 | 42.8° | 62.1° |
| C18 | C17 | C55 | H552 | 165.9° | 57.8° |
| C17 | C18 | C60 | C19 | 129.5° | 112.5° |
| C17 | C18 | C60 | H18 | 105.4° | 123.8° |
| C17 | C18 | C19 | H18 | 113.5° | 118.1° |
| C17 | C18 | C60 | C61 | 61.8° | 66.6° |
| C17 | C18 | C60 | H601 | 173.6° | 53.3° |
| C17 | C18 | C60 | H602 | 58.2° | 173.3° |
| C17 | C18 | C19 | H19 | 90.6° | 82.1° |
| H541 | C54 | H542 | H543 | 120.0° | 120.0° |
| C56 | C55 | H551 | H552 | 118.1° | 120.0° |
| C55 | C56 | C57 | H561 | 119.2° | 120.0° |
| C55 | C56 | C57 | H562 | 120.0° | 120.1° |
| C55 | C56 | H561 | H562 | 119.5° | 120.0° |
| C55 | C56 | C57 | O58 | 103.9° | 28.3° |
| C55 | C56 | C57 | N59 | 76.0° | 151.7° |
| H551 | C55 | C56 | C57 | 93.8° | 55.0° |
| H551 | C55 | C56 | H561 | 147.0° | 174.9° |
| H551 | C55 | C56 | H562 | 26.2° | 65.1° |
| H552 | C55 | C56 | C57 | 29.3° | 65.0° |
| H552 | C55 | C56 | H561 | 89.9° | 55.0° |
| H552 | C55 | C56 | H562 | 149.3° | 174.9° |
| C57 | C56 | H561 | H562 | 119.5° | 120.0° |
| C56 | C57 | O58 | N59 | 179.9° | 180.0° |
| C56 | C57 | N59 | C1P | 179.7° | 174.9° |
| C56 | C57 | N59 | H59 | 0.3° | 5.1° |
| H561 | C56 | C57 | O58 | 15.3° | 148.3° |
| H561 | C56 | C57 | N59 | 164.8° | 31.8° |
| H562 | C56 | C57 | O58 | 136.1° | 91.8° |
| H562 | C56 | C57 | N59 | 44.0° | 88.2° |
| O58 | C57 | N59 | C1P | 0.2° | 5.1° |
| O58 | C57 | N59 | H59 | 179.8° | 174.9° |
| C57 | N59 | C1P | H59 | 180.0° | 180.0° |
| C57 | N59 | C1P | C2P | 83.6° | 175.0° |
| C57 | N59 | C1P | H1P1 | 158.3° | 65.0° |
| C57 | N59 | C1P | H1P2 | 36.4° | 55.0° |
| N59 | C1P | C2P | H1P1 | 118.1° | 120.0° |
| N59 | C1P | C2P | H1P2 | 120.0° | 120.0° |
| N59 | C1P | H1P1 | H1P2 | 118.8° | 120.0° |
| N59 | C1P | C2P | C3P | 179.3° | 174.9° |
| N59 | C1P | C2P | O3 | 61.9° | 65.1° |
| N59 | C1P | C2P | H2P | 58.9° | 54.8° |
| H59 | N59 | C1P | C2P | 96.4° | 5.0° |
| H59 | N59 | C1P | H1P1 | 21.7° | 115.0° |
| H59 | N59 | C1P | H1P2 | 143.6° | 125.0° |
| C60 | C18 | C19 | H18 | 105.0° | 123.7° |
| C18 | C60 | C61 | H601 | 111.8° | 119.9° |
| C18 | C60 | C61 | H602 | 120.0° | 120.1° |
| C18 | C60 | H601 | H602 | 115.3° | 120.0° |
| C18 | C60 | C61 | O63 | 33.2° | 3.5° |
| C18 | C60 | C61 | N62 | 155.1° | 176.6° |
| C60 | C18 | C19 | H19 | 51.0° | 36.1° |
| C19 | C18 | C60 | C61 | 168.6° | 179.1° |
| C19 | C18 | C60 | H601 | 56.9° | 59.2° |
| C19 | C18 | C60 | H602 | 71.4° | 60.8° |
| H18 | C18 | C60 | C61 | 43.5° | 57.2° |
| H18 | C18 | C60 | H601 | 68.3° | 177.1° |
| H18 | C18 | C60 | H602 | 163.5° | 62.9° |
| H18 | C18 | C19 | H19 | 155.9° | 159.8° |
| C61 | C60 | H601 | H602 | 115.4° | 120.0° |
| C60 | C61 | O63 | N62 | 171.5° | 179.9° |
| C60 | C61 | N62 | H621 | 175.8° | 0.0° |
| C60 | C61 | N62 | H622 | 4.2° | 179.9° |
| H601 | C60 | C61 | O63 | 78.6° | 123.4° |
| H601 | C60 | C61 | N62 | 93.1° | 56.6° |
| H602 | C60 | C61 | O63 | 153.2° | 116.5° |
| H602 | C60 | C61 | N62 | 35.1° | 63.4° |
| O63 | C61 | N62 | H621 | 4.6° | 179.9° |
| O63 | C61 | N62 | H622 | 175.4° | 0.0° |
| C61 | N62 | H621 | H622 | 180.0° | 179.9° |
| C2P | C1P | H1P1 | H1P2 | 118.8° | 120.0° |
| C1P | C2P | C3P | O3 | 120.0° | 120.0° |
| C1P | C2P | C3P | H2P | 119.3° | 120.1° |
| C1P | C2P | O3 | H2P | 119.3° | 120.0° |
| C1P | C2P | C3P | H3P1 | 52.7° | 180.0° |
| C1P | C2P | C3P | H3P2 | 172.7° | 60.0° |
| C1P | C2P | C3P | H3P3 | 67.3° | 60.0° |
| C1P | C2P | O3 | P | 98.1° | 127.0° |
| H1P1 | C1P | C2P | C3P | 62.6° | 65.1° |
| H1P1 | C1P | C2P | O3 | 56.2° | 54.8° |
| H1P1 | C1P | C2P | H2P | 177.0° | 174.8° |
| H1P2 | C1P | C2P | C3P | 59.3° | 54.9° |
| H1P2 | C1P | C2P | O3 | 178.1° | 174.9° |
| H1P2 | C1P | C2P | H2P | 61.1° | 65.2° |
| C3P | C2P | O3 | H2P | 120.4° | 120.0° |
| C2P | C3P | H3P1 | H3P2 | 120.0° | 120.0° |
| C2P | C3P | H3P1 | H3P3 | 120.0° | 120.0° |
| C2P | C3P | H3P2 | H3P3 | 120.0° | 120.0° |
| C3P | C2P | O3 | P | 141.6° | 113.0° |
| O3 | C2P | C3P | H3P1 | 172.7° | 60.0° |
| O3 | C2P | C3P | H3P2 | 67.3° | 179.9° |
| O3 | C2P | C3P | H3P3 | 52.7° | 60.0° |
| C2P | O3 | P | O4 | 1.5° | 63.3° |
| C2P | O3 | P | O5 | 131.2° | 56.7° |
| C2P | O3 | P | O2 | 111.9° | 176.7° |
| H2P | C2P | C3P | H3P1 | 66.6° | 59.9° |
| H2P | C2P | C3P | H3P2 | 53.4° | 60.0° |
| H2P | C2P | C3P | H3P3 | 173.4° | 179.9° |
| H2P | C2P | O3 | P | 21.2° | 7.0° |
| H3P1 | C3P | H3P2 | H3P3 | 120.0° | 120.0° |
| O3 | P | O4 | O5 | 125.4° | 120.0° |
| O3 | P | O4 | O2 | 109.2° | 120.0° |
| O3 | P | O5 | O2 | 110.8° | 120.0° |
| O3 | P | O2 | C3R | 65.3° | 176.5° |
| O4 | P | O5 | O2 | 124.0° | 120.0° |
| O4 | P | O2 | C3R | 179.9° | 63.5° |
| O5 | P | O2 | C3R | 50.8° | 56.6° |
| P | O2 | C3R | C2R | 102.9° | 116.6° |
| P | O2 | C3R | C4R | 137.7° | 128.6° |
| P | O2 | C3R | H3R | 16.1° | 5.9° |
| O2 | C3R | C2R | C4R | 120.9° | 118.7° |
| O2 | C3R | C2R | H3R | 117.4° | 122.6° |
| O2 | C3R | C4R | H3R | 117.5° | 122.6° |
| O2 | C3R | C2R | O7R | 3.0° | 0.1° |
| O2 | C3R | C2R | C1R | 119.3° | 118.6° |
| O2 | C3R | C2R | H2R | 118.1° | 122.8° |
| O2 | C3R | C4R | O6R | 143.6° | 142.5° |
| O2 | C3R | C4R | C5R | 96.2° | 98.6° |
| O2 | C3R | C4R | H4R | 19.5° | 23.8° |
| C2R | C3R | C4R | H3R | 119.2° | 118.7° |
| C3R | C2R | O7R | C1R | 117.4° | 114.7° |
| C3R | C2R | O7R | H2R | 120.2° | 122.6° |
| C3R | C2R | C1R | H2R | 120.5° | 118.6° |
| C3R | C2R | O7R | H7R | 63.5° | 180.0° |
| C3R | C2R | C1R | O6R | 23.7° | 24.0° |
| C3R | C2R | C1R | N1B | 94.9° | 94.9° |
| C3R | C2R | C1R | H1R | 148.5° | 142.8° |
| C2R | C3R | C4R | O6R | 20.3° | 23.8° |
| C2R | C3R | C4R | C5R | 140.5° | 142.7° |
| C2R | C3R | C4R | H4R | 103.8° | 94.9° |
| C4R | C3R | C2R | O7R | 123.9° | 118.8° |
| C4R | C3R | C2R | C1R | 1.7° | 0.1° |
| C4R | C3R | C2R | H2R | 121.0° | 118.6° |
| C3R | C4R | O6R | C1R | 36.7° | 40.3° |
| C3R | C4R | O6R | C5R | 124.7° | 119.1° |
| C3R | C4R | O6R | H4R | 119.5° | 118.7° |
| C3R | C4R | C5R | H4R | 119.4° | 122.3° |
| C3R | C4R | C5R | O8R | 58.5° | 179.6° |
| C3R | C4R | C5R | H5R1 | 58.5° | 60.4° |
| C3R | C4R | C5R | H5R2 | 178.5° | 59.6° |
| H3R | C3R | C2R | O7R | 114.4° | 122.4° |
| H3R | C3R | C2R | C1R | 123.3° | 118.8° |
| H3R | C3R | C2R | H2R | 0.7° | 0.2° |
| H3R | C3R | C4R | O6R | 98.9° | 94.9° |
| H3R | C3R | C4R | C5R | 21.3° | 24.0° |
| H3R | C3R | C4R | H4R | 137.0° | 146.4° |
| O7R | C2R | C1R | H2R | 115.2° | 122.7° |
| O7R | C2R | C1R | O6R | 148.1° | 142.6° |
| O7R | C2R | C1R | N1B | 29.4° | 23.8° |
| O7R | C2R | C1R | H1R | 87.1° | 98.5° |
| C1R | C2R | O7R | H7R | 53.9° | 65.3° |
| C2R | C1R | O6R | N1B | 125.7° | 118.9° |
| C2R | C1R | O6R | H1R | 117.7° | 118.8° |
| C2R | C1R | N1B | H1R | 117.5° | 122.3° |
| C2R | C1R | O6R | C4R | 38.7° | 40.4° |
| C2R | C1R | N1B | C8B | 144.4° | 81.5° |
| C2R | C1R | N1B | C2B | 33.8° | 98.8° |
| H2R | C2R | O7R | H7R | 176.3° | 57.4° |
| H2R | C2R | C1R | O6R | 96.8° | 94.7° |
| H2R | C2R | C1R | N1B | 144.6° | 146.4° |
| H2R | C2R | C1R | H1R | 28.0° | 24.2° |
| O6R | C1R | N1B | H1R | 124.8° | 122.3° |
| C1R | O6R | C4R | C5R | 161.5° | 159.4° |
| C1R | O6R | C4R | H4R | 82.8° | 78.4° |
| O6R | C1R | N1B | C8B | 97.9° | 163.1° |
| O6R | C1R | N1B | C2B | 83.9° | 16.7° |
| N1B | C1R | O6R | C4R | 87.0° | 78.4° |
| C1R | N1B | C8B | C2B | 178.6° | 179.8° |
| C1R | N1B | C8B | C9B | 179.7° | 179.9° |
| C1R | N1B | C8B | C7B | 3.2° | 0.7° |
| C1R | N1B | C2B | N3B | 179.4° | 180.0° |
| C1R | N1B | C2B | H2B | 0.6° | 0.1° |
| H1R | C1R | O6R | C4R | 156.3° | 159.3° |
| H1R | C1R | N1B | C8B | 26.9° | 40.8° |
| H1R | C1R | N1B | C2B | 151.3° | 139.0° |
| O6R | C4R | C5R | H4R | 124.1° | 122.3° |
| O6R | C4R | C5R | O8R | 58.0° | 64.2° |
| O6R | C4R | C5R | H5R1 | 175.1° | 175.8° |
| O6R | C4R | C5R | H5R2 | 62.0° | 55.8° |
| C4R | C5R | O8R | H5R1 | 117.1° | 120.0° |
| C4R | C5R | O8R | H5R2 | 120.0° | 120.0° |
| C4R | C5R | H5R1 | H5R2 | 118.2° | 120.0° |
| C4R | C5R | O8R | H8R | 37.5° | 175.0° |
| H4R | C4R | C5R | O8R | 177.9° | 58.1° |
| H4R | C4R | C5R | H5R1 | 60.8° | 61.9° |
| H4R | C4R | C5R | H5R2 | 62.1° | 178.1° |
| O8R | C5R | H5R1 | H5R2 | 118.2° | 120.1° |
| H5R1 | C5R | O8R | H8R | 154.6° | 65.1° |
| H5R2 | C5R | O8R | H8R | 82.4° | 55.0° |
| N1B | C8B | C9B | C7B | 177.0° | 179.3° |
| C8B | N1B | C2B | N3B | 2.0° | 0.2° |
| C8B | N1B | C2B | H2B | 177.9° | 179.8° |
| N1B | C8B | C9B | N3B | 1.1° | 0.4° |
| N1B | C8B | C9B | C4B | 174.9° | 179.9° |
| N1B | C8B | C7B | C6B | 174.3° | 179.7° |
| N1B | C8B | C7B | H7B | 5.7° | 0.6° |
| C2B | N1B | C8B | C9B | 1.8° | 0.4° |
| C2B | N1B | C8B | C7B | 178.2° | 179.6° |
| N1B | C2B | N3B | H2B | 180.0° | 179.9° |
| N1B | C2B | N3B | C9B | 1.3° | 0.0° |
| C8B | C9B | N3B | C2B | 0.1° | 0.2° |
| C8B | C9B | N3B | C4B | 175.0° | 179.7° |
| C8B | C9B | C4B | C5B | 11.8° | 0.3° |
| C8B | C9B | C4B | H4B | 168.1° | 179.7° |
| C9B | C8B | C7B | C6B | 9.7° | 0.5° |
| C9B | C8B | C7B | H7B | 170.3° | 179.7° |
| C7B | C8B | C9B | N3B | 178.1° | 179.7° |
| C7B | C8B | C9B | C4B | 2.1° | 0.5° |
| C8B | C7B | C6B | C5B | 12.5° | 0.3° |
| C8B | C7B | C6B | H7B | 180.0° | 179.7° |
| C8B | C7B | C6B | H6B | 167.5° | 179.7° |
| C2B | N3B | C9B | C4B | 175.1° | 180.0° |
| H2B | C2B | N3B | C9B | 178.6° | 179.9° |
| N3B | C9B | C4B | C5B | 173.5° | 180.0° |
| N3B | C9B | C4B | H4B | 6.6° | 0.1° |
| C9B | C4B | C5B | H4B | 180.0° | 180.0° |
| C9B | C4B | C5B | O5M | 113.9° | 180.0° |
| C9B | C4B | C5B | C6B | 9.5° | 0.0° |
| C4B | C5B | O5M | C6B | 132.2° | 180.0° |
| C4B | C5B | O5M | H5M | 34.6° | 90.0° |
| C4B | C5B | C6B | C7B | 3.5° | 0.1° |
| C4B | C5B | C6B | H6B | 176.5° | 180.0° |
| H4B | C4B | C5B | O5M | 66.1° | 0.0° |
| H4B | C4B | C5B | C6B | 170.5° | 180.0° |
| O5M | C5B | C6B | C7B | 140.5° | 180.0° |
| O5M | C5B | C6B | H6B | 39.5° | 0.0° |
| C6B | C5B | O5M | H5M | 166.9° | 89.9° |
| C5B | C6B | C7B | H6B | 180.0° | 179.9° |
| C5B | C6B | C7B | H7B | 167.5° | 180.0° |
| H6B | C6B | C7B | H7B | 12.5° | 0.0° |
