COB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CO | N21 | sing | 1.80Å | 1.84Å | |
| CO | N22 | sing | 1.83Å | 1.85Å | |
| CO | N23 | sing | 1.81Å | 1.98Å | |
| CO | N24 | sing | 1.80Å | 1.91Å | |
| CO | C1A | sing | 1.88Å | 2.08Å | |
| N21 | C1 | sing | 1.45Å | 1.32Å | |
| N21 | C4 | doub | 1.32Å | 1.28Å | |
| N22 | C6 | sing | 1.34Å | 1.38Å | |
| N22 | C9 | doub | 1.32Å | 1.43Å | |
| N23 | C11 | sing | 1.35Å | 1.37Å | |
| N23 | C14 | doub | 1.31Å | 1.40Å | |
| N24 | C16 | sing | 1.32Å | 1.35Å | |
| N24 | C19 | doub | 1.27Å | 1.42Å | |
| C1 | C20 | sing | 1.53Å | 1.74Å | |
| C1 | C2 | sing | 1.53Å | 1.60Å | |
| C1 | C19 | sing | 1.49Å | 1.43Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C2 | C25 | sing | 1.52Å | 1.58Å | |
| C2 | C26 | sing | 1.52Å | 1.50Å | |
| C2 | C3 | sing | 1.56Å | 1.46Å | |
| 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 | 1.48Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O28 | doub | 1.21Å | 1.29Å | |
| C27 | N29 | sing | 1.35Å | 1.28Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| N29 | H292 | sing | 0.97Å | 1.00Å | |
| C3 | C30 | sing | 1.53Å | 1.48Å | |
| C3 | C4 | sing | 1.50Å | 1.56Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.45Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.55Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | O34 | doub | 1.21Å | 1.27Å | |
| C32 | N33 | sing | 1.35Å | 1.26Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N33 | H332 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | |
| C5 | C35 | sing | 1.50Å | 1.57Å | |
| C5 | C6 | doub | 1.37Å | 1.39Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.52Å | 1.59Å | |
| C7 | C36 | sing | 1.52Å | 1.55Å | |
| C7 | C37 | sing | 1.52Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| 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 | 1.32Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | O39 | doub | 1.21Å | 1.22Å | |
| C38 | N40 | sing | 1.35Å | 1.23Å | |
| N40 | H401 | sing | 0.97Å | 1.00Å | |
| N40 | H402 | sing | 0.97Å | 1.00Å | |
| C8 | C41 | sing | 1.53Å | 1.46Å | |
| C8 | C9 | sing | 1.52Å | 1.46Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.44Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.65Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | O44 | doub | 1.21Å | 1.25Å | |
| C43 | N45 | sing | 1.35Å | 1.23Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å | |
| N45 | H452 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.39Å | 1.34Å | |
| C10 | C11 | doub | 1.37Å | 1.34Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.51Å | 1.56Å | |
| C12 | C46 | sing | 1.52Å | 1.52Å | |
| C12 | C47 | sing | 1.52Å | 1.57Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| 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 | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.60Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.56Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.51Å | 1.39Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | O51 | doub | 1.21Å | 1.25Å | |
| C50 | N52 | sing | 1.35Å | 1.22Å | |
| N52 | H521 | sing | 0.97Å | 1.00Å | |
| N52 | H522 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.40Å | 1.42Å | |
| C15 | C53 | sing | 1.51Å | 1.56Å | |
| C15 | C16 | doub | 1.34Å | 1.41Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.52Å | 1.52Å | |
| C17 | C54 | sing | 1.52Å | 1.57Å | |
| C17 | C55 | sing | 1.52Å | 1.59Å | |
| C17 | C18 | sing | 1.55Å | 1.49Å | |
| 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 | 1.52Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.51Å | 1.44Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C57 | O58 | doub | 1.21Å | 1.21Å | |
| C57 | N59 | sing | 1.35Å | 1.34Å | |
| N59 | C1P | sing | 1.46Å | 1.45Å | |
| N59 | H59 | sing | 0.97Å | 1.00Å | |
| C18 | C60 | sing | 1.53Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C60 | C61 | sing | 1.51Å | 1.50Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C61 | O63 | doub | 1.21Å | 1.30Å | |
| C61 | N62 | sing | 1.35Å | 1.24Å | |
| N62 | H621 | sing | 0.97Å | 1.00Å | |
| N62 | H622 | sing | 0.97Å | 1.00Å | |
| C1P | C2P | sing | 1.53Å | 1.40Å | |
| C1P | H1P1 | sing | 1.09Å | 1.10Å | |
| C1P | H1P2 | sing | 1.09Å | 1.10Å | |
| C2P | C3P | sing | 1.53Å | 1.52Å | |
| C2P | O3 | sing | 1.43Å | 1.50Å | |
| 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 | 1.64Å | |
| O4 | P | doub | 1.61Å | 1.44Å | |
| O5 | P | sing | 1.48Å | 1.41Å | |
| O5 | HOP5 | sing | 6.89Å | 0.95Å | |
| P | O2 | sing | 1.61Å | 1.60Å | |
| O2 | C3R | sing | 1.43Å | 1.62Å | |
| C3R | C2R | sing | 1.55Å | 1.50Å | |
| C3R | C4R | sing | 1.54Å | 1.53Å | |
| C3R | H3R | sing | 1.09Å | 1.10Å | |
| C2R | O7R | sing | 1.43Å | 1.46Å | |
| C2R | C1R | sing | 1.54Å | 1.56Å | |
| C2R | H2R | sing | 1.09Å | 1.10Å | |
| O7R | HOR7 | sing | 0.97Å | 0.95Å | |
| C1R | O6R | sing | 1.44Å | 1.53Å | |
| C1R | N1B | sing | 1.46Å | 1.50Å | |
| C1R | H1R | sing | 1.09Å | 1.10Å | |
| O6R | C4R | sing | 1.45Å | 1.38Å | |
| C4R | C5R | sing | 1.53Å | 1.41Å | |
| C4R | H4R | sing | 1.09Å | 1.10Å | |
| C5R | O8R | sing | 1.43Å | 1.29Å | |
| C5R | H5R1 | sing | 1.09Å | 1.10Å | |
| C5R | H5R2 | sing | 1.09Å | 1.10Å | |
| O8R | HOR8 | sing | 0.97Å | 0.95Å | |
| N1B | C8B | sing | 1.38Å | 1.37Å | Aromatic |
| N1B | C2B | sing | 1.36Å | 1.33Å | Aromatic |
| C8B | C9B | doub | 1.41Å | 1.37Å | Aromatic |
| C8B | C7B | sing | 1.39Å | 1.46Å | Aromatic |
| C2B | N3B | doub | 1.30Å | 1.31Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| N3B | C9B | sing | 1.36Å | 1.39Å | Aromatic |
| C9B | C4B | sing | 1.40Å | 1.53Å | Aromatic |
| C4B | C5B | doub | 1.37Å | 1.47Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | C5M | sing | 1.51Å | 1.39Å | |
| C5B | C6B | sing | 1.39Å | 1.44Å | Aromatic |
| C5M | HM51 | sing | 1.09Å | 1.10Å | |
| C5M | HM52 | sing | 1.09Å | 1.10Å | |
| C5M | HM53 | sing | 1.09Å | 1.10Å | |
| C6B | C6M | sing | 1.51Å | 1.60Å | |
| C6B | C7B | doub | 1.38Å | 1.43Å | Aromatic |
| C6M | HM61 | sing | 1.09Å | 1.10Å | |
| C6M | HM62 | sing | 1.09Å | 1.10Å | |
| C6M | HM63 | sing | 1.09Å | 1.10Å | |
| C7B | H7B | sing | 1.08Å | 1.08Å | |
| C1A | H1A1 | sing | 1.09Å | 1.10Å | |
| C1A | H1A2 | sing | 1.09Å | 1.10Å | |
| C1A | H1A3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | CO | N22 | 98.5° | 83.5° |
| N21 | CO | N23 | 162.9° | 147.0° |
| N21 | CO | N24 | 79.3° | 85.7° |
| N21 | CO | C1A | 81.1° | 106.2° |
| CO | N21 | C1 | 116.9° | 109.9° |
| CO | N21 | C4 | 124.8° | 140.0° |
| N22 | CO | N23 | 86.2° | 94.9° |
| N22 | CO | N24 | 159.8° | 169.1° |
| N22 | CO | C1A | 82.4° | 92.5° |
| CO | N22 | C6 | 121.3° | 125.1° |
| CO | N22 | C9 | 127.7° | 124.3° |
| N23 | CO | N24 | 90.7° | 93.0° |
| N23 | CO | C1A | 83.3° | 106.8° |
| CO | N23 | C11 | 128.9° | 127.1° |
| CO | N23 | C14 | 122.7° | 121.6° |
| N24 | CO | C1A | 77.4° | 92.5° |
| CO | N24 | C16 | 130.0° | 125.5° |
| CO | N24 | C19 | 109.7° | 118.2° |
| CO | C1A | H1A1 | 109.5° | 109.5° |
| CO | C1A | H1A2 | 109.5° | 109.4° |
| CO | C1A | H1A3 | 109.4° | 109.5° |
| C1 | N21 | C4 | 115.7° | 110.1° |
| N21 | C1 | C20 | 107.4° | 109.8° |
| N21 | C1 | C2 | 103.2° | 105.1° |
| N21 | C1 | C19 | 99.6° | 107.0° |
| N21 | C4 | C3 | 110.2° | 110.8° |
| N21 | C4 | C5 | 126.3° | 117.2° |
| C6 | N22 | C9 | 110.0° | 110.7° |
| N22 | C6 | C5 | 126.4° | 129.5° |
| N22 | C6 | C7 | 101.1° | 109.1° |
| N22 | C9 | C8 | 114.3° | 110.7° |
| N22 | C9 | C10 | 125.4° | 128.3° |
| C11 | N23 | C14 | 106.1° | 111.2° |
| N23 | C11 | C10 | 124.6° | 124.4° |
| N23 | C11 | C12 | 113.8° | 110.5° |
| N23 | C14 | C13 | 108.7° | 110.6° |
| N23 | C14 | C15 | 126.7° | 126.5° |
| C16 | N24 | C19 | 120.1° | 116.2° |
| N24 | C16 | C15 | 124.8° | 119.8° |
| N24 | C16 | C17 | 103.8° | 106.6° |
| N24 | C19 | C1 | 110.9° | 110.3° |
| N24 | C19 | C18 | 96.0° | 108.2° |
| C20 | C1 | C2 | 102.5° | 109.9° |
| C20 | C1 | C19 | 118.9° | 109.7° |
| C1 | C20 | H201 | 109.5° | 109.5° |
| C1 | C20 | H202 | 109.5° | 109.5° |
| C1 | C20 | H203 | 109.4° | 109.4° |
| C2 | C1 | C19 | 123.2° | 115.2° |
| C1 | C2 | C25 | 112.7° | 111.3° |
| C1 | C2 | C26 | 107.0° | 111.2° |
| C1 | C2 | C3 | 103.7° | 99.1° |
| C1 | C19 | C18 | 123.0° | 141.3° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| C25 | C2 | C26 | 110.1° | 111.7° |
| C25 | C2 | C3 | 115.5° | 111.5° |
| C2 | C25 | H251 | 109.5° | 109.5° |
| C2 | C25 | H252 | 109.5° | 109.4° |
| C2 | C25 | H253 | 109.5° | 109.5° |
| C26 | C2 | C3 | 107.3° | 111.4° |
| C2 | C26 | C27 | 121.4° | 109.4° |
| C2 | C26 | H261 | 105.7° | 109.5° |
| C2 | C26 | H262 | 102.9° | 109.5° |
| C2 | C3 | C30 | 120.6° | 110.5° |
| C2 | C3 | C4 | 100.0° | 102.3° |
| C2 | C3 | H3 | 110.2° | 111.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| C27 | C26 | H261 | 105.7° | 109.5° |
| C27 | C26 | H262 | 102.8° | 109.4° |
| C26 | C27 | O28 | 108.9° | 120.0° |
| C26 | C27 | N29 | 118.8° | 120.0° |
| H261 | C26 | H262 | 119.5° | 109.5° |
| O28 | C27 | N29 | 132.2° | 120.0° |
| C27 | N29 | H291 | 107.8° | 120.0° |
| C27 | N29 | H292 | 126.1° | 120.0° |
| H291 | N29 | H292 | 126.1° | 120.0° |
| C30 | C3 | C4 | 113.4° | 110.2° |
| C30 | C3 | H3 | 95.9° | 111.1° |
| C3 | C30 | C31 | 103.7° | 109.5° |
| C3 | C30 | H301 | 111.4° | 109.5° |
| C3 | C30 | H302 | 112.7° | 109.5° |
| C4 | C3 | H3 | 118.0° | 111.0° |
| C3 | C4 | C5 | 123.3° | 132.0° |
| C31 | C30 | H301 | 111.5° | 109.5° |
| C31 | C30 | H302 | 112.6° | 109.4° |
| C30 | C31 | C32 | 107.4° | 109.5° |
| C30 | C31 | H311 | 110.2° | 109.5° |
| C30 | C31 | H312 | 110.6° | 109.5° |
| H301 | C30 | H302 | 105.1° | 109.4° |
| C32 | C31 | H311 | 110.2° | 109.5° |
| C32 | C31 | H312 | 110.6° | 109.5° |
| C31 | C32 | O34 | 119.6° | 120.0° |
| C31 | C32 | N33 | 120.0° | 120.0° |
| H311 | C31 | H312 | 107.9° | 109.4° |
| O34 | C32 | N33 | 120.4° | 120.0° |
| C32 | N33 | H331 | 108.6° | 120.0° |
| C32 | N33 | H332 | 125.7° | 120.0° |
| H331 | N33 | H332 | 125.7° | 120.0° |
| C4 | C5 | C35 | 115.1° | 122.3° |
| C4 | C5 | C6 | 122.1° | 115.3° |
| C35 | C5 | C6 | 117.3° | 122.5° |
| C5 | C35 | H351 | 109.5° | 109.5° |
| C5 | C35 | H352 | 109.5° | 109.5° |
| C5 | C35 | H353 | 109.5° | 109.5° |
| C5 | C6 | C7 | 132.6° | 121.3° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.4° | 109.4° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| C6 | C7 | C36 | 106.6° | 110.8° |
| C6 | C7 | C37 | 107.5° | 111.0° |
| C6 | C7 | C8 | 108.4° | 101.1° |
| C36 | C7 | C37 | 111.7° | 111.3° |
| C36 | C7 | C8 | 115.0° | 110.9° |
| C7 | C36 | H361 | 109.5° | 109.5° |
| C7 | C36 | H362 | 109.5° | 109.5° |
| C7 | C36 | H363 | 109.4° | 109.5° |
| C37 | C7 | C8 | 107.3° | 111.2° |
| C7 | C37 | C38 | 120.7° | 109.5° |
| C7 | C37 | H371 | 105.9° | 109.5° |
| C7 | C37 | H372 | 103.3° | 109.5° |
| C7 | C8 | C41 | 119.4° | 110.7° |
| C7 | C8 | C9 | 95.7° | 102.4° |
| C7 | C8 | H8 | 112.7° | 111.2° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| C38 | C37 | H371 | 105.9° | 109.5° |
| C38 | C37 | H372 | 103.3° | 109.5° |
| C37 | C38 | O39 | 106.4° | 120.0° |
| C37 | C38 | N40 | 129.1° | 120.0° |
| H371 | C37 | H372 | 118.7° | 109.4° |
| O39 | C38 | N40 | 124.4° | 120.0° |
| C38 | N40 | H401 | 110.5° | 119.9° |
| C38 | N40 | H402 | 124.7° | 120.0° |
| H401 | N40 | H402 | 124.8° | 120.1° |
| C41 | C8 | C9 | 110.3° | 110.3° |
| C41 | C8 | H8 | 98.8° | 111.2° |
| C8 | C41 | C42 | 118.0° | 109.5° |
| C8 | C41 | H411 | 106.7° | 109.5° |
| C8 | C41 | H412 | 104.8° | 109.5° |
| C9 | C8 | H8 | 121.5° | 110.7° |
| C8 | C9 | C10 | 120.2° | 121.0° |
| C42 | C41 | H411 | 106.7° | 109.5° |
| C42 | C41 | H412 | 104.8° | 109.5° |
| C41 | C42 | C43 | 105.6° | 109.5° |
| C41 | C42 | H421 | 110.8° | 109.5° |
| C41 | C42 | H422 | 111.6° | 109.5° |
| H411 | C41 | H412 | 116.4° | 109.4° |
| C43 | C42 | H421 | 110.8° | 109.5° |
| C43 | C42 | H422 | 111.6° | 109.4° |
| C42 | C43 | O44 | 122.7° | 120.0° |
| C42 | C43 | N45 | 123.9° | 120.0° |
| H421 | C42 | H422 | 106.5° | 109.4° |
| O44 | C43 | N45 | 113.4° | 120.0° |
| C43 | N45 | H451 | 108.4° | 120.0° |
| C43 | N45 | H452 | 125.8° | 120.0° |
| H451 | N45 | H452 | 125.8° | 120.0° |
| C9 | C10 | C11 | 121.0° | 119.4° |
| C9 | C10 | H10 | 119.5° | 120.2° |
| C11 | C10 | H10 | 119.5° | 120.3° |
| C10 | C11 | C12 | 121.3° | 125.1° |
| C11 | C12 | C46 | 106.1° | 110.8° |
| C11 | C12 | C47 | 114.9° | 110.8° |
| C11 | C12 | C13 | 99.7° | 101.4° |
| C46 | C12 | C47 | 106.6° | 111.2° |
| C46 | C12 | C13 | 110.1° | 111.1° |
| C12 | C46 | H461 | 109.5° | 109.5° |
| C12 | C46 | H462 | 109.4° | 109.5° |
| C12 | C46 | H463 | 109.4° | 109.5° |
| C47 | C12 | C13 | 118.9° | 111.1° |
| C12 | C47 | H471 | 109.5° | 109.5° |
| C12 | C47 | H472 | 109.4° | 109.5° |
| C12 | C47 | H473 | 109.4° | 109.5° |
| C12 | C13 | C48 | 112.0° | 110.6° |
| C12 | C13 | C14 | 102.5° | 102.7° |
| C12 | C13 | H13 | 113.1° | 111.3° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.5° | 109.4° |
| H462 | C46 | H463 | 109.5° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H471 | C47 | H473 | 109.5° | 109.4° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| C48 | C13 | C14 | 111.5° | 110.1° |
| C48 | C13 | H13 | 104.4° | 111.2° |
| C13 | C48 | C49 | 105.4° | 109.5° |
| C13 | C48 | H481 | 110.9° | 109.5° |
| C13 | C48 | H482 | 111.7° | 109.5° |
| C14 | C13 | H13 | 113.6° | 110.6° |
| C13 | C14 | C15 | 124.4° | 122.9° |
| C49 | C48 | H481 | 110.8° | 109.5° |
| C49 | C48 | H482 | 111.7° | 109.4° |
| C48 | C49 | C50 | 109.1° | 109.5° |
| C48 | C49 | H491 | 109.6° | 109.5° |
| C48 | C49 | H492 | 109.7° | 109.4° |
| H481 | C48 | H482 | 106.4° | 109.5° |
| C50 | C49 | H491 | 109.6° | 109.5° |
| C50 | C49 | H492 | 109.7° | 109.5° |
| C49 | C50 | O51 | 111.6° | 120.0° |
| C49 | C50 | N52 | 119.7° | 120.0° |
| H491 | C49 | H492 | 109.1° | 109.5° |
| O51 | C50 | N52 | 128.7° | 120.0° |
| C50 | N52 | H521 | 109.7° | 120.0° |
| C50 | N52 | H522 | 125.2° | 120.0° |
| H521 | N52 | H522 | 125.1° | 120.0° |
| C14 | C15 | C53 | 112.2° | 119.2° |
| C14 | C15 | C16 | 120.8° | 121.2° |
| C53 | C15 | C16 | 126.8° | 119.6° |
| C15 | C53 | H531 | 109.5° | 109.5° |
| C15 | C53 | H532 | 109.5° | 109.5° |
| C15 | C53 | H533 | 109.5° | 109.5° |
| C15 | C16 | C17 | 131.3° | 133.3° |
| H531 | C53 | H532 | 109.4° | 109.5° |
| H531 | C53 | H533 | 109.5° | 109.4° |
| H532 | C53 | H533 | 109.5° | 109.4° |
| C16 | C17 | C54 | 105.2° | 111.1° |
| C16 | C17 | C55 | 113.9° | 111.2° |
| C16 | C17 | C18 | 101.8° | 100.3° |
| C54 | C17 | C55 | 107.5° | 111.6° |
| C54 | C17 | C18 | 117.4° | 111.1° |
| C17 | C54 | H541 | 109.5° | 109.5° |
| C17 | C54 | H542 | 109.4° | 109.5° |
| C17 | C54 | H543 | 109.5° | 109.4° |
| C55 | C17 | C18 | 111.0° | 111.1° |
| C17 | C55 | C56 | 128.4° | 109.5° |
| C17 | C55 | H551 | 103.6° | 109.4° |
| C17 | C55 | H552 | 99.1° | 109.5° |
| C17 | C18 | C60 | 113.0° | 110.4° |
| C17 | C18 | C19 | 108.4° | 101.9° |
| C17 | C18 | H18 | 110.2° | 111.2° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H543 | 109.4° | 109.5° |
| H542 | C54 | H543 | 109.5° | 109.4° |
| C56 | C55 | H551 | 103.6° | 109.5° |
| C56 | C55 | H552 | 99.2° | 109.5° |
| C55 | C56 | C57 | 114.3° | 109.5° |
| C55 | C56 | H561 | 107.9° | 109.5° |
| C55 | C56 | H562 | 106.8° | 109.5° |
| H551 | C55 | H552 | 125.9° | 109.5° |
| C57 | C56 | H561 | 107.9° | 109.4° |
| C57 | C56 | H562 | 106.8° | 109.4° |
| C56 | C57 | O58 | 106.4° | 120.0° |
| C56 | C57 | N59 | 128.2° | 120.1° |
| H561 | C56 | H562 | 113.3° | 109.4° |
| O58 | C57 | N59 | 123.6° | 120.0° |
| C57 | N59 | C1P | 121.6° | 120.0° |
| C57 | N59 | H59 | 119.2° | 119.9° |
| C1P | N59 | H59 | 119.2° | 120.1° |
| N59 | C1P | C2P | 115.4° | 109.5° |
| N59 | C1P | H1P1 | 107.5° | 109.4° |
| N59 | C1P | H1P2 | 106.2° | 109.5° |
| C60 | C18 | C19 | 115.5° | 110.3° |
| C60 | C18 | H18 | 102.1° | 111.5° |
| C18 | C60 | C61 | 113.5° | 109.5° |
| C18 | C60 | H601 | 108.2° | 109.5° |
| C18 | C60 | H602 | 107.2° | 109.5° |
| C19 | C18 | H18 | 107.3° | 111.1° |
| C61 | C60 | H601 | 108.1° | 109.5° |
| C61 | C60 | H602 | 107.2° | 109.5° |
| C60 | C61 | O63 | 124.1° | 120.0° |
| C60 | C61 | N62 | 108.4° | 120.0° |
| H601 | C60 | H602 | 112.7° | 109.5° |
| O63 | C61 | N62 | 127.4° | 120.0° |
| C61 | N62 | H621 | 109.8° | 120.0° |
| C61 | N62 | H622 | 125.1° | 120.1° |
| H621 | N62 | H622 | 125.1° | 119.9° |
| C2P | C1P | H1P1 | 107.5° | 109.4° |
| C2P | C1P | H1P2 | 106.2° | 109.5° |
| C1P | C2P | C3P | 109.9° | 109.5° |
| C1P | C2P | O3 | 96.2° | 109.5° |
| C1P | C2P | H2P | 119.1° | 109.5° |
| H1P1 | C1P | H1P2 | 114.2° | 109.5° |
| C3P | C2P | O3 | 114.1° | 109.5° |
| C3P | C2P | H2P | 102.8° | 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 | 115.2° | 109.4° |
| C2P | O3 | P | 127.5° | 106.8° |
| H3P1 | C3P | H3P2 | 109.4° | 109.6° |
| H3P1 | C3P | H3P3 | 109.5° | 109.4° |
| H3P2 | C3P | H3P3 | 109.5° | 109.5° |
| O3 | P | O4 | 107.3° | 109.5° |
| O3 | P | O5 | 110.6° | 109.5° |
| O3 | P | O2 | 105.7° | 109.5° |
| O4 | P | O5 | 113.9° | 109.5° |
| O4 | P | O2 | 111.2° | 109.4° |
| P | O5 | HOP5 | 109.5° | 43.0° |
| O5 | P | O2 | 107.9° | 109.4° |
| P | O2 | C3R | 119.8° | 106.8° |
| O2 | C3R | C2R | 109.2° | 110.5° |
| O2 | C3R | C4R | 109.8° | 110.6° |
| O2 | C3R | H3R | 107.1° | 110.5° |
| C2R | C3R | C4R | 101.0° | 104.2° |
| C2R | C3R | H3R | 115.1° | 110.5° |
| C3R | C2R | O7R | 105.3° | 110.5° |
| C3R | C2R | C1R | 103.5° | 104.1° |
| C3R | C2R | H2R | 118.0° | 110.5° |
| C4R | C3R | H3R | 114.5° | 110.5° |
| C3R | C4R | O6R | 113.1° | 104.7° |
| C3R | C4R | C5R | 113.3° | 110.6° |
| C3R | C4R | H4R | 107.4° | 110.3° |
| O7R | C2R | C1R | 115.4° | 110.6° |
| O7R | C2R | H2R | 106.6° | 110.5° |
| C2R | O7R | HOR7 | 109.5° | 106.8° |
| C1R | C2R | H2R | 108.4° | 110.6° |
| C2R | C1R | O6R | 106.3° | 104.8° |
| C2R | C1R | N1B | 117.0° | 110.4° |
| C2R | C1R | H1R | 112.9° | 110.3° |
| O6R | C1R | N1B | 122.3° | 110.5° |
| O6R | C1R | H1R | 105.8° | 110.4° |
| C1R | O6R | C4R | 104.9° | 105.4° |
| N1B | C1R | H1R | 91.0° | 110.3° |
| C1R | N1B | C8B | 124.0° | 126.3° |
| C1R | N1B | C2B | 126.6° | 126.4° |
| O6R | C4R | C5R | 117.4° | 110.4° |
| O6R | C4R | H4R | 102.0° | 110.4° |
| C5R | C4R | H4R | 101.7° | 110.3° |
| C4R | C5R | O8R | 100.1° | 109.4° |
| C4R | C5R | H5R1 | 112.7° | 109.5° |
| C4R | C5R | H5R2 | 114.6° | 109.5° |
| O8R | C5R | H5R1 | 112.7° | 109.5° |
| O8R | C5R | H5R2 | 114.7° | 109.4° |
| C5R | O8R | HOR8 | 109.5° | 106.8° |
| H5R1 | C5R | H5R2 | 102.5° | 109.5° |
| C8B | N1B | C2B | 109.0° | 107.3° |
| N1B | C8B | C9B | 104.5° | 106.0° |
| N1B | C8B | C7B | 134.2° | 134.2° |
| N1B | C2B | N3B | 110.0° | 110.1° |
| N1B | C2B | H2B | 125.0° | 124.9° |
| C9B | C8B | C7B | 121.4° | 119.8° |
| C8B | C9B | N3B | 108.9° | 106.9° |
| C8B | C9B | C4B | 120.0° | 119.5° |
| C8B | C7B | C6B | 121.7° | 119.7° |
| C8B | C7B | H7B | 119.1° | 120.1° |
| N3B | C2B | H2B | 125.0° | 125.0° |
| C2B | N3B | C9B | 106.0° | 109.7° |
| N3B | C9B | C4B | 131.1° | 133.6° |
| C9B | C4B | C5B | 116.6° | 119.9° |
| C9B | C4B | H4B | 121.7° | 120.1° |
| C5B | C4B | H4B | 121.7° | 120.1° |
| C4B | C5B | C5M | 120.7° | 119.7° |
| C4B | C5B | C6B | 122.3° | 120.7° |
| C5M | C5B | C6B | 117.0° | 119.6° |
| C5B | C5M | HM51 | 109.5° | 109.5° |
| C5B | C5M | HM52 | 109.5° | 109.4° |
| C5B | C5M | HM53 | 109.5° | 109.4° |
| C5B | C6B | C6M | 125.9° | 119.8° |
| C5B | C6B | C7B | 118.0° | 120.4° |
| HM51 | C5M | HM52 | 109.4° | 109.5° |
| HM51 | C5M | HM53 | 109.4° | 109.6° |
| HM52 | C5M | HM53 | 109.5° | 109.4° |
| C6M | C6B | C7B | 116.1° | 119.8° |
| C6B | C6M | HM61 | 109.5° | 109.4° |
| C6B | C6M | HM62 | 109.5° | 109.5° |
| C6B | C6M | HM63 | 109.5° | 109.5° |
| C6B | C7B | H7B | 119.2° | 120.1° |
| HM61 | C6M | HM62 | 109.5° | 109.5° |
| HM61 | C6M | HM63 | 109.4° | 109.5° |
| HM62 | C6M | HM63 | 109.5° | 109.5° |
| H1A1 | C1A | H1A2 | 109.4° | 109.5° |
| H1A1 | C1A | H1A3 | 109.5° | 109.5° |
| H1A2 | C1A | H1A3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | CO | N22 | N23 | 163.5° | 146.9° |
| N21 | CO | N22 | N24 | 82.0° | 10.8° |
| N21 | CO | N22 | C1A | 79.8° | 106.0° |
| N21 | CO | N23 | N24 | 53.3° | 86.9° |
| N21 | CO | N23 | C1A | 23.9° | 179.6° |
| N21 | CO | N24 | C1A | 83.2° | 106.1° |
| CO | N21 | C1 | C4 | 162.5° | 177.7° |
| N21 | CO | N22 | C6 | 2.0° | 31.1° |
| N21 | CO | N22 | C9 | 169.4° | 148.7° |
| N21 | CO | N23 | C11 | 124.4° | 75.6° |
| N21 | CO | N23 | C14 | 75.5° | 107.0° |
| N21 | CO | N24 | C16 | 177.9° | 174.5° |
| N21 | CO | N24 | C19 | 1.3° | 2.1° |
| CO | N21 | C1 | C20 | 73.2° | 88.5° |
| CO | N21 | C1 | C2 | 178.9° | 153.4° |
| CO | N21 | C1 | C19 | 51.3° | 30.5° |
| CO | N21 | C4 | C3 | 164.5° | 174.2° |
| CO | N21 | C4 | C5 | 10.8° | 5.3° |
| N21 | CO | C1A | H1A1 | 30.1° | 180.0° |
| N21 | CO | C1A | H1A2 | 89.9° | 60.0° |
| N21 | CO | C1A | H1A3 | 150.1° | 60.0° |
| N22 | CO | N23 | N24 | 160.0° | 172.4° |
| N22 | CO | N23 | C1A | 82.8° | 94.0° |
| N22 | CO | N24 | C1A | 2.3° | 116.8° |
| N22 | CO | N21 | C1 | 167.8° | 158.7° |
| N22 | CO | N21 | C4 | 7.1° | 24.7° |
| CO | N22 | C6 | C9 | 169.4° | 179.8° |
| N22 | CO | N23 | C11 | 17.7° | 9.9° |
| N22 | CO | N23 | C14 | 177.8° | 167.4° |
| N22 | CO | N24 | C16 | 96.6° | 174.8° |
| N22 | CO | N24 | C19 | 86.8° | 8.6° |
| CO | N22 | C6 | C5 | 0.2° | 26.2° |
| CO | N22 | C6 | C7 | 179.5° | 156.1° |
| CO | N22 | C9 | C8 | 157.6° | 167.4° |
| CO | N22 | C9 | C10 | 25.1° | 10.2° |
| N22 | CO | C1A | H1A1 | 69.8° | 96.0° |
| N22 | CO | C1A | H1A2 | 170.3° | 24.0° |
| N22 | CO | C1A | H1A3 | 50.2° | 143.9° |
| N23 | CO | N24 | C1A | 83.0° | 107.0° |
| N23 | CO | N21 | C1 | 87.2° | 69.8° |
| N23 | CO | N21 | C4 | 112.0° | 113.6° |
| N23 | CO | N22 | C6 | 165.5° | 178.0° |
| N23 | CO | N22 | C9 | 27.1° | 1.8° |
| CO | N23 | C11 | C14 | 162.7° | 177.6° |
| N23 | CO | N24 | C16 | 16.0° | 38.6° |
| N23 | CO | N24 | C19 | 167.5° | 144.8° |
| CO | N23 | C11 | C10 | 3.1° | 14.9° |
| CO | N23 | C11 | C12 | 170.9° | 165.5° |
| CO | N23 | C14 | C13 | 152.7° | 175.7° |
| CO | N23 | C14 | C15 | 21.9° | 3.2° |
| N23 | CO | C1A | H1A1 | 156.8° | 0.2° |
| N23 | CO | C1A | H1A2 | 83.2° | 119.8° |
| N23 | CO | C1A | H1A3 | 36.8° | 120.2° |
| N24 | CO | N21 | C1 | 32.5° | 19.3° |
| N24 | CO | N21 | C4 | 166.7° | 157.3° |
| N24 | CO | N22 | C6 | 84.1° | 41.9° |
| N24 | CO | N22 | C9 | 108.6° | 137.9° |
| N24 | CO | N23 | C11 | 177.7° | 162.5° |
| N24 | CO | N23 | C14 | 22.1° | 20.1° |
| CO | N24 | C16 | C19 | 176.3° | 176.7° |
| CO | N24 | C19 | C1 | 25.7° | 15.3° |
| CO | N24 | C16 | C15 | 6.3° | 31.5° |
| CO | N24 | C16 | C17 | 170.7° | 153.7° |
| CO | N24 | C19 | C18 | 154.5° | 168.4° |
| N24 | CO | C1A | H1A1 | 111.0° | 93.7° |
| N24 | CO | C1A | H1A2 | 8.9° | 146.3° |
| N24 | CO | C1A | H1A3 | 129.0° | 26.3° |
| C1A | CO | N21 | C1 | 111.2° | 110.6° |
| C1A | CO | N21 | C4 | 88.0° | 66.0° |
| C1A | CO | N22 | C6 | 81.8° | 74.9° |
| C1A | CO | N22 | C9 | 110.8° | 105.3° |
| C1A | CO | N23 | C11 | 100.5° | 104.0° |
| C1A | CO | N23 | C14 | 99.3° | 73.4° |
| C1A | CO | N24 | C16 | 98.9° | 68.4° |
| C1A | CO | N24 | C19 | 84.5° | 108.2° |
| CO | C1A | H1A1 | H1A2 | 120.0° | 120.0° |
| CO | C1A | H1A1 | H1A3 | 120.0° | 120.0° |
| CO | C1A | H1A2 | H1A3 | 120.0° | 120.0° |
| N21 | C1 | C19 | N24 | 46.5° | 29.1° |
| N21 | C1 | C20 | C2 | 108.4° | 115.1° |
| N21 | C1 | C20 | C19 | 111.8° | 117.3° |
| N21 | C1 | C2 | C19 | 110.9° | 117.5° |
| N21 | C1 | C20 | H201 | 90.0° | 80.8° |
| N21 | C1 | C20 | H202 | 150.0° | 159.2° |
| N21 | C1 | C20 | H203 | 29.9° | 39.2° |
| N21 | C1 | C2 | C25 | 152.4° | 151.4° |
| N21 | C1 | C2 | C26 | 86.4° | 83.4° |
| N21 | C1 | C2 | C3 | 26.8° | 33.9° |
| C1 | N21 | C4 | C3 | 3.5° | 2.4° |
| C1 | N21 | C4 | C5 | 171.7° | 178.1° |
| N21 | C1 | C19 | C18 | 159.0° | 156.5° |
| C4 | N21 | C1 | C20 | 89.3° | 93.9° |
| C4 | N21 | C1 | C2 | 18.6° | 24.3° |
| C4 | N21 | C1 | C19 | 146.2° | 147.2° |
| N21 | C4 | C3 | C2 | 14.6° | 19.8° |
| N21 | C4 | C3 | C30 | 115.1° | 97.8° |
| N21 | C4 | C3 | C5 | 175.4° | 179.4° |
| N21 | C4 | C3 | H3 | 134.1° | 138.7° |
| N21 | C4 | C5 | C35 | 145.3° | 166.5° |
| N21 | C4 | C5 | C6 | 7.9° | 14.4° |
| N22 | C6 | C5 | C4 | 2.1° | 3.6° |
| N22 | C6 | C5 | C35 | 150.5° | 177.3° |
| N22 | C6 | C5 | C7 | 179.6° | 177.4° |
| N22 | C6 | C7 | C36 | 151.9° | 142.0° |
| N22 | C6 | C7 | C37 | 88.2° | 93.8° |
| N22 | C6 | C7 | C8 | 27.5° | 24.3° |
| C6 | N22 | C9 | C8 | 11.0° | 12.7° |
| C6 | N22 | C9 | C10 | 166.3° | 169.6° |
| C9 | N22 | C6 | C5 | 169.6° | 153.7° |
| C9 | N22 | C6 | C7 | 10.1° | 24.0° |
| N22 | C9 | C8 | C7 | 26.5° | 3.3° |
| N22 | C9 | C8 | C41 | 97.8° | 114.5° |
| N22 | C9 | C8 | C10 | 177.5° | 177.9° |
| N22 | C9 | C8 | H8 | 147.6° | 121.9° |
| N22 | C9 | C10 | C11 | 0.8° | 7.2° |
| N22 | C9 | C10 | H10 | 179.2° | 172.8° |
| N23 | C11 | C10 | C9 | 9.5° | 5.9° |
| N23 | C11 | C10 | C12 | 173.6° | 179.5° |
| N23 | C11 | C10 | H10 | 170.5° | 174.0° |
| N23 | C11 | C12 | C46 | 89.2° | 98.8° |
| N23 | C11 | C12 | C47 | 153.4° | 137.3° |
| N23 | C11 | C12 | C13 | 25.1° | 19.2° |
| C11 | N23 | C14 | C13 | 11.4° | 6.6° |
| C11 | N23 | C14 | C15 | 174.0° | 174.5° |
| C14 | N23 | C11 | C10 | 165.8° | 162.7° |
| C14 | N23 | C11 | C12 | 8.2° | 16.9° |
| N23 | C14 | C13 | C12 | 27.1° | 5.8° |
| N23 | C14 | C13 | C48 | 92.9° | 123.6° |
| N23 | C14 | C13 | C15 | 174.8° | 179.0° |
| N23 | C14 | C13 | H13 | 149.5° | 113.1° |
| N23 | C14 | C15 | C53 | 169.0° | 160.4° |
| N23 | C14 | C15 | C16 | 6.2° | 20.3° |
| C16 | N24 | C19 | C1 | 151.3° | 167.8° |
| N24 | C16 | C15 | C14 | 2.8° | 2.3° |
| N24 | C16 | C15 | C53 | 177.3° | 178.5° |
| N24 | C16 | C15 | C17 | 176.1° | 173.2° |
| N24 | C16 | C17 | C54 | 108.1° | 91.8° |
| N24 | C16 | C17 | C55 | 134.4° | 143.3° |
| N24 | C16 | C17 | C18 | 14.9° | 25.7° |
| C16 | N24 | C19 | C18 | 22.5° | 8.5° |
| N24 | C19 | C1 | C20 | 69.6° | 89.9° |
| N24 | C19 | C1 | C2 | 159.3° | 145.6° |
| N24 | C19 | C1 | C18 | 112.5° | 174.3° |
| C19 | N24 | C16 | C15 | 177.4° | 151.9° |
| C19 | N24 | C16 | C17 | 5.6° | 23.0° |
| N24 | C19 | C18 | C17 | 30.4° | 9.1° |
| N24 | C19 | C18 | C60 | 158.4° | 126.4° |
| N24 | C19 | C18 | H18 | 88.5° | 109.4° |
| C20 | C1 | C2 | C19 | 137.5° | 124.4° |
| C1 | C20 | H201 | H202 | 120.0° | 120.1° |
| C1 | C20 | H201 | H203 | 120.0° | 120.0° |
| C1 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C1 | C2 | C25 | 40.8° | 33.3° |
| C20 | C1 | C2 | C26 | 162.1° | 158.6° |
| C20 | C1 | C2 | C3 | 84.7° | 84.1° |
| C20 | C1 | C19 | C18 | 42.9° | 84.5° |
| C2 | C1 | C20 | H201 | 161.6° | 164.1° |
| C2 | C1 | C20 | H202 | 41.6° | 44.1° |
| C2 | C1 | C20 | H203 | 78.4° | 75.9° |
| C1 | C2 | C25 | C26 | 119.4° | 125.0° |
| C1 | C2 | C25 | C3 | 118.9° | 109.6° |
| C1 | C2 | C26 | C3 | 110.8° | 109.5° |
| C1 | C2 | C25 | H251 | 11.4° | 57.4° |
| C1 | C2 | C25 | H252 | 131.4° | 177.4° |
| C1 | C2 | C25 | H253 | 108.6° | 62.6° |
| C1 | C2 | C26 | C27 | 166.6° | 158.9° |
| C1 | C2 | C26 | H261 | 73.5° | 81.1° |
| C1 | C2 | C26 | H262 | 52.5° | 39.0° |
| C1 | C2 | C3 | C30 | 101.6° | 85.8° |
| C1 | C2 | C3 | C4 | 23.3° | 31.5° |
| C1 | C2 | C3 | H3 | 148.2° | 150.2° |
| C2 | C1 | C19 | C18 | 88.3° | 40.1° |
| C19 | C1 | C20 | H201 | 21.8° | 36.5° |
| C19 | C1 | C20 | H202 | 98.2° | 83.5° |
| C19 | C1 | C20 | H203 | 141.8° | 156.6° |
| C19 | C1 | C2 | C25 | 96.7° | 91.1° |
| C19 | C1 | C2 | C26 | 24.6° | 34.2° |
| C19 | C1 | C2 | C3 | 137.8° | 151.5° |
| C1 | C19 | C18 | C17 | 150.2° | 176.4° |
| C1 | C19 | C18 | C60 | 81.8° | 59.1° |
| C1 | C19 | C18 | H18 | 31.3° | 65.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C25 | C2 | C26 | C3 | 126.4° | 125.4° |
| C2 | C25 | H251 | H252 | 120.0° | 119.9° |
| C2 | C25 | H251 | H253 | 120.0° | 120.0° |
| C2 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C2 | C26 | C27 | 70.6° | 76.1° |
| C25 | C2 | C26 | H261 | 49.3° | 44.0° |
| C25 | C2 | C26 | H262 | 175.3° | 164.0° |
| C25 | C2 | C3 | C30 | 22.1° | 31.5° |
| C25 | C2 | C3 | C4 | 147.0° | 148.8° |
| C25 | C2 | C3 | H3 | 88.1° | 92.5° |
| C26 | C2 | C25 | H251 | 108.0° | 67.6° |
| C26 | C2 | C25 | H252 | 12.0° | 52.4° |
| C26 | C2 | C25 | H253 | 132.0° | 172.4° |
| C2 | C26 | C27 | H261 | 120.0° | 120.0° |
| C2 | C26 | C27 | H262 | 114.0° | 120.0° |
| C2 | C26 | H261 | H262 | 115.1° | 120.1° |
| C2 | C26 | C27 | O28 | 81.7° | 6.9° |
| C2 | C26 | C27 | N29 | 100.5° | 173.2° |
| C26 | C2 | C3 | C30 | 145.3° | 157.1° |
| C26 | C2 | C3 | C4 | 89.8° | 85.6° |
| C26 | C2 | C3 | H3 | 35.1° | 33.0° |
| C3 | C2 | C25 | H251 | 130.3° | 167.0° |
| C3 | C2 | C25 | H252 | 109.6° | 73.0° |
| C3 | C2 | C25 | H253 | 10.4° | 47.0° |
| C3 | C2 | C26 | C27 | 55.8° | 49.4° |
| C3 | C2 | C26 | H261 | 175.8° | 169.4° |
| C3 | C2 | C26 | H262 | 58.2° | 70.5° |
| C2 | C3 | C30 | C4 | 118.4° | 112.4° |
| C2 | C3 | C30 | H3 | 117.7° | 124.2° |
| C2 | C3 | C4 | H3 | 119.4° | 118.9° |
| C2 | C3 | C30 | C31 | 104.7° | 177.6° |
| C2 | C3 | C30 | H301 | 135.3° | 62.4° |
| C2 | C3 | C30 | H302 | 17.4° | 57.6° |
| C2 | C3 | C4 | C5 | 170.0° | 159.6° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| C27 | C26 | H261 | H262 | 115.1° | 119.9° |
| C26 | C27 | O28 | N29 | 177.4° | 179.9° |
| C26 | C27 | N29 | H291 | 1.1° | 0.1° |
| C26 | C27 | N29 | H292 | 178.9° | 180.0° |
| H261 | C26 | C27 | O28 | 158.3° | 113.2° |
| H261 | C26 | C27 | N29 | 19.5° | 66.8° |
| H262 | C26 | C27 | O28 | 32.3° | 126.8° |
| H262 | C26 | C27 | N29 | 145.5° | 53.3° |
| O28 | C27 | N29 | H291 | 178.2° | 180.0° |
| O28 | C27 | N29 | H292 | 1.8° | 0.0° |
| C27 | N29 | H291 | H292 | 180.0° | 180.0° |
| C30 | C3 | C4 | H3 | 110.8° | 123.5° |
| C3 | C30 | C31 | H301 | 120.0° | 120.0° |
| C3 | C30 | C31 | H302 | 122.1° | 120.0° |
| C3 | C30 | H301 | H302 | 122.3° | 120.1° |
| C3 | C30 | C31 | C32 | 176.6° | 180.0° |
| C3 | C30 | C31 | H311 | 63.4° | 60.0° |
| C3 | C30 | C31 | H312 | 55.8° | 60.0° |
| C30 | C3 | C4 | C5 | 60.3° | 82.8° |
| C4 | C3 | C30 | C31 | 137.0° | 70.0° |
| C4 | C3 | C30 | H301 | 17.0° | 50.0° |
| C4 | C3 | C30 | H302 | 100.9° | 170.0° |
| C3 | C4 | C5 | C35 | 40.0° | 12.8° |
| C3 | C4 | C5 | C6 | 166.8° | 166.3° |
| H3 | C3 | C30 | C31 | 13.0° | 53.4° |
| H3 | C3 | C30 | H301 | 107.0° | 173.4° |
| H3 | C3 | C30 | H302 | 135.1° | 66.6° |
| H3 | C3 | C4 | C5 | 50.5° | 40.7° |
| C31 | C30 | H301 | H302 | 122.3° | 119.9° |
| C30 | C31 | C32 | H311 | 120.0° | 120.0° |
| C30 | C31 | C32 | H312 | 120.8° | 120.0° |
| C30 | C31 | H311 | H312 | 120.9° | 120.0° |
| C30 | C31 | C32 | O34 | 62.9° | 0.0° |
| C30 | C31 | C32 | N33 | 117.7° | 180.0° |
| H301 | C30 | C31 | C32 | 56.6° | 60.0° |
| H301 | C30 | C31 | H311 | 176.6° | 180.0° |
| H301 | C30 | C31 | H312 | 64.2° | 60.1° |
| H302 | C30 | C31 | C32 | 61.3° | 59.9° |
| H302 | C30 | C31 | H311 | 58.7° | 60.0° |
| H302 | C30 | C31 | H312 | 177.9° | 180.0° |
| C32 | C31 | H311 | H312 | 120.8° | 120.0° |
| C31 | C32 | O34 | N33 | 179.4° | 180.0° |
| C31 | C32 | N33 | H331 | 0.3° | 0.0° |
| C31 | C32 | N33 | H332 | 179.7° | 180.0° |
| H311 | C31 | C32 | O34 | 177.1° | 120.0° |
| H311 | C31 | C32 | N33 | 2.3° | 60.0° |
| H312 | C31 | C32 | O34 | 57.9° | 120.0° |
| H312 | C31 | C32 | N33 | 121.5° | 60.0° |
| O34 | C32 | N33 | H331 | 179.7° | 180.0° |
| O34 | C32 | N33 | H332 | 0.3° | 0.0° |
| C32 | N33 | H331 | H332 | 180.0° | 180.0° |
| C4 | C5 | C35 | C6 | 154.5° | 179.0° |
| C4 | C5 | C35 | H351 | 74.4° | 96.4° |
| C4 | C5 | C35 | H352 | 45.6° | 23.6° |
| C4 | C5 | C35 | H353 | 165.6° | 143.6° |
| C4 | C5 | C6 | C7 | 177.5° | 173.8° |
| C5 | C35 | H351 | H352 | 120.0° | 120.0° |
| C5 | C35 | H351 | H353 | 120.0° | 120.0° |
| C5 | C35 | H352 | H353 | 120.0° | 120.1° |
| C35 | C5 | C6 | C7 | 29.9° | 5.3° |
| C6 | C5 | C35 | H351 | 131.1° | 82.7° |
| C6 | C5 | C35 | H352 | 108.9° | 157.4° |
| C6 | C5 | C35 | H353 | 11.2° | 37.3° |
| C5 | C6 | C7 | C36 | 27.8° | 35.9° |
| C5 | C6 | C7 | C37 | 92.2° | 88.3° |
| C5 | C6 | C7 | C8 | 152.1° | 153.6° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| C6 | C7 | C36 | C37 | 117.2° | 124.1° |
| C6 | C7 | C36 | C8 | 120.2° | 111.5° |
| C6 | C7 | C37 | C8 | 116.4° | 111.8° |
| C6 | C7 | C36 | H361 | 22.5° | 80.0° |
| C6 | C7 | C36 | H362 | 142.5° | 160.0° |
| C6 | C7 | C36 | H363 | 97.5° | 39.9° |
| C6 | C7 | C37 | C38 | 175.7° | 174.8° |
| C6 | C7 | C37 | H371 | 64.3° | 65.1° |
| C6 | C7 | C37 | H372 | 61.1° | 54.8° |
| C6 | C7 | C8 | C41 | 85.8° | 102.0° |
| C6 | C7 | C8 | C9 | 31.4° | 15.6° |
| C6 | C7 | C8 | H8 | 159.0° | 133.8° |
| C36 | C7 | C37 | C8 | 126.9° | 124.2° |
| C7 | C36 | H361 | H362 | 120.0° | 120.1° |
| C7 | C36 | H361 | H363 | 120.0° | 120.0° |
| C7 | C36 | H362 | H363 | 120.0° | 120.0° |
| C36 | C7 | C37 | C38 | 67.7° | 61.2° |
| C36 | C7 | C37 | H371 | 52.3° | 58.8° |
| C36 | C7 | C37 | H372 | 177.8° | 178.8° |
| C36 | C7 | C8 | C41 | 33.4° | 15.6° |
| C36 | C7 | C8 | C9 | 150.6° | 133.2° |
| C36 | C7 | C8 | H8 | 81.8° | 108.6° |
| C37 | C7 | C36 | H361 | 94.7° | 44.1° |
| C37 | C7 | C36 | H362 | 25.2° | 76.0° |
| C37 | C7 | C36 | H363 | 145.3° | 164.0° |
| C7 | C37 | C38 | H371 | 120.0° | 120.0° |
| C7 | C37 | C38 | H372 | 114.5° | 120.0° |
| C7 | C37 | H371 | H372 | 115.4° | 120.0° |
| C7 | C37 | C38 | O39 | 131.3° | 4.4° |
| C7 | C37 | C38 | N40 | 53.0° | 175.7° |
| C37 | C7 | C8 | C41 | 158.4° | 140.0° |
| C37 | C7 | C8 | C9 | 84.5° | 102.4° |
| C37 | C7 | C8 | H8 | 43.2° | 15.8° |
| C8 | C7 | C36 | H361 | 142.7° | 168.5° |
| C8 | C7 | C36 | H362 | 97.3° | 48.4° |
| C8 | C7 | C36 | H363 | 22.7° | 71.6° |
| C8 | C7 | C37 | C38 | 59.2° | 63.0° |
| C8 | C7 | C37 | H371 | 179.2° | 176.9° |
| C8 | C7 | C37 | H372 | 55.3° | 57.0° |
| C7 | C8 | C41 | C9 | 109.3° | 112.6° |
| C7 | C8 | C41 | H8 | 122.4° | 124.1° |
| C7 | C8 | C9 | H8 | 121.1° | 118.6° |
| C7 | C8 | C41 | C42 | 164.6° | 171.9° |
| C7 | C8 | C41 | H411 | 75.4° | 68.1° |
| C7 | C8 | C41 | H412 | 48.6° | 51.9° |
| C7 | C8 | C9 | C10 | 151.0° | 174.5° |
| H361 | C36 | H362 | H363 | 120.0° | 119.9° |
| C38 | C37 | H371 | H372 | 115.4° | 120.0° |
| C37 | C38 | O39 | N40 | 176.0° | 179.9° |
| C37 | C38 | N40 | H401 | 2.7° | 0.1° |
| C37 | C38 | N40 | H402 | 177.3° | 180.0° |
| H371 | C37 | C38 | O39 | 11.3° | 115.6° |
| H371 | C37 | C38 | N40 | 173.0° | 64.3° |
| H372 | C37 | C38 | O39 | 114.2° | 124.4° |
| H372 | C37 | C38 | N40 | 61.5° | 55.7° |
| O39 | C38 | N40 | H401 | 177.8° | 180.0° |
| O39 | C38 | N40 | H402 | 2.3° | 0.1° |
| C38 | N40 | H401 | H402 | 180.0° | 180.0° |
| C41 | C8 | C9 | H8 | 114.7° | 123.6° |
| C8 | C41 | C42 | H411 | 120.0° | 120.0° |
| C8 | C41 | C42 | H412 | 116.0° | 120.0° |
| C8 | C41 | H411 | H412 | 116.5° | 120.0° |
| C8 | C41 | C42 | C43 | 169.8° | 172.1° |
| C8 | C41 | C42 | H421 | 49.8° | 52.1° |
| C8 | C41 | C42 | H422 | 68.8° | 67.9° |
| C41 | C8 | C9 | C10 | 84.8° | 67.6° |
| C9 | C8 | C41 | C42 | 86.1° | 75.5° |
| C9 | C8 | C41 | H411 | 33.9° | 44.5° |
| C9 | C8 | C41 | H412 | 157.9° | 164.5° |
| C8 | C9 | C10 | C11 | 178.0° | 170.2° |
| C8 | C9 | C10 | H10 | 2.0° | 9.8° |
| H8 | C8 | C41 | C42 | 42.2° | 47.8° |
| H8 | C8 | C41 | H411 | 162.2° | 167.8° |
| H8 | C8 | C41 | H412 | 73.7° | 72.2° |
| H8 | C8 | C9 | C10 | 29.9° | 56.0° |
| C42 | C41 | H411 | H412 | 116.5° | 120.0° |
| C41 | C42 | C43 | H421 | 120.0° | 120.0° |
| C41 | C42 | C43 | H422 | 121.5° | 120.0° |
| C41 | C42 | H421 | H422 | 121.6° | 120.0° |
| C41 | C42 | C43 | O44 | 56.5° | 0.0° |
| C41 | C42 | C43 | N45 | 124.4° | 180.0° |
| H411 | C41 | C42 | C43 | 70.3° | 67.8° |
| H411 | C41 | C42 | H421 | 169.7° | 172.1° |
| H411 | C41 | C42 | H422 | 51.2° | 52.2° |
| H412 | C41 | C42 | C43 | 53.8° | 52.1° |
| H412 | C41 | C42 | H421 | 66.2° | 67.9° |
| H412 | C41 | C42 | H422 | 175.2° | 172.1° |
| C43 | C42 | H421 | H422 | 121.6° | 120.0° |
| C42 | C43 | O44 | N45 | 179.1° | 180.0° |
| C42 | C43 | N45 | H451 | 0.6° | 0.1° |
| C42 | C43 | N45 | H452 | 179.4° | 180.0° |
| H421 | C42 | C43 | O44 | 176.5° | 120.0° |
| H421 | C42 | C43 | N45 | 4.4° | 60.0° |
| H422 | C42 | C43 | O44 | 65.0° | 120.0° |
| H422 | C42 | C43 | N45 | 114.1° | 60.0° |
| O44 | C43 | N45 | H451 | 179.7° | 179.9° |
| O44 | C43 | N45 | H452 | 0.3° | 0.1° |
| C43 | N45 | H451 | H452 | 180.0° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 176.9° | 174.6° |
| C10 | C11 | C12 | C46 | 96.6° | 81.6° |
| C10 | C11 | C12 | C47 | 20.9° | 42.3° |
| C10 | C11 | C12 | C13 | 149.1° | 160.3° |
| H10 | C10 | C11 | C12 | 3.0° | 5.5° |
| C11 | C12 | C46 | C47 | 122.9° | 123.7° |
| C11 | C12 | C46 | C13 | 106.9° | 112.0° |
| C11 | C12 | C47 | C13 | 117.9° | 112.0° |
| C11 | C12 | C46 | H461 | 11.1° | 63.0° |
| C11 | C12 | C46 | H462 | 108.8° | 176.9° |
| C11 | C12 | C46 | H463 | 131.1° | 57.0° |
| C11 | C12 | C47 | H471 | 7.7° | 58.5° |
| C11 | C12 | C47 | H472 | 112.3° | 178.6° |
| C11 | C12 | C47 | H473 | 127.7° | 61.4° |
| C11 | C12 | C13 | C48 | 91.5° | 131.5° |
| C11 | C12 | C13 | C14 | 28.2° | 14.0° |
| C11 | C12 | C13 | H13 | 150.9° | 104.4° |
| C46 | C12 | C47 | C13 | 124.9° | 124.4° |
| 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 | 124.9° | 177.8° |
| C46 | C12 | C47 | H472 | 4.9° | 57.8° |
| C46 | C12 | C47 | H473 | 115.1° | 62.3° |
| C46 | C12 | C13 | C48 | 157.3° | 13.7° |
| C46 | C12 | C13 | C14 | 83.0° | 103.8° |
| C46 | C12 | C13 | H13 | 39.7° | 137.8° |
| C47 | C12 | C46 | H461 | 111.8° | 60.6° |
| C47 | C12 | C46 | H462 | 128.2° | 59.4° |
| C47 | C12 | C46 | H463 | 8.2° | 179.4° |
| C12 | C47 | H471 | H472 | 120.0° | 120.0° |
| C12 | C47 | H471 | H473 | 120.0° | 120.0° |
| C12 | C47 | H472 | H473 | 120.0° | 120.1° |
| C47 | C12 | C13 | C48 | 34.1° | 110.7° |
| C47 | C12 | C13 | C14 | 153.8° | 131.9° |
| C47 | C12 | C13 | H13 | 83.5° | 13.4° |
| C13 | C12 | C46 | H461 | 118.1° | 175.0° |
| C13 | C12 | C46 | H462 | 1.9° | 65.0° |
| C13 | C12 | C46 | H463 | 122.0° | 55.0° |
| C13 | C12 | C47 | H471 | 110.2° | 53.4° |
| C13 | C12 | C47 | H472 | 129.8° | 66.6° |
| C13 | C12 | C47 | H473 | 9.8° | 173.4° |
| C12 | C13 | C48 | C14 | 114.3° | 112.8° |
| C12 | C13 | C48 | H13 | 122.7° | 124.2° |
| C12 | C13 | C14 | H13 | 122.4° | 118.9° |
| C12 | C13 | C48 | C49 | 103.4° | 73.6° |
| C12 | C13 | C48 | H481 | 136.6° | 166.4° |
| C12 | C13 | C48 | H482 | 18.1° | 46.4° |
| C12 | C13 | C14 | C15 | 158.1° | 173.1° |
| H461 | C46 | H462 | H463 | 120.0° | 119.9° |
| H471 | C47 | H472 | H473 | 120.0° | 119.9° |
| C48 | C13 | C14 | H13 | 117.6° | 123.3° |
| C13 | C48 | C49 | H481 | 120.0° | 120.0° |
| C13 | C48 | C49 | H482 | 121.5° | 120.0° |
| C13 | C48 | H481 | H482 | 121.6° | 120.0° |
| C13 | C48 | C49 | C50 | 161.8° | 178.8° |
| C13 | C48 | C49 | H491 | 78.2° | 61.2° |
| C13 | C48 | C49 | H492 | 41.6° | 58.8° |
| C48 | C13 | C14 | C15 | 81.8° | 55.3° |
| C14 | C13 | C48 | C49 | 142.3° | 173.5° |
| C14 | C13 | C48 | H481 | 22.3° | 53.5° |
| C14 | C13 | C48 | H482 | 96.2° | 66.5° |
| C13 | C14 | C15 | C53 | 17.2° | 20.8° |
| C13 | C14 | C15 | C16 | 167.6° | 158.4° |
| H13 | C13 | C48 | C49 | 19.3° | 50.6° |
| H13 | C13 | C48 | H481 | 100.7° | 69.4° |
| H13 | C13 | C48 | H482 | 140.8° | 170.6° |
| H13 | C13 | C14 | C15 | 35.8° | 67.9° |
| C49 | C48 | H481 | H482 | 121.6° | 120.0° |
| C48 | C49 | C50 | H491 | 120.0° | 120.0° |
| C48 | C49 | C50 | H492 | 120.2° | 120.0° |
| C48 | C49 | H491 | H492 | 120.1° | 119.9° |
| C48 | C49 | C50 | O51 | 52.1° | 0.0° |
| C48 | C49 | C50 | N52 | 126.7° | 179.9° |
| H481 | C48 | C49 | C50 | 41.8° | 58.7° |
| H481 | C48 | C49 | H491 | 161.8° | 178.8° |
| H481 | C48 | C49 | H492 | 78.4° | 61.2° |
| H482 | C48 | C49 | C50 | 76.7° | 61.3° |
| H482 | C48 | C49 | H491 | 43.4° | 58.8° |
| H482 | C48 | C49 | H492 | 163.2° | 178.8° |
| C50 | C49 | H491 | H492 | 120.1° | 120.0° |
| C49 | C50 | O51 | N52 | 178.7° | 180.0° |
| C49 | C50 | N52 | H521 | 0.6° | 0.0° |
| C49 | C50 | N52 | H522 | 179.4° | 180.0° |
| H491 | C49 | C50 | O51 | 172.1° | 120.0° |
| H491 | C49 | C50 | N52 | 6.7° | 60.0° |
| H492 | C49 | C50 | O51 | 68.1° | 120.0° |
| H492 | C49 | C50 | N52 | 113.1° | 60.0° |
| O51 | C50 | N52 | H521 | 179.2° | 180.0° |
| O51 | C50 | N52 | H522 | 0.8° | 0.1° |
| C50 | N52 | H521 | H522 | 180.0° | 179.9° |
| C14 | C15 | C53 | C16 | 174.9° | 179.2° |
| C14 | C15 | C53 | H531 | 75.3° | 88.5° |
| C14 | C15 | C53 | H532 | 164.7° | 31.6° |
| C14 | C15 | C53 | H533 | 44.7° | 151.6° |
| C14 | C15 | C16 | C17 | 178.9° | 170.9° |
| 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 | 6.6° | 8.3° |
| C16 | C15 | C53 | H531 | 99.6° | 90.8° |
| C16 | C15 | C53 | H532 | 20.4° | 149.2° |
| C16 | C15 | C53 | H533 | 140.4° | 29.2° |
| C15 | C16 | C17 | C54 | 75.2° | 94.4° |
| C15 | C16 | C17 | C55 | 42.3° | 30.5° |
| C15 | C16 | C17 | C18 | 161.8° | 148.1° |
| H531 | C53 | H532 | H533 | 120.0° | 119.9° |
| C16 | C17 | C54 | C55 | 121.7° | 124.7° |
| C16 | C17 | C54 | C18 | 112.3° | 110.8° |
| C16 | C17 | C55 | C18 | 114.1° | 110.8° |
| C16 | C17 | C54 | H541 | 91.2° | 65.4° |
| C16 | C17 | C54 | H542 | 148.8° | 54.6° |
| C16 | C17 | C54 | H543 | 28.8° | 174.6° |
| C16 | C17 | C55 | C56 | 56.3° | 57.5° |
| C16 | C17 | C55 | H551 | 63.7° | 177.5° |
| C16 | C17 | C55 | H552 | 165.7° | 62.5° |
| C16 | C17 | C18 | C60 | 158.6° | 137.3° |
| C16 | C17 | C18 | C19 | 29.2° | 20.0° |
| C16 | C17 | C18 | H18 | 87.9° | 98.4° |
| C54 | C17 | C55 | C18 | 129.7° | 124.5° |
| C17 | C54 | H541 | H542 | 120.0° | 120.0° |
| C17 | C54 | H541 | H543 | 120.0° | 120.0° |
| C17 | C54 | H542 | H543 | 120.0° | 119.9° |
| C54 | C17 | C55 | C56 | 172.4° | 177.8° |
| C54 | C17 | C55 | H551 | 52.4° | 57.9° |
| C54 | C17 | C55 | H552 | 78.1° | 62.1° |
| C54 | C17 | C18 | C60 | 44.4° | 19.7° |
| C54 | C17 | C18 | C19 | 85.0° | 97.5° |
| C54 | C17 | C18 | H18 | 157.8° | 144.0° |
| C55 | C17 | C54 | H541 | 147.1° | 59.3° |
| C55 | C17 | C54 | H542 | 27.1° | 179.3° |
| C55 | C17 | C54 | H543 | 92.9° | 60.7° |
| C17 | C55 | C56 | H551 | 120.0° | 120.0° |
| C17 | C55 | C56 | H552 | 109.5° | 120.0° |
| C17 | C55 | H551 | H552 | 112.1° | 120.0° |
| C17 | C55 | C56 | C57 | 174.8° | 174.9° |
| C17 | C55 | C56 | H561 | 54.8° | 54.9° |
| C17 | C55 | C56 | H562 | 67.4° | 65.1° |
| C55 | C17 | C18 | C60 | 79.8° | 105.1° |
| C55 | C17 | C18 | C19 | 150.8° | 137.7° |
| C55 | C17 | C18 | H18 | 33.6° | 19.2° |
| C18 | C17 | C54 | H541 | 21.2° | 176.2° |
| C18 | C17 | C54 | H542 | 98.9° | 56.2° |
| C18 | C17 | C54 | H543 | 141.1° | 63.8° |
| C18 | C17 | C55 | C56 | 57.9° | 53.3° |
| C18 | C17 | C55 | H551 | 177.9° | 66.7° |
| C18 | C17 | C55 | H552 | 51.6° | 173.3° |
| C17 | C18 | C60 | C19 | 125.6° | 111.9° |
| C17 | C18 | C60 | H18 | 118.3° | 124.2° |
| C17 | C18 | C19 | H18 | 119.0° | 118.5° |
| C17 | C18 | C60 | C61 | 106.2° | 54.0° |
| C17 | C18 | C60 | H601 | 13.8° | 66.0° |
| C17 | C18 | C60 | H602 | 135.6° | 174.1° |
| H541 | C54 | H542 | H543 | 120.0° | 120.0° |
| C56 | C55 | H551 | H552 | 112.2° | 120.0° |
| C55 | C56 | C57 | H561 | 120.0° | 120.0° |
| C55 | C56 | C57 | H562 | 117.9° | 120.0° |
| C55 | C56 | H561 | H562 | 118.1° | 120.1° |
| C55 | C56 | C57 | O58 | 104.6° | 0.0° |
| C55 | C56 | C57 | N59 | 90.7° | 180.0° |
| H551 | C55 | C56 | C57 | 65.2° | 65.1° |
| H551 | C55 | C56 | H561 | 174.8° | 174.9° |
| H551 | C55 | C56 | H562 | 52.6° | 54.9° |
| H552 | C55 | C56 | C57 | 65.3° | 54.9° |
| H552 | C55 | C56 | H561 | 54.6° | 65.1° |
| H552 | C55 | C56 | H562 | 176.8° | 174.9° |
| C57 | C56 | H561 | H562 | 118.0° | 119.9° |
| C56 | C57 | O58 | N59 | 165.6° | 180.0° |
| C56 | C57 | N59 | C1P | 170.9° | 180.0° |
| C56 | C57 | N59 | H59 | 9.1° | 0.0° |
| H561 | C56 | C57 | O58 | 135.4° | 120.0° |
| H561 | C56 | C57 | N59 | 29.3° | 60.0° |
| H562 | C56 | C57 | O58 | 13.3° | 120.1° |
| H562 | C56 | C57 | N59 | 151.5° | 59.9° |
| O58 | C57 | N59 | C1P | 26.8° | 0.0° |
| O58 | C57 | N59 | H59 | 153.2° | 180.0° |
| C57 | N59 | C1P | H59 | 180.0° | 180.0° |
| C57 | N59 | C1P | C2P | 93.1° | 176.0° |
| C57 | N59 | C1P | H1P1 | 26.9° | 64.1° |
| C57 | N59 | C1P | H1P2 | 149.6° | 56.0° |
| N59 | C1P | C2P | H1P1 | 120.0° | 120.0° |
| N59 | C1P | C2P | H1P2 | 117.3° | 120.1° |
| N59 | C1P | H1P1 | H1P2 | 117.6° | 120.1° |
| N59 | C1P | C2P | C3P | 168.1° | 174.2° |
| N59 | C1P | C2P | O3 | 73.4° | 65.8° |
| N59 | C1P | C2P | H2P | 50.1° | 54.2° |
| H59 | N59 | C1P | C2P | 86.9° | 4.0° |
| H59 | N59 | C1P | H1P1 | 153.1° | 116.0° |
| H59 | N59 | C1P | H1P2 | 30.4° | 124.0° |
| C60 | C18 | C19 | H18 | 113.0° | 124.2° |
| C18 | C60 | C61 | H601 | 120.0° | 120.0° |
| C18 | C60 | C61 | H602 | 118.2° | 120.0° |
| C18 | C60 | H601 | H602 | 118.3° | 120.0° |
| C18 | C60 | C61 | O63 | 59.8° | 20.8° |
| C18 | C60 | C61 | N62 | 122.8° | 159.2° |
| C19 | C18 | C60 | C61 | 128.2° | 165.9° |
| C19 | C18 | C60 | H601 | 111.8° | 46.0° |
| C19 | C18 | C60 | H602 | 9.9° | 74.0° |
| H18 | C18 | C60 | C61 | 12.1° | 70.1° |
| H18 | C18 | C60 | H601 | 132.1° | 169.9° |
| H18 | C18 | C60 | H602 | 106.1° | 49.9° |
| C61 | C60 | H601 | H602 | 118.3° | 120.1° |
| C60 | C61 | O63 | N62 | 176.9° | 180.0° |
| C60 | C61 | N62 | H621 | 0.8° | 0.0° |
| C60 | C61 | N62 | H622 | 179.2° | 179.9° |
| H601 | C60 | C61 | O63 | 60.2° | 140.8° |
| H601 | C60 | C61 | N62 | 117.2° | 39.2° |
| H602 | C60 | C61 | O63 | 178.0° | 99.2° |
| H602 | C60 | C61 | N62 | 4.6° | 80.8° |
| O63 | C61 | N62 | H621 | 178.1° | 180.0° |
| O63 | C61 | N62 | H622 | 1.8° | 0.1° |
| C61 | N62 | H621 | H622 | 180.0° | 179.9° |
| C2P | C1P | H1P1 | H1P2 | 117.5° | 120.0° |
| C1P | C2P | C3P | O3 | 106.8° | 120.0° |
| C1P | C2P | C3P | H2P | 127.7° | 120.0° |
| C1P | C2P | O3 | H2P | 126.3° | 120.0° |
| C1P | C2P | C3P | H3P1 | 34.3° | 180.0° |
| C1P | C2P | C3P | H3P2 | 85.7° | 60.0° |
| C1P | C2P | C3P | H3P3 | 154.3° | 60.0° |
| C1P | C2P | O3 | P | 124.9° | 128.9° |
| H1P1 | C1P | C2P | C3P | 48.1° | 65.9° |
| H1P1 | C1P | C2P | O3 | 166.6° | 54.2° |
| H1P1 | C1P | C2P | H2P | 69.9° | 174.1° |
| H1P2 | C1P | C2P | C3P | 74.5° | 54.1° |
| H1P2 | C1P | C2P | O3 | 44.0° | 174.2° |
| H1P2 | C1P | C2P | H2P | 167.4° | 65.9° |
| C3P | C2P | O3 | H2P | 118.6° | 120.0° |
| C2P | C3P | H3P1 | H3P2 | 120.0° | 120.0° |
| C2P | C3P | H3P1 | H3P3 | 120.0° | 119.9° |
| C2P | C3P | H3P2 | H3P3 | 120.0° | 120.0° |
| C3P | C2P | O3 | P | 120.0° | 111.1° |
| O3 | C2P | C3P | H3P1 | 141.1° | 60.0° |
| O3 | C2P | C3P | H3P2 | 21.1° | 180.0° |
| O3 | C2P | C3P | H3P3 | 98.9° | 60.0° |
| C2P | O3 | P | O4 | 36.0° | 65.5° |
| C2P | O3 | P | O5 | 160.8° | 54.6° |
| C2P | O3 | P | O2 | 82.7° | 174.6° |
| H2P | C2P | C3P | H3P1 | 93.5° | 60.0° |
| H2P | C2P | C3P | H3P2 | 146.6° | 60.1° |
| H2P | C2P | C3P | H3P3 | 26.6° | 180.0° |
| H2P | C2P | O3 | P | 1.4° | 8.9° |
| H3P1 | C3P | H3P2 | H3P3 | 120.0° | 120.0° |
| O3 | P | O4 | O5 | 122.8° | 120.1° |
| O3 | P | O4 | O2 | 115.1° | 120.0° |
| O3 | P | O5 | O2 | 115.1° | 120.0° |
| O3 | P | O5 | HOP5 | 26.1° | 121.8° |
| O3 | P | O2 | C3R | 79.9° | 175.0° |
| O4 | P | O5 | O2 | 123.9° | 120.0° |
| O4 | P | O5 | HOP5 | 147.1° | 1.7° |
| O4 | P | O2 | C3R | 164.0° | 65.0° |
| O5 | P | O2 | C3R | 38.4° | 55.0° |
| HOP5 | O5 | P | O2 | 89.0° | 118.3° |
| P | O2 | C3R | C2R | 101.7° | 121.9° |
| P | O2 | C3R | C4R | 148.5° | 123.3° |
| P | O2 | C3R | H3R | 23.6° | 0.7° |
| O2 | C3R | C2R | C4R | 115.7° | 118.7° |
| O2 | C3R | C2R | H3R | 120.4° | 122.6° |
| O2 | C3R | C4R | H3R | 120.5° | 122.6° |
| O2 | C3R | C2R | O7R | 37.9° | 0.1° |
| O2 | C3R | C2R | C1R | 83.6° | 118.6° |
| O2 | C3R | C2R | H2R | 156.7° | 122.7° |
| O2 | C3R | C4R | O6R | 84.8° | 142.5° |
| O2 | C3R | C4R | C5R | 138.4° | 98.6° |
| O2 | C3R | C4R | H4R | 26.9° | 23.7° |
| C2R | C3R | C4R | H3R | 124.3° | 118.6° |
| C3R | C2R | O7R | C1R | 113.4° | 114.7° |
| C3R | C2R | O7R | H2R | 126.1° | 122.6° |
| C3R | C2R | C1R | H2R | 126.0° | 118.7° |
| C3R | C2R | O7R | HOR7 | 175.4° | 180.0° |
| C3R | C2R | C1R | O6R | 26.1° | 24.0° |
| C3R | C2R | C1R | N1B | 114.6° | 94.9° |
| C3R | C2R | C1R | H1R | 141.7° | 142.8° |
| C2R | C3R | C4R | O6R | 30.4° | 23.8° |
| C2R | C3R | C4R | C5R | 106.4° | 142.7° |
| C2R | C3R | C4R | H4R | 142.1° | 95.0° |
| C4R | C3R | C2R | O7R | 153.6° | 118.9° |
| C4R | C3R | C2R | C1R | 32.1° | 0.1° |
| C4R | C3R | C2R | H2R | 87.6° | 118.6° |
| C3R | C4R | O6R | C1R | 13.9° | 40.3° |
| C3R | C4R | O6R | C5R | 135.0° | 119.1° |
| C3R | C4R | O6R | H4R | 115.0° | 118.7° |
| C3R | C4R | C5R | H4R | 114.9° | 122.3° |
| C3R | C4R | C5R | O8R | 154.0° | 178.1° |
| C3R | C4R | C5R | H5R1 | 34.0° | 58.1° |
| C3R | C4R | C5R | H5R2 | 82.7° | 61.9° |
| H3R | C3R | C2R | O7R | 82.5° | 122.5° |
| H3R | C3R | C2R | C1R | 156.0° | 118.8° |
| H3R | C3R | C2R | H2R | 36.3° | 0.1° |
| H3R | C3R | C4R | O6R | 154.8° | 94.9° |
| H3R | C3R | C4R | C5R | 17.9° | 24.1° |
| H3R | C3R | C4R | H4R | 93.6° | 146.4° |
| O7R | C2R | C1R | H2R | 119.5° | 122.7° |
| O7R | C2R | C1R | O6R | 140.6° | 142.7° |
| O7R | C2R | C1R | N1B | 0.1° | 23.7° |
| O7R | C2R | C1R | H1R | 103.8° | 98.5° |
| C1R | C2R | O7R | HOR7 | 71.2° | 65.3° |
| C2R | C1R | O6R | N1B | 138.1° | 118.9° |
| C2R | C1R | O6R | H1R | 120.3° | 118.8° |
| C2R | C1R | N1B | H1R | 116.5° | 122.2° |
| C2R | C1R | O6R | C4R | 7.7° | 40.4° |
| C2R | C1R | N1B | C8B | 136.2° | 76.7° |
| C2R | C1R | N1B | C2B | 51.3° | 103.5° |
| H2R | C2R | O7R | HOR7 | 49.3° | 57.4° |
| H2R | C2R | C1R | O6R | 99.9° | 94.7° |
| H2R | C2R | C1R | N1B | 119.4° | 146.4° |
| H2R | C2R | C1R | H1R | 15.7° | 24.1° |
| O6R | C1R | N1B | H1R | 109.5° | 122.3° |
| C1R | O6R | C4R | C5R | 121.1° | 159.5° |
| C1R | O6R | C4R | H4R | 128.9° | 78.3° |
| O6R | C1R | N1B | C8B | 89.8° | 167.8° |
| O6R | C1R | N1B | C2B | 82.7° | 11.9° |
| N1B | C1R | O6R | C4R | 130.4° | 78.5° |
| C1R | N1B | C8B | C2B | 173.7° | 179.8° |
| C1R | N1B | C8B | C9B | 164.3° | 179.8° |
| C1R | N1B | C8B | C7B | 15.9° | 0.7° |
| C1R | N1B | C2B | N3B | 160.2° | 180.0° |
| C1R | N1B | C2B | H2B | 19.8° | 0.0° |
| H1R | C1R | O6R | C4R | 128.1° | 159.2° |
| H1R | C1R | N1B | C8B | 19.7° | 45.5° |
| H1R | C1R | N1B | C2B | 167.8° | 134.2° |
| O6R | C4R | C5R | H4R | 110.2° | 122.3° |
| O6R | C4R | C5R | O8R | 71.1° | 66.4° |
| O6R | C4R | C5R | H5R1 | 168.9° | 173.6° |
| O6R | C4R | C5R | H5R2 | 52.2° | 53.5° |
| C4R | C5R | O8R | H5R1 | 120.0° | 120.0° |
| C4R | C5R | O8R | H5R2 | 123.2° | 119.9° |
| C4R | C5R | H5R1 | H5R2 | 123.8° | 120.0° |
| C4R | C5R | O8R | HOR8 | 86.3° | 180.0° |
| H4R | C4R | C5R | O8R | 39.1° | 55.8° |
| H4R | C4R | C5R | H5R1 | 80.9° | 64.1° |
| H4R | C4R | C5R | H5R2 | 162.4° | 175.8° |
| O8R | C5R | H5R1 | H5R2 | 123.8° | 120.0° |
| H5R1 | C5R | O8R | HOR8 | 33.7° | 60.0° |
| H5R2 | C5R | O8R | HOR8 | 150.5° | 60.0° |
| N1B | C8B | C9B | C7B | 179.9° | 179.3° |
| C8B | N1B | C2B | N3B | 13.3° | 0.2° |
| C8B | N1B | C2B | H2B | 166.7° | 179.7° |
| N1B | C8B | C9B | N3B | 2.6° | 0.4° |
| N1B | C8B | C9B | C4B | 177.7° | 179.8° |
| N1B | C8B | C7B | C6B | 178.1° | 179.6° |
| N1B | C8B | C7B | H7B | 1.9° | 0.7° |
| C2B | N1B | C8B | C9B | 9.4° | 0.4° |
| C2B | N1B | C8B | C7B | 170.5° | 179.5° |
| N1B | C2B | N3B | H2B | 180.0° | 180.0° |
| N1B | C2B | N3B | C9B | 11.2° | 0.0° |
| C8B | C9B | N3B | C2B | 5.1° | 0.3° |
| C8B | C9B | N3B | C4B | 179.7° | 179.7° |
| C8B | C9B | C4B | C5B | 1.2° | 0.3° |
| C8B | C9B | C4B | H4B | 178.8° | 179.7° |
| C9B | C8B | C7B | C6B | 2.1° | 0.5° |
| C9B | C8B | C7B | H7B | 177.9° | 179.7° |
| C7B | C8B | C9B | N3B | 177.3° | 179.7° |
| C7B | C8B | C9B | C4B | 2.4° | 0.6° |
| C8B | C7B | C6B | C5B | 0.4° | 0.3° |
| C8B | C7B | C6B | C6M | 179.9° | 179.7° |
| C8B | C7B | C6B | H7B | 180.0° | 179.8° |
| C2B | N3B | C9B | C4B | 174.6° | 180.0° |
| H2B | C2B | N3B | C9B | 168.8° | 180.0° |
| N3B | C9B | C4B | C5B | 178.5° | 180.0° |
| N3B | C9B | C4B | H4B | 1.5° | 0.0° |
| C9B | C4B | C5B | H4B | 180.0° | 180.0° |
| C9B | C4B | C5B | C5M | 178.1° | 179.9° |
| C9B | C4B | C5B | C6B | 0.4° | 0.0° |
| C4B | C5B | C5M | C6B | 177.8° | 179.9° |
| C4B | C5B | C5M | HM51 | 93.6° | 90.0° |
| C4B | C5B | C5M | HM52 | 146.4° | 150.0° |
| C4B | C5B | C5M | HM53 | 26.4° | 30.1° |
| C4B | C5B | C6B | C6M | 178.7° | 180.0° |
| C4B | C5B | C6B | C7B | 0.8° | 0.0° |
| H4B | C4B | C5B | C5M | 1.9° | 0.1° |
| H4B | C4B | C5B | C6B | 179.6° | 180.0° |
| C5B | C5M | HM51 | HM52 | 120.0° | 120.0° |
| C5B | C5M | HM51 | HM53 | 120.0° | 120.0° |
| C5B | C5M | HM52 | HM53 | 120.0° | 119.9° |
| C5M | C5B | C6B | C6M | 0.9° | 0.1° |
| C5M | C5B | C6B | C7B | 178.6° | 179.9° |
| C6B | C5B | C5M | HM51 | 88.7° | 89.9° |
| C6B | C5B | C5M | HM52 | 31.3° | 30.1° |
| C6B | C5B | C5M | HM53 | 151.4° | 150.0° |
| C5B | C6B | C6M | C7B | 179.5° | 180.0° |
| C5B | C6B | C6M | HM61 | 91.0° | 90.0° |
| C5B | C6B | C6M | HM62 | 149.0° | 150.0° |
| C5B | C6B | C6M | HM63 | 29.0° | 30.0° |
| C5B | C6B | C7B | H7B | 179.6° | 179.9° |
| HM51 | C5M | HM52 | HM53 | 120.0° | 120.1° |
| C6B | C6M | HM61 | HM62 | 120.0° | 120.0° |
| C6B | C6M | HM61 | HM63 | 120.0° | 120.0° |
| C6B | C6M | HM62 | HM63 | 120.0° | 120.0° |
| C6M | C6B | C7B | H7B | 0.0° | 0.1° |
| C7B | C6B | C6M | HM61 | 89.5° | 90.0° |
| C7B | C6B | C6M | HM62 | 30.5° | 30.0° |
| C7B | C6B | C6M | HM63 | 150.6° | 150.0° |
| HM61 | C6M | HM62 | HM63 | 120.0° | 120.0° |
| H1A1 | C1A | H1A2 | H1A3 | 120.0° | 120.0° |
