B1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CO | N21 | sing | 1.76Å | 1.84Å | |
| CO | N22 | sing | 1.81Å | 1.89Å | |
| CO | N23 | sing | 1.75Å | 1.88Å | |
| CO | N24 | sing | 1.81Å | 1.88Å | |
| N21 | C1 | sing | 1.45Å | 1.45Å | |
| N21 | C4 | doub | 1.31Å | 1.27Å | |
| N22 | C6 | sing | 1.35Å | 1.37Å | |
| N22 | C9 | doub | 1.32Å | 1.27Å | |
| N23 | C11 | sing | 1.35Å | 1.34Å | |
| N23 | C14 | doub | 1.33Å | 1.32Å | |
| N24 | C16 | sing | 1.36Å | 1.35Å | |
| N24 | C19 | doub | 1.29Å | 1.29Å | |
| C1 | C20 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C19 | sing | 1.51Å | 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 | 1.54Å | |
| C2 | C26 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.58Å | 1.55Å | |
| 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 | 1.55Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O28 | doub | 1.21Å | 1.22Å | |
| C27 | N29 | sing | 1.35Å | 1.33Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| N29 | H292 | sing | 0.97Å | 1.00Å | |
| C3 | C30 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | O34 | doub | 1.21Å | 1.23Å | |
| C32 | N33 | sing | 1.35Å | 1.31Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N33 | H332 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.42Å | 1.46Å | |
| C5 | C35 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.35Å | |
| 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 | 1.56Å | |
| C7 | C36 | sing | 1.53Å | 1.55Å | |
| C7 | C37 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.56Å | 1.52Å | |
| 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 | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | O39 | doub | 1.21Å | 1.20Å | |
| 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 | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | O44 | doub | 1.21Å | 1.24Å | |
| C43 | N45 | sing | 1.35Å | 1.31Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å | |
| N45 | H452 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.41Å | 1.44Å | |
| C10 | C11 | doub | 1.38Å | 1.31Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C46 | sing | 1.53Å | 1.55Å | |
| C12 | C47 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.56Å | 1.52Å | |
| 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 | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| 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 | 1.52Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | O51 | doub | 1.21Å | 1.23Å | |
| C50 | N52 | sing | 1.35Å | 1.34Å | |
| N52 | H521 | sing | 0.97Å | 1.00Å | |
| N52 | H522 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.42Å | 1.47Å | |
| C15 | C53 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | doub | 1.36Å | 1.37Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.49Å | 1.55Å | |
| C17 | C54 | sing | 1.53Å | 1.54Å | |
| C17 | C55 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.56Å | 1.56Å | |
| 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 | 1.55Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| 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 | 1.33Å | |
| N59 | C1P | sing | 1.47Å | 1.47Å | |
| N59 | H59 | sing | 0.97Å | 1.00Å | |
| C18 | C60 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.51Å | 1.54Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C61 | O63 | doub | 1.21Å | 1.23Å | |
| C61 | N62 | sing | 1.35Å | 1.32Å | |
| N62 | H621 | sing | 0.97Å | 1.00Å | |
| N62 | H622 | sing | 0.97Å | 1.00Å | |
| 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 | 1.53Å | |
| C2P | O3 | sing | 1.43Å | 1.44Å | |
| 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 | 1.60Å | |
| O4 | P | doub | 1.48Å | 1.50Å | |
| O5 | P | sing | 1.61Å | 1.50Å | |
| O5 | HOP5 | sing | 0.97Å | 0.95Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| O2 | C3R | sing | 1.43Å | 1.43Å | |
| C3R | C2R | sing | 1.55Å | 1.53Å | |
| C3R | C4R | sing | 1.55Å | 1.54Å | |
| C3R | H3R | sing | 1.09Å | 1.10Å | |
| C2R | O7R | sing | 1.43Å | 1.42Å | |
| C2R | C1R | sing | 1.55Å | 1.52Å | |
| C2R | H2R | sing | 1.09Å | 1.10Å | |
| O7R | HOR7 | sing | 0.97Å | 0.95Å | |
| C1R | O6R | sing | 1.44Å | 1.43Å | |
| C1R | N1B | sing | 1.46Å | 1.51Å | |
| C1R | H1R | sing | 1.09Å | 1.10Å | |
| O6R | C4R | sing | 1.44Å | 1.42Å | |
| C4R | C5R | sing | 1.53Å | 1.54Å | |
| C4R | H4R | sing | 1.09Å | 1.10Å | |
| C5R | O8R | sing | 1.43Å | 1.43Å | |
| 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 | 1.34Å | Aromatic |
| N1B | C2B | sing | 1.36Å | 1.36Å | Aromatic |
| C8B | C9B | doub | 1.41Å | 1.47Å | Aromatic |
| C8B | C7B | sing | 1.39Å | 1.39Å | Aromatic |
| C2B | N3B | doub | 1.30Å | 1.36Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| N3B | C9B | sing | 1.36Å | 1.36Å | Aromatic |
| C9B | C4B | sing | 1.40Å | 1.40Å | Aromatic |
| C4B | C5B | doub | 1.38Å | 1.42Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | C6B | sing | 1.39Å | 1.40Å | Aromatic |
| C5B | O5M | sing | 1.36Å | 1.37Å | |
| C6B | C7B | doub | 1.38Å | 1.40Å | Aromatic |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| C7B | H7B | sing | 1.08Å | 1.08Å | |
| O5M | C5O | sing | 1.43Å | 1.42Å | |
| C5O | HO51 | sing | 1.09Å | 1.10Å | |
| C5O | HO52 | sing | 1.09Å | 1.10Å | |
| C5O | HO53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | CO | N22 | 91.6° | 97.7° |
| N21 | CO | N23 | 174.2° | 142.7° |
| N21 | CO | N24 | 82.0° | 94.5° |
| CO | N21 | C1 | 117.5° | 104.6° |
| CO | N21 | C4 | 130.5° | 133.2° |
| N22 | CO | N23 | 94.2° | 102.9° |
| N22 | CO | N24 | 169.1° | 125.6° |
| CO | N22 | C6 | 126.6° | 120.1° |
| CO | N22 | C9 | 125.1° | 120.4° |
| N23 | CO | N24 | 92.3° | 98.2° |
| CO | N23 | C11 | 125.7° | 121.6° |
| CO | N23 | C14 | 125.7° | 122.1° |
| CO | N24 | C16 | 130.2° | 129.0° |
| CO | N24 | C19 | 118.1° | 108.9° |
| C1 | N21 | C4 | 111.9° | 115.5° |
| N21 | C1 | C20 | 108.2° | 108.5° |
| N21 | C1 | C2 | 103.4° | 102.6° |
| N21 | C1 | C19 | 103.6° | 110.1° |
| N21 | C4 | C3 | 111.8° | 105.1° |
| N21 | C4 | C5 | 124.4° | 116.0° |
| C6 | N22 | C9 | 108.3° | 115.0° |
| N22 | C6 | C5 | 124.5° | 127.7° |
| N22 | C6 | C7 | 110.0° | 105.6° |
| N22 | C9 | C8 | 114.3° | 105.3° |
| N22 | C9 | C10 | 125.6° | 123.7° |
| C11 | N23 | C14 | 108.3° | 110.1° |
| N23 | C11 | C10 | 125.1° | 122.3° |
| N23 | C11 | C12 | 113.3° | 104.5° |
| N23 | C14 | C13 | 112.6° | 106.3° |
| N23 | C14 | C15 | 126.2° | 125.5° |
| C16 | N24 | C19 | 111.6° | 114.4° |
| N24 | C16 | C15 | 123.1° | 116.6° |
| N24 | C16 | C17 | 109.9° | 102.9° |
| N24 | C19 | C1 | 113.5° | 115.0° |
| N24 | C19 | C18 | 113.8° | 103.8° |
| C20 | C1 | C2 | 115.4° | 108.7° |
| C20 | C1 | C19 | 101.6° | 108.2° |
| C1 | C20 | H201 | 109.5° | 109.5° |
| C1 | C20 | H202 | 109.5° | 109.5° |
| C1 | C20 | H203 | 109.5° | 109.4° |
| C2 | C1 | C19 | 123.4° | 118.3° |
| C1 | C2 | C25 | 114.6° | 111.2° |
| C1 | C2 | C26 | 113.5° | 111.2° |
| C1 | C2 | C3 | 98.9° | 100.4° |
| C1 | C19 | C18 | 130.8° | 141.1° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| C25 | C2 | C26 | 109.9° | 111.1° |
| C25 | C2 | C3 | 113.6° | 111.2° |
| C2 | C25 | H251 | 109.5° | 109.5° |
| C2 | C25 | H252 | 109.4° | 109.5° |
| C2 | C25 | H253 | 109.5° | 109.4° |
| C26 | C2 | C3 | 105.7° | 111.3° |
| C2 | C26 | C27 | 113.3° | 109.5° |
| C2 | C26 | H261 | 108.5° | 109.5° |
| C2 | C26 | H262 | 108.5° | 109.4° |
| C2 | C3 | C30 | 118.7° | 111.1° |
| C2 | C3 | C4 | 102.0° | 100.9° |
| C2 | C3 | H3 | 107.7° | 111.1° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.4° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| C27 | C26 | H261 | 108.5° | 109.5° |
| C27 | C26 | H262 | 108.5° | 109.5° |
| C26 | C27 | O28 | 120.3° | 120.0° |
| C26 | C27 | N29 | 119.9° | 120.0° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| O28 | C27 | N29 | 119.7° | 120.0° |
| C27 | N29 | H291 | 120.0° | 120.0° |
| C27 | N29 | H292 | 120.0° | 120.0° |
| H291 | N29 | H292 | 120.0° | 120.1° |
| C30 | C3 | C4 | 112.0° | 111.1° |
| C30 | C3 | H3 | 107.8° | 111.0° |
| C3 | C30 | C31 | 111.6° | 109.5° |
| C3 | C30 | H301 | 108.9° | 109.5° |
| C3 | C30 | H302 | 108.9° | 109.5° |
| C4 | C3 | H3 | 108.2° | 111.2° |
| C3 | C4 | C5 | 123.7° | 136.7° |
| C31 | C30 | H301 | 108.9° | 109.4° |
| C31 | C30 | H302 | 108.9° | 109.4° |
| C30 | C31 | C32 | 109.9° | 109.5° |
| C30 | C31 | H311 | 109.4° | 109.4° |
| C30 | C31 | H312 | 109.4° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| C32 | C31 | H311 | 109.4° | 109.5° |
| C32 | C31 | H312 | 109.4° | 109.5° |
| C31 | C32 | O34 | 120.9° | 119.9° |
| C31 | C32 | N33 | 114.7° | 120.0° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| O34 | C32 | N33 | 124.4° | 120.0° |
| C32 | N33 | H331 | 120.0° | 120.0° |
| C32 | N33 | H332 | 120.0° | 120.0° |
| H331 | N33 | H332 | 120.0° | 120.0° |
| C4 | C5 | C35 | 117.4° | 117.6° |
| C4 | C5 | C6 | 121.1° | 124.9° |
| C35 | C5 | C6 | 121.5° | 117.5° |
| C5 | C35 | H351 | 109.5° | 109.4° |
| C5 | C35 | H352 | 109.5° | 109.5° |
| C5 | C35 | H353 | 109.5° | 109.5° |
| C5 | C6 | C7 | 125.5° | 126.4° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| C6 | C7 | C36 | 117.5° | 110.7° |
| C6 | C7 | C37 | 106.3° | 110.7° |
| C6 | C7 | C8 | 98.3° | 103.2° |
| C36 | C7 | C37 | 110.5° | 110.6° |
| C36 | C7 | C8 | 112.1° | 110.7° |
| C7 | C36 | H361 | 109.5° | 109.5° |
| C7 | C36 | H362 | 109.4° | 109.5° |
| C7 | C36 | H363 | 109.5° | 109.5° |
| C37 | C7 | C8 | 111.5° | 110.8° |
| C7 | C37 | C38 | 112.9° | 109.5° |
| C7 | C37 | H371 | 108.6° | 109.5° |
| C7 | C37 | H372 | 108.6° | 109.4° |
| C7 | C8 | C41 | 114.3° | 110.8° |
| C7 | C8 | C9 | 101.0° | 102.7° |
| C7 | C8 | H8 | 110.4° | 110.8° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| C38 | C37 | H371 | 108.6° | 109.4° |
| C38 | C37 | H372 | 108.6° | 109.5° |
| C37 | C38 | O39 | 120.0° | 120.0° |
| C37 | C38 | N40 | 117.9° | 120.1° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| O39 | C38 | N40 | 122.1° | 119.9° |
| C38 | N40 | H401 | 120.0° | 120.0° |
| C38 | N40 | H402 | 120.0° | 120.0° |
| H401 | N40 | H402 | 120.0° | 120.0° |
| C41 | C8 | C9 | 110.0° | 110.8° |
| C41 | C8 | H8 | 110.2° | 110.7° |
| C8 | C41 | C42 | 116.4° | 109.4° |
| C8 | C41 | H411 | 107.7° | 109.5° |
| C8 | C41 | H412 | 107.7° | 109.4° |
| C9 | C8 | H8 | 110.7° | 110.9° |
| C8 | C9 | C10 | 120.0° | 130.6° |
| C42 | C41 | H411 | 107.7° | 109.5° |
| C42 | C41 | H412 | 107.7° | 109.5° |
| C41 | C42 | C43 | 105.3° | 109.5° |
| C41 | C42 | H421 | 110.5° | 109.5° |
| C41 | C42 | H422 | 110.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| C43 | C42 | H421 | 110.5° | 109.4° |
| C43 | C42 | H422 | 110.5° | 109.4° |
| C42 | C43 | O44 | 122.8° | 119.9° |
| C42 | C43 | N45 | 115.6° | 120.0° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| O44 | C43 | N45 | 121.5° | 120.1° |
| C43 | N45 | H451 | 120.0° | 120.0° |
| C43 | N45 | H452 | 120.0° | 120.0° |
| H451 | N45 | H452 | 120.0° | 120.0° |
| C9 | C10 | C11 | 123.8° | 125.6° |
| C9 | C10 | H10 | 118.1° | 117.2° |
| C11 | C10 | H10 | 118.1° | 117.2° |
| C10 | C11 | C12 | 121.5° | 133.0° |
| C11 | C12 | C46 | 111.2° | 111.1° |
| C11 | C12 | C47 | 108.1° | 111.1° |
| C11 | C12 | C13 | 100.7° | 100.9° |
| C46 | C12 | C47 | 111.1° | 111.0° |
| C46 | C12 | C13 | 116.7° | 111.1° |
| C12 | C46 | H461 | 109.5° | 109.5° |
| C12 | C46 | H462 | 109.5° | 109.5° |
| C12 | C46 | H463 | 109.5° | 109.5° |
| C47 | C12 | C13 | 108.3° | 111.2° |
| C12 | C47 | H471 | 109.5° | 109.5° |
| C12 | C47 | H472 | 109.5° | 109.4° |
| C12 | C47 | H473 | 109.4° | 109.5° |
| C12 | C13 | C48 | 116.2° | 110.8° |
| C12 | C13 | C14 | 102.4° | 102.7° |
| C12 | C13 | H13 | 108.8° | 110.8° |
| H461 | C46 | H462 | 109.4° | 109.5° |
| H461 | C46 | H463 | 109.5° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.4° |
| H471 | C47 | H472 | 109.4° | 109.5° |
| H471 | C47 | H473 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| C48 | C13 | C14 | 111.6° | 110.8° |
| C48 | C13 | H13 | 108.6° | 110.7° |
| C13 | C48 | C49 | 112.1° | 109.5° |
| C13 | C48 | H481 | 108.8° | 109.5° |
| C13 | C48 | H482 | 108.8° | 109.5° |
| C14 | C13 | H13 | 108.9° | 110.9° |
| C13 | C14 | C15 | 121.1° | 127.3° |
| C49 | C48 | H481 | 108.8° | 109.4° |
| C49 | C48 | H482 | 108.8° | 109.4° |
| C48 | C49 | C50 | 108.7° | 109.5° |
| C48 | C49 | H491 | 109.7° | 109.5° |
| C48 | C49 | H492 | 109.7° | 109.4° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| C50 | C49 | H491 | 109.7° | 109.5° |
| C50 | C49 | H492 | 109.7° | 109.5° |
| C49 | C50 | O51 | 120.8° | 119.9° |
| C49 | C50 | N52 | 115.9° | 120.0° |
| H491 | C49 | H492 | 109.5° | 109.4° |
| O51 | C50 | N52 | 123.3° | 120.1° |
| C50 | N52 | H521 | 120.0° | 120.1° |
| C50 | N52 | H522 | 120.0° | 120.0° |
| H521 | N52 | H522 | 120.0° | 119.9° |
| C14 | C15 | C53 | 118.3° | 117.1° |
| C14 | C15 | C16 | 120.6° | 125.9° |
| C53 | C15 | C16 | 121.1° | 117.1° |
| C15 | C53 | H531 | 109.5° | 109.4° |
| C15 | C53 | H532 | 109.5° | 109.4° |
| C15 | C53 | H533 | 109.5° | 109.5° |
| C15 | C16 | C17 | 126.9° | 140.0° |
| H531 | C53 | H532 | 109.5° | 109.5° |
| H531 | C53 | H533 | 109.4° | 109.5° |
| H532 | C53 | H533 | 109.4° | 109.5° |
| C16 | C17 | C54 | 105.3° | 111.1° |
| C16 | C17 | C55 | 117.2° | 111.1° |
| C16 | C17 | C18 | 102.0° | 101.1° |
| C54 | C17 | C55 | 110.3° | 111.0° |
| C54 | C17 | C18 | 112.5° | 111.1° |
| C17 | C54 | H541 | 109.5° | 109.5° |
| C17 | C54 | H542 | 109.5° | 109.5° |
| C17 | C54 | H543 | 109.5° | 109.4° |
| C55 | C17 | C18 | 109.2° | 111.1° |
| C17 | C55 | C56 | 117.3° | 109.5° |
| C17 | C55 | H551 | 107.5° | 109.4° |
| C17 | C55 | H552 | 107.5° | 109.5° |
| C17 | C18 | C60 | 116.2° | 110.7° |
| C17 | C18 | C19 | 100.7° | 103.5° |
| C17 | C18 | H18 | 106.2° | 110.6° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H543 | 109.4° | 109.5° |
| H542 | C54 | H543 | 109.5° | 109.5° |
| C56 | C55 | H551 | 107.5° | 109.4° |
| C56 | C55 | H552 | 107.5° | 109.5° |
| C55 | C56 | C57 | 108.2° | 109.5° |
| C55 | C56 | H561 | 109.8° | 109.5° |
| C55 | C56 | H562 | 109.8° | 109.5° |
| H551 | C55 | H552 | 109.5° | 109.5° |
| C57 | C56 | H561 | 109.8° | 109.4° |
| C57 | C56 | H562 | 109.8° | 109.5° |
| C56 | C57 | O58 | 119.2° | 120.0° |
| C56 | C57 | N59 | 116.6° | 120.0° |
| H561 | C56 | H562 | 109.5° | 109.4° |
| O58 | C57 | N59 | 124.1° | 120.0° |
| C57 | N59 | C1P | 123.3° | 120.0° |
| C57 | N59 | H59 | 118.3° | 120.0° |
| C1P | N59 | H59 | 118.4° | 120.0° |
| N59 | C1P | C2P | 112.3° | 109.5° |
| N59 | C1P | H1P1 | 108.8° | 109.5° |
| N59 | C1P | H1P2 | 108.7° | 109.4° |
| C60 | C18 | C19 | 120.1° | 110.7° |
| C60 | C18 | H18 | 106.2° | 110.5° |
| C18 | C60 | C61 | 111.3° | 109.5° |
| C18 | C60 | H601 | 109.0° | 109.5° |
| C18 | C60 | H602 | 109.0° | 109.5° |
| C19 | C18 | H18 | 106.4° | 110.7° |
| C61 | C60 | H601 | 109.0° | 109.4° |
| C61 | C60 | H602 | 109.0° | 109.5° |
| C60 | C61 | O63 | 122.2° | 120.0° |
| C60 | C61 | N62 | 116.8° | 120.0° |
| H601 | C60 | H602 | 109.5° | 109.5° |
| O63 | C61 | N62 | 121.0° | 120.0° |
| C61 | N62 | H621 | 120.0° | 120.0° |
| C61 | N62 | H622 | 120.0° | 119.9° |
| H621 | N62 | H622 | 120.0° | 120.0° |
| C2P | C1P | H1P1 | 108.8° | 109.5° |
| C2P | C1P | H1P2 | 108.8° | 109.4° |
| C1P | C2P | C3P | 110.1° | 109.5° |
| C1P | C2P | O3 | 107.9° | 109.5° |
| C1P | C2P | H2P | 109.4° | 109.4° |
| H1P1 | C1P | H1P2 | 109.5° | 109.5° |
| C3P | C2P | O3 | 110.0° | 109.5° |
| C3P | C2P | H2P | 109.0° | 109.5° |
| C2P | C3P | H3P1 | 109.5° | 109.5° |
| C2P | C3P | H3P2 | 109.5° | 109.4° |
| C2P | C3P | H3P3 | 109.4° | 109.5° |
| O3 | C2P | H2P | 110.4° | 109.4° |
| C2P | O3 | P | 123.3° | 123.0° |
| H3P1 | C3P | H3P2 | 109.5° | 109.5° |
| H3P1 | C3P | H3P3 | 109.5° | 109.5° |
| H3P2 | C3P | H3P3 | 109.5° | 109.5° |
| O3 | P | O4 | 110.5° | 109.5° |
| O3 | P | O5 | 108.3° | 109.4° |
| O3 | P | O2 | 105.1° | 109.5° |
| O4 | P | O5 | 117.9° | 109.4° |
| O4 | P | O2 | 105.9° | 109.5° |
| P | O5 | HOP5 | 109.5° | 114.0° |
| O5 | P | O2 | 108.2° | 109.5° |
| P | O2 | C3R | 126.0° | 123.0° |
| O2 | C3R | C2R | 112.2° | 110.5° |
| O2 | C3R | C4R | 108.6° | 110.5° |
| O2 | C3R | H3R | 111.5° | 110.5° |
| C2R | C3R | C4R | 104.4° | 104.0° |
| C2R | C3R | H3R | 110.0° | 110.5° |
| C3R | C2R | O7R | 115.9° | 110.5° |
| C3R | C2R | C1R | 104.4° | 104.1° |
| C3R | C2R | H2R | 108.0° | 110.5° |
| C4R | C3R | H3R | 109.9° | 110.7° |
| C3R | C4R | O6R | 105.3° | 104.8° |
| C3R | C4R | C5R | 116.0° | 110.3° |
| C3R | C4R | H4R | 107.7° | 110.4° |
| O7R | C2R | C1R | 110.6° | 110.5° |
| O7R | C2R | H2R | 109.5° | 110.5° |
| C2R | O7R | HOR7 | 109.5° | 114.0° |
| C1R | C2R | H2R | 108.1° | 110.6° |
| C2R | C1R | O6R | 103.3° | 104.8° |
| C2R | C1R | N1B | 116.5° | 110.4° |
| C2R | C1R | H1R | 109.6° | 110.3° |
| O6R | C1R | N1B | 106.7° | 110.4° |
| O6R | C1R | H1R | 110.9° | 110.4° |
| C1R | O6R | C4R | 108.5° | 105.3° |
| N1B | C1R | H1R | 109.7° | 110.4° |
| C1R | N1B | C8B | 122.1° | 126.3° |
| C1R | N1B | C2B | 129.9° | 126.4° |
| O6R | C4R | C5R | 110.7° | 110.4° |
| O6R | C4R | H4R | 109.2° | 110.4° |
| C5R | C4R | H4R | 107.7° | 110.4° |
| C4R | C5R | O8R | 112.2° | 109.5° |
| C4R | C5R | H5R1 | 108.8° | 109.5° |
| C4R | C5R | H5R2 | 108.8° | 109.4° |
| O8R | C5R | H5R1 | 108.8° | 109.5° |
| O8R | C5R | H5R2 | 108.8° | 109.5° |
| C5R | O8R | HOR8 | 109.5° | 114.0° |
| H5R1 | C5R | H5R2 | 109.5° | 109.5° |
| C8B | N1B | C2B | 107.9° | 107.3° |
| N1B | C8B | C9B | 107.2° | 106.0° |
| N1B | C8B | C7B | 133.2° | 134.0° |
| N1B | C2B | N3B | 110.9° | 110.2° |
| N1B | C2B | H2B | 124.6° | 124.9° |
| C9B | C8B | C7B | 119.6° | 120.0° |
| C8B | C9B | N3B | 106.1° | 107.0° |
| C8B | C9B | C4B | 118.9° | 119.5° |
| C8B | C7B | C6B | 120.4° | 119.9° |
| C8B | C7B | H7B | 119.8° | 120.0° |
| N3B | C2B | H2B | 124.6° | 124.9° |
| C2B | N3B | C9B | 107.8° | 109.6° |
| N3B | C9B | C4B | 135.0° | 133.5° |
| C9B | C4B | C5B | 120.0° | 119.7° |
| C9B | C4B | H4B | 120.0° | 120.1° |
| C5B | C4B | H4B | 120.0° | 120.1° |
| C4B | C5B | C6B | 120.4° | 120.4° |
| C4B | C5B | O5M | 121.9° | 119.8° |
| C6B | C5B | O5M | 117.7° | 119.8° |
| C5B | C6B | C7B | 120.7° | 120.4° |
| C5B | C6B | H6B | 119.7° | 119.8° |
| C5B | O5M | C5O | 120.1° | 117.0° |
| C7B | C6B | H6B | 119.6° | 119.8° |
| C6B | C7B | H7B | 119.8° | 120.1° |
| O5M | C5O | HO51 | 109.5° | 109.5° |
| O5M | C5O | HO52 | 109.5° | 109.4° |
| O5M | C5O | HO53 | 109.5° | 109.5° |
| HO51 | C5O | HO52 | 109.5° | 109.5° |
| HO51 | C5O | HO53 | 109.4° | 109.5° |
| HO52 | C5O | HO53 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | CO | N22 | N23 | 179.9° | 148.7° |
| N21 | CO | N22 | N24 | 53.7° | 101.2° |
| N21 | CO | N23 | N24 | 7.3° | 108.6° |
| CO | N21 | C1 | C4 | 176.9° | 155.2° |
| N21 | CO | N22 | C6 | 12.4° | 3.8° |
| N21 | CO | N22 | C9 | 172.1° | 151.2° |
| N21 | CO | N23 | C11 | 178.6° | 107.8° |
| N21 | CO | N23 | C14 | 5.5° | 102.7° |
| N21 | CO | N24 | C16 | 176.0° | 154.2° |
| N21 | CO | N24 | C19 | 1.0° | 7.1° |
| CO | N21 | C1 | C20 | 83.9° | 91.2° |
| CO | N21 | C1 | C2 | 153.2° | 153.8° |
| CO | N21 | C1 | C19 | 23.4° | 27.1° |
| CO | N21 | C4 | C3 | 173.7° | 169.8° |
| CO | N21 | C4 | C5 | 3.7° | 3.8° |
| N22 | CO | N23 | N24 | 171.2° | 129.5° |
| N22 | CO | N21 | C1 | 174.6° | 146.8° |
| N22 | CO | N21 | C4 | 9.2° | 1.9° |
| CO | N22 | C6 | C9 | 176.1° | 156.3° |
| N22 | CO | N23 | C11 | 2.8° | 14.0° |
| N22 | CO | N23 | C14 | 176.0° | 135.5° |
| N22 | CO | N24 | C16 | 129.6° | 102.9° |
| N22 | CO | N24 | C19 | 53.4° | 109.9° |
| CO | N22 | C6 | C5 | 10.8° | 8.0° |
| CO | N22 | C6 | C7 | 166.2° | 178.9° |
| CO | N22 | C9 | C8 | 174.0° | 172.4° |
| CO | N22 | C9 | C10 | 9.9° | 14.1° |
| N23 | CO | N21 | C1 | 6.8° | 89.9° |
| N23 | CO | N21 | C4 | 169.3° | 121.4° |
| N23 | CO | N22 | C6 | 167.5° | 152.4° |
| N23 | CO | N22 | C9 | 8.0° | 2.6° |
| CO | N23 | C11 | C14 | 174.1° | 152.8° |
| N23 | CO | N24 | C16 | 3.3° | 9.4° |
| N23 | CO | N24 | C19 | 179.7° | 137.7° |
| CO | N23 | C11 | C10 | 0.9° | 20.1° |
| CO | N23 | C11 | C12 | 177.9° | 164.7° |
| CO | N23 | C14 | C13 | 166.5° | 173.6° |
| CO | N23 | C14 | C15 | 13.5° | 16.5° |
| N24 | CO | N21 | C1 | 14.2° | 19.9° |
| N24 | CO | N21 | C4 | 162.0° | 128.8° |
| N24 | CO | N22 | C6 | 41.3° | 97.4° |
| N24 | CO | N22 | C9 | 134.2° | 107.6° |
| N24 | CO | N23 | C11 | 174.1° | 143.5° |
| N24 | CO | N23 | C14 | 12.8° | 6.0° |
| CO | N24 | C16 | C19 | 177.1° | 145.7° |
| CO | N24 | C19 | C1 | 14.9° | 8.4° |
| CO | N24 | C16 | C15 | 7.0° | 14.3° |
| CO | N24 | C16 | C17 | 171.2° | 172.5° |
| CO | N24 | C19 | C18 | 178.9° | 174.5° |
| N21 | C1 | C19 | N24 | 23.3° | 24.5° |
| N21 | C1 | C20 | C2 | 115.3° | 110.9° |
| N21 | C1 | C20 | C19 | 108.7° | 119.5° |
| N21 | C1 | C2 | C19 | 116.5° | 121.4° |
| N21 | C1 | C20 | H201 | 180.0° | 51.6° |
| N21 | C1 | C20 | H202 | 60.0° | 171.6° |
| N21 | C1 | C20 | H203 | 60.0° | 68.4° |
| N21 | C1 | C2 | C25 | 153.8° | 141.6° |
| N21 | C1 | C2 | C26 | 78.8° | 94.0° |
| N21 | C1 | C2 | C3 | 32.7° | 23.8° |
| C1 | N21 | C4 | C3 | 2.7° | 23.6° |
| C1 | N21 | C4 | C5 | 180.0° | 142.3° |
| N21 | C1 | C19 | C18 | 173.6° | 160.0° |
| C4 | N21 | C1 | C20 | 99.2° | 113.6° |
| C4 | N21 | C1 | C2 | 23.6° | 1.3° |
| C4 | N21 | C1 | C19 | 153.4° | 128.1° |
| N21 | C4 | C3 | C2 | 19.5° | 37.2° |
| N21 | C4 | C3 | C30 | 108.4° | 80.7° |
| N21 | C4 | C3 | C5 | 177.4° | 161.4° |
| N21 | C4 | C3 | H3 | 132.9° | 155.1° |
| N21 | C4 | C5 | C35 | 177.5° | 179.9° |
| N21 | C4 | C5 | C6 | 2.4° | 0.1° |
| N22 | C6 | C5 | C4 | 1.5° | 6.2° |
| N22 | C6 | C5 | C35 | 178.6° | 173.8° |
| N22 | C6 | C5 | C7 | 176.6° | 171.8° |
| N22 | C6 | C7 | C36 | 144.2° | 125.5° |
| N22 | C6 | C7 | C37 | 91.4° | 111.5° |
| N22 | C6 | C7 | C8 | 23.9° | 7.1° |
| C6 | N22 | C9 | C8 | 9.8° | 31.4° |
| C6 | N22 | C9 | C10 | 166.3° | 142.1° |
| C9 | N22 | C6 | C5 | 173.0° | 148.3° |
| C9 | N22 | C6 | C7 | 9.9° | 24.8° |
| N22 | C9 | C8 | C7 | 25.1° | 23.1° |
| N22 | C9 | C8 | C41 | 96.1° | 141.4° |
| N22 | C9 | C8 | C10 | 176.3° | 172.8° |
| N22 | C9 | C8 | H8 | 142.0° | 95.3° |
| N22 | C9 | C10 | C11 | 4.6° | 10.8° |
| N22 | C9 | C10 | H10 | 175.4° | 169.2° |
| N23 | C11 | C10 | C9 | 1.3° | 8.2° |
| N23 | C11 | C10 | C12 | 176.7° | 173.6° |
| N23 | C11 | C10 | H10 | 178.7° | 171.8° |
| N23 | C11 | C12 | C46 | 137.1° | 86.5° |
| N23 | C11 | C12 | C47 | 100.7° | 149.4° |
| N23 | C11 | C12 | C13 | 12.8° | 31.4° |
| C11 | N23 | C14 | C13 | 7.6° | 33.8° |
| C11 | N23 | C14 | C15 | 172.4° | 136.1° |
| C14 | N23 | C11 | C10 | 173.2° | 132.7° |
| C14 | N23 | C11 | C12 | 3.7° | 42.5° |
| N23 | C14 | C13 | C12 | 15.3° | 10.9° |
| N23 | C14 | C13 | C48 | 109.7° | 107.4° |
| N23 | C14 | C13 | C15 | 179.9° | 169.6° |
| N23 | C14 | C13 | H13 | 130.4° | 129.2° |
| N23 | C14 | C15 | C53 | 178.8° | 167.5° |
| N23 | C14 | C15 | C16 | 0.5° | 12.5° |
| C16 | N24 | C19 | C1 | 162.6° | 144.0° |
| N24 | C16 | C15 | C14 | 10.0° | 3.6° |
| N24 | C16 | C15 | C53 | 170.8° | 176.3° |
| N24 | C16 | C15 | C17 | 178.0° | 169.7° |
| N24 | C16 | C17 | C54 | 103.3° | 89.0° |
| N24 | C16 | C17 | C55 | 133.6° | 146.9° |
| N24 | C16 | C17 | C18 | 14.3° | 28.9° |
| C16 | N24 | C19 | C18 | 3.5° | 33.0° |
| N24 | C19 | C1 | C20 | 88.9° | 93.9° |
| N24 | C19 | C1 | C2 | 139.8° | 142.0° |
| N24 | C19 | C1 | C18 | 163.2° | 175.5° |
| C19 | N24 | C16 | C15 | 170.1° | 131.4° |
| C19 | N24 | C16 | C17 | 11.6° | 41.8° |
| N24 | C19 | C18 | C17 | 5.7° | 10.4° |
| N24 | C19 | C18 | C60 | 134.7° | 108.2° |
| N24 | C19 | C18 | H18 | 104.8° | 128.9° |
| C20 | C1 | C2 | C19 | 125.5° | 123.8° |
| 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 | 35.9° | 26.8° |
| C20 | C1 | C2 | C26 | 163.3° | 151.1° |
| C20 | C1 | C2 | C3 | 85.3° | 91.0° |
| C20 | C1 | C19 | C18 | 74.2° | 81.5° |
| C2 | C1 | C20 | H201 | 64.7° | 162.5° |
| C2 | C1 | C20 | H202 | 55.3° | 77.5° |
| C2 | C1 | C20 | H203 | 175.3° | 42.5° |
| C1 | C2 | C25 | C26 | 129.2° | 124.5° |
| C1 | C2 | C25 | C3 | 112.7° | 111.1° |
| C1 | C2 | C26 | C3 | 107.3° | 111.1° |
| C1 | C2 | C25 | H251 | 180.0° | 66.9° |
| C1 | C2 | C25 | H252 | 60.0° | 173.1° |
| C1 | C2 | C25 | H253 | 60.0° | 53.1° |
| C1 | C2 | C26 | C27 | 174.6° | 171.6° |
| C1 | C2 | C26 | H261 | 54.0° | 68.4° |
| C1 | C2 | C26 | H262 | 64.9° | 51.6° |
| C1 | C2 | C3 | C30 | 92.9° | 81.4° |
| C1 | C2 | C3 | C4 | 30.6° | 36.5° |
| C1 | C2 | C3 | H3 | 144.4° | 154.5° |
| C2 | C1 | C19 | C18 | 57.1° | 42.5° |
| C19 | C1 | C20 | H201 | 71.4° | 67.9° |
| C19 | C1 | C20 | H202 | 168.7° | 52.1° |
| C19 | C1 | C20 | H203 | 48.7° | 172.1° |
| C19 | C1 | C2 | C25 | 89.6° | 97.0° |
| C19 | C1 | C2 | C26 | 37.8° | 27.4° |
| C19 | C1 | C2 | C3 | 149.3° | 145.2° |
| C1 | C19 | C18 | C17 | 168.9° | 165.4° |
| C1 | C19 | C18 | C60 | 62.2° | 76.0° |
| C1 | C19 | C18 | H18 | 58.3° | 46.9° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C25 | C2 | C26 | C3 | 123.0° | 124.5° |
| C2 | C25 | H251 | H252 | 120.0° | 120.0° |
| C2 | C25 | H251 | H253 | 120.0° | 119.9° |
| C2 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C2 | C26 | C27 | 44.8° | 63.9° |
| C25 | C2 | C26 | H261 | 75.8° | 56.1° |
| C25 | C2 | C26 | H262 | 165.4° | 176.0° |
| C25 | C2 | C3 | C30 | 28.9° | 36.4° |
| C25 | C2 | C3 | C4 | 152.4° | 154.3° |
| C25 | C2 | C3 | H3 | 93.8° | 87.7° |
| C26 | C2 | C25 | H251 | 50.8° | 57.6° |
| C26 | C2 | C25 | H252 | 170.8° | 62.4° |
| C26 | C2 | C25 | H253 | 69.2° | 177.5° |
| C2 | C26 | C27 | H261 | 120.6° | 120.0° |
| C2 | C26 | C27 | H262 | 120.6° | 120.0° |
| C2 | C26 | H261 | H262 | 118.2° | 119.9° |
| C2 | C26 | C27 | O28 | 108.7° | 6.8° |
| C2 | C26 | C27 | N29 | 70.8° | 173.3° |
| C26 | C2 | C3 | C30 | 149.5° | 160.8° |
| C26 | C2 | C3 | C4 | 87.0° | 81.3° |
| C26 | C2 | C3 | H3 | 26.8° | 36.7° |
| C3 | C2 | C25 | H251 | 67.4° | 177.9° |
| C3 | C2 | C25 | H252 | 52.7° | 62.1° |
| C3 | C2 | C25 | H253 | 172.7° | 58.0° |
| C3 | C2 | C26 | C27 | 78.2° | 60.5° |
| C3 | C2 | C26 | H261 | 161.3° | 179.4° |
| C3 | C2 | C26 | H262 | 42.4° | 59.5° |
| C2 | C3 | C30 | C4 | 118.4° | 111.5° |
| C2 | C3 | C30 | H3 | 122.6° | 124.2° |
| C2 | C3 | C4 | H3 | 113.4° | 117.9° |
| C2 | C3 | C30 | C31 | 87.2° | 177.8° |
| C2 | C3 | C30 | H301 | 152.5° | 62.2° |
| C2 | C3 | C30 | H302 | 33.1° | 57.9° |
| C2 | C3 | C4 | C5 | 157.9° | 124.3° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| C27 | C26 | H261 | H262 | 118.2° | 120.1° |
| C26 | C27 | O28 | N29 | 179.5° | 179.9° |
| C26 | C27 | N29 | H291 | 179.6° | 0.0° |
| C26 | C27 | N29 | H292 | 0.5° | 180.0° |
| H261 | C26 | C27 | O28 | 11.9° | 126.8° |
| H261 | C26 | C27 | N29 | 168.6° | 53.3° |
| H262 | C26 | C27 | O28 | 130.7° | 113.2° |
| H262 | C26 | C27 | N29 | 49.7° | 66.7° |
| O28 | C27 | N29 | H291 | 0.0° | 180.0° |
| O28 | C27 | N29 | H292 | 180.0° | 0.1° |
| C27 | N29 | H291 | H292 | 180.0° | 179.9° |
| C30 | C3 | C4 | H3 | 118.7° | 124.2° |
| C3 | C30 | C31 | H301 | 120.3° | 120.0° |
| C3 | C30 | C31 | H302 | 120.3° | 120.0° |
| C3 | C30 | H301 | H302 | 119.0° | 120.1° |
| C3 | C30 | C31 | C32 | 172.8° | 180.0° |
| C3 | C30 | C31 | H311 | 52.7° | 60.0° |
| C3 | C30 | C31 | H312 | 67.1° | 59.9° |
| C30 | C3 | C4 | C5 | 74.2° | 117.8° |
| C4 | C3 | C30 | C31 | 154.4° | 70.6° |
| C4 | C3 | C30 | H301 | 34.1° | 49.3° |
| C4 | C3 | C30 | H302 | 85.3° | 169.4° |
| C3 | C4 | C5 | C35 | 0.4° | 19.9° |
| C3 | C4 | C5 | C6 | 179.5° | 160.1° |
| H3 | C3 | C30 | C31 | 35.4° | 53.6° |
| H3 | C3 | C30 | H301 | 84.9° | 173.6° |
| H3 | C3 | C30 | H302 | 155.7° | 66.3° |
| H3 | C3 | C4 | C5 | 44.5° | 6.3° |
| C31 | C30 | H301 | H302 | 119.0° | 119.9° |
| C30 | C31 | C32 | H311 | 120.1° | 120.0° |
| C30 | C31 | C32 | H312 | 120.1° | 120.1° |
| C30 | C31 | H311 | H312 | 119.8° | 119.9° |
| C30 | C31 | C32 | O34 | 116.9° | 0.0° |
| C30 | C31 | C32 | N33 | 62.5° | 180.0° |
| H301 | C30 | C31 | C32 | 66.9° | 60.0° |
| H301 | C30 | C31 | H311 | 173.1° | 180.0° |
| H301 | C30 | C31 | H312 | 53.2° | 60.1° |
| H302 | C30 | C31 | C32 | 52.5° | 59.9° |
| H302 | C30 | C31 | H311 | 67.6° | 60.1° |
| H302 | C30 | C31 | H312 | 172.6° | 179.9° |
| C32 | C31 | H311 | H312 | 119.8° | 120.0° |
| C31 | C32 | O34 | N33 | 179.3° | 180.0° |
| C31 | C32 | N33 | H331 | 179.3° | 0.0° |
| C31 | C32 | N33 | H332 | 0.7° | 180.0° |
| H311 | C31 | C32 | O34 | 3.2° | 120.0° |
| H311 | C31 | C32 | N33 | 177.5° | 60.0° |
| H312 | C31 | C32 | O34 | 123.1° | 120.0° |
| H312 | C31 | C32 | N33 | 57.6° | 59.9° |
| O34 | C32 | N33 | H331 | 0.0° | 180.0° |
| O34 | C32 | N33 | H332 | 180.0° | 0.0° |
| C32 | N33 | H331 | H332 | 179.9° | 180.0° |
| C4 | C5 | C35 | C6 | 179.9° | 180.0° |
| C4 | C5 | C35 | H351 | 180.0° | 30.6° |
| C4 | C5 | C35 | H352 | 60.0° | 150.5° |
| C4 | C5 | C35 | H353 | 60.0° | 89.4° |
| C4 | C5 | C6 | C7 | 175.0° | 178.0° |
| 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 | 4.8° | 2.0° |
| C6 | C5 | C35 | H351 | 0.1° | 149.4° |
| C6 | C5 | C35 | H352 | 120.1° | 29.4° |
| C6 | C5 | C35 | H353 | 119.9° | 90.6° |
| C5 | C6 | C7 | C36 | 38.8° | 47.8° |
| C5 | C6 | C7 | C37 | 85.5° | 75.2° |
| C5 | C6 | C7 | C8 | 159.1° | 166.2° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| C6 | C7 | C36 | C37 | 122.2° | 123.0° |
| C6 | C7 | C36 | C8 | 112.8° | 113.8° |
| C6 | C7 | C37 | C8 | 106.1° | 113.9° |
| C6 | C7 | C36 | H361 | 180.0° | 66.7° |
| C6 | C7 | C36 | H362 | 60.0° | 173.2° |
| C6 | C7 | C36 | H363 | 60.0° | 53.3° |
| C6 | C7 | C37 | C38 | 179.0° | 53.4° |
| C6 | C7 | C37 | H371 | 58.5° | 173.4° |
| C6 | C7 | C37 | H372 | 60.5° | 66.6° |
| C6 | C7 | C8 | C41 | 91.8° | 127.6° |
| C6 | C7 | C8 | C9 | 26.2° | 9.3° |
| C6 | C7 | C8 | H8 | 143.3° | 109.2° |
| C36 | C7 | C37 | C8 | 125.4° | 123.1° |
| C7 | C36 | H361 | H362 | 120.0° | 120.0° |
| C7 | C36 | H361 | H363 | 120.0° | 120.0° |
| C7 | C36 | H362 | H363 | 120.0° | 120.0° |
| C36 | C7 | C37 | C38 | 50.5° | 176.4° |
| C36 | C7 | C37 | H371 | 70.1° | 63.6° |
| C36 | C7 | C37 | H372 | 171.0° | 56.4° |
| C36 | C7 | C8 | C41 | 32.5° | 9.2° |
| C36 | C7 | C8 | C9 | 150.5° | 109.2° |
| C36 | C7 | C8 | H8 | 92.3° | 132.4° |
| C37 | C7 | C36 | H361 | 57.8° | 56.3° |
| C37 | C7 | C36 | H362 | 177.8° | 63.8° |
| C37 | C7 | C36 | H363 | 62.2° | 176.3° |
| C7 | C37 | C38 | H371 | 120.5° | 120.0° |
| C7 | C37 | C38 | H372 | 120.5° | 120.0° |
| C7 | C37 | H371 | H372 | 118.4° | 120.0° |
| C7 | C37 | C38 | O39 | 86.3° | 1.3° |
| C7 | C37 | C38 | N40 | 93.3° | 178.8° |
| C37 | C7 | C8 | C41 | 157.0° | 113.9° |
| C37 | C7 | C8 | C9 | 85.0° | 127.8° |
| C37 | C7 | C8 | H8 | 32.1° | 9.3° |
| C8 | C7 | C36 | H361 | 67.2° | 179.4° |
| C8 | C7 | C36 | H362 | 52.8° | 59.4° |
| C8 | C7 | C36 | H363 | 172.8° | 60.6° |
| C8 | C7 | C37 | C38 | 74.9° | 60.5° |
| C8 | C7 | C37 | H371 | 164.6° | 59.5° |
| C8 | C7 | C37 | H372 | 45.6° | 179.5° |
| C7 | C8 | C41 | C9 | 112.7° | 113.3° |
| C7 | C8 | C41 | H8 | 125.0° | 123.3° |
| C7 | C8 | C9 | H8 | 116.9° | 118.4° |
| C7 | C8 | C41 | C42 | 177.6° | 169.9° |
| C7 | C8 | C41 | H411 | 61.4° | 70.0° |
| C7 | C8 | C41 | H412 | 56.7° | 50.0° |
| C7 | C8 | C9 | C10 | 151.2° | 149.7° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| C38 | C37 | H371 | H372 | 118.4° | 120.0° |
| C37 | C38 | O39 | N40 | 179.5° | 179.9° |
| C37 | C38 | N40 | H401 | 179.5° | 0.0° |
| C37 | C38 | N40 | H402 | 0.4° | 180.0° |
| H371 | C37 | C38 | O39 | 34.3° | 118.7° |
| H371 | C37 | C38 | N40 | 146.2° | 61.2° |
| H372 | C37 | C38 | O39 | 153.2° | 121.3° |
| H372 | C37 | C38 | N40 | 27.2° | 58.8° |
| O39 | C38 | N40 | H401 | 0.0° | 180.0° |
| O39 | C38 | N40 | H402 | 180.0° | 0.1° |
| C38 | N40 | H401 | H402 | 180.0° | 180.0° |
| C41 | C8 | C9 | H8 | 122.0° | 123.3° |
| C8 | C41 | C42 | H411 | 121.0° | 120.0° |
| C8 | C41 | C42 | H412 | 121.0° | 119.9° |
| C8 | C41 | H411 | H412 | 116.9° | 120.0° |
| C8 | C41 | C42 | C43 | 172.0° | 179.9° |
| C8 | C41 | C42 | H421 | 68.6° | 59.9° |
| C8 | C41 | C42 | H422 | 52.7° | 60.1° |
| C41 | C8 | C9 | C10 | 87.7° | 31.4° |
| C9 | C8 | C41 | C42 | 69.6° | 76.8° |
| C9 | C8 | C41 | H411 | 51.4° | 43.3° |
| C9 | C8 | C41 | H412 | 169.4° | 163.3° |
| C8 | C9 | C10 | C11 | 179.6° | 177.5° |
| C8 | C9 | C10 | H10 | 0.4° | 2.5° |
| H8 | C8 | C41 | C42 | 52.7° | 46.7° |
| H8 | C8 | C41 | H411 | 173.7° | 166.7° |
| H8 | C8 | C41 | H412 | 68.3° | 73.3° |
| H8 | C8 | C9 | C10 | 34.3° | 91.9° |
| C42 | C41 | H411 | H412 | 116.8° | 120.0° |
| C41 | C42 | C43 | H421 | 119.3° | 120.0° |
| C41 | C42 | C43 | H422 | 119.4° | 120.0° |
| C41 | C42 | H421 | H422 | 122.0° | 120.1° |
| C41 | C42 | C43 | O44 | 96.1° | 0.0° |
| C41 | C42 | C43 | N45 | 82.2° | 180.0° |
| H411 | C41 | C42 | C43 | 51.0° | 60.1° |
| H411 | C41 | C42 | H421 | 170.4° | 179.9° |
| H411 | C41 | C42 | H422 | 68.3° | 59.9° |
| H412 | C41 | C42 | C43 | 67.0° | 59.9° |
| H412 | C41 | C42 | H421 | 52.4° | 60.0° |
| H412 | C41 | C42 | H422 | 173.7° | 179.9° |
| C43 | C42 | H421 | H422 | 121.9° | 119.9° |
| C42 | C43 | O44 | N45 | 178.1° | 179.9° |
| C42 | C43 | N45 | H451 | 178.2° | 0.1° |
| C42 | C43 | N45 | H452 | 1.7° | 180.0° |
| H421 | C42 | C43 | O44 | 23.3° | 120.0° |
| H421 | C42 | C43 | N45 | 158.5° | 60.0° |
| H422 | C42 | C43 | O44 | 144.6° | 120.0° |
| H422 | C42 | C43 | N45 | 37.2° | 59.9° |
| O44 | C43 | N45 | H451 | 0.0° | 180.0° |
| O44 | C43 | N45 | H452 | 180.0° | 0.1° |
| C43 | N45 | H451 | H452 | 180.0° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 178.0° | 178.3° |
| C10 | C11 | C12 | C46 | 40.0° | 99.2° |
| C10 | C11 | C12 | C47 | 82.2° | 25.0° |
| C10 | C11 | C12 | C13 | 164.3° | 143.0° |
| H10 | C10 | C11 | C12 | 2.0° | 1.7° |
| C11 | C12 | C46 | C47 | 120.5° | 124.3° |
| C11 | C12 | C46 | C13 | 114.6° | 111.5° |
| C11 | C12 | C47 | C13 | 108.3° | 111.5° |
| C11 | C12 | C46 | H461 | 180.0° | 61.5° |
| C11 | C12 | C46 | H462 | 60.0° | 178.5° |
| C11 | C12 | C46 | H463 | 60.0° | 58.6° |
| C11 | C12 | C47 | H471 | 180.0° | 58.6° |
| C11 | C12 | C47 | H472 | 60.0° | 178.5° |
| C11 | C12 | C47 | H473 | 60.0° | 61.5° |
| C11 | C12 | C13 | C48 | 106.7° | 130.4° |
| C11 | C12 | C13 | C14 | 15.2° | 12.1° |
| C11 | C12 | C13 | H13 | 130.3° | 106.4° |
| C46 | C12 | C47 | C13 | 129.5° | 124.3° |
| C12 | C46 | H461 | H462 | 120.0° | 120.0° |
| C12 | C46 | H461 | H463 | 120.0° | 120.1° |
| C12 | C46 | H462 | H463 | 120.0° | 120.0° |
| C46 | C12 | C47 | H471 | 57.7° | 177.2° |
| C46 | C12 | C47 | H472 | 62.2° | 57.2° |
| C46 | C12 | C47 | H473 | 177.8° | 62.8° |
| C46 | C12 | C13 | C48 | 13.7° | 12.5° |
| C46 | C12 | C13 | C14 | 135.6° | 105.8° |
| C46 | C12 | C13 | H13 | 109.3° | 135.7° |
| C47 | C12 | C46 | H461 | 59.6° | 62.8° |
| C47 | C12 | C46 | H462 | 179.5° | 57.2° |
| C47 | C12 | C46 | H463 | 60.5° | 177.2° |
| C12 | C47 | H471 | H472 | 120.0° | 119.9° |
| C12 | C47 | H471 | H473 | 120.0° | 120.0° |
| C12 | C47 | H472 | H473 | 120.0° | 120.0° |
| C47 | C12 | C13 | C48 | 140.0° | 111.7° |
| C47 | C12 | C13 | C14 | 98.2° | 130.0° |
| C47 | C12 | C13 | H13 | 17.0° | 11.5° |
| C13 | C12 | C46 | H461 | 65.3° | 172.9° |
| C13 | C12 | C46 | H462 | 54.6° | 67.1° |
| C13 | C12 | C46 | H463 | 174.6° | 52.9° |
| C13 | C12 | C47 | H471 | 71.7° | 52.9° |
| C13 | C12 | C47 | H472 | 168.3° | 67.0° |
| C13 | C12 | C47 | H473 | 48.3° | 173.0° |
| C12 | C13 | C48 | C14 | 116.8° | 113.2° |
| C12 | C13 | C48 | H13 | 123.1° | 123.3° |
| C12 | C13 | C14 | H13 | 115.1° | 118.4° |
| C12 | C13 | C48 | C49 | 95.2° | 175.0° |
| C12 | C13 | C48 | H481 | 144.4° | 65.0° |
| C12 | C13 | C48 | H482 | 25.2° | 55.0° |
| C12 | C13 | C14 | C15 | 164.7° | 158.7° |
| H461 | C46 | H462 | H463 | 120.0° | 120.0° |
| H471 | C47 | H472 | H473 | 120.0° | 120.1° |
| C48 | C13 | C14 | H13 | 119.9° | 123.4° |
| C13 | C48 | C49 | H481 | 120.4° | 120.0° |
| C13 | C48 | C49 | H482 | 120.4° | 120.0° |
| C13 | C48 | H481 | H482 | 118.8° | 120.1° |
| C13 | C48 | C49 | C50 | 178.8° | 180.0° |
| C13 | C48 | C49 | H491 | 58.9° | 59.9° |
| C13 | C48 | C49 | H492 | 61.3° | 60.0° |
| C48 | C13 | C14 | C15 | 70.4° | 83.0° |
| C14 | C13 | C48 | C49 | 148.0° | 71.8° |
| C14 | C13 | C48 | H481 | 27.6° | 48.2° |
| C14 | C13 | C48 | H482 | 91.6° | 168.2° |
| C13 | C14 | C15 | C53 | 1.1° | 0.2° |
| C13 | C14 | C15 | C16 | 179.6° | 179.7° |
| H13 | C13 | C48 | C49 | 27.9° | 51.7° |
| H13 | C13 | C48 | H481 | 92.5° | 171.7° |
| H13 | C13 | C48 | H482 | 148.3° | 68.3° |
| H13 | C13 | C14 | C15 | 49.6° | 40.4° |
| C49 | C48 | H481 | H482 | 118.8° | 119.9° |
| C48 | C49 | C50 | H491 | 119.9° | 120.0° |
| C48 | C49 | C50 | H492 | 119.9° | 120.0° |
| C48 | C49 | H491 | H492 | 120.4° | 119.9° |
| C48 | C49 | C50 | O51 | 43.6° | 0.0° |
| C48 | C49 | C50 | N52 | 136.1° | 180.0° |
| H481 | C48 | C49 | C50 | 60.8° | 60.0° |
| H481 | C48 | C49 | H491 | 179.3° | 180.0° |
| H481 | C48 | C49 | H492 | 59.1° | 60.1° |
| H482 | C48 | C49 | C50 | 58.4° | 60.0° |
| H482 | C48 | C49 | H491 | 61.4° | 60.1° |
| H482 | C48 | C49 | H492 | 178.3° | NaN° |
| C50 | C49 | H491 | H492 | 120.4° | 120.0° |
| C49 | C50 | O51 | N52 | 179.6° | 179.9° |
| C49 | C50 | N52 | H521 | 179.7° | 0.0° |
| C49 | C50 | N52 | H522 | 0.4° | 180.0° |
| H491 | C49 | C50 | O51 | 163.5° | 120.1° |
| H491 | C49 | C50 | N52 | 16.2° | 60.0° |
| H492 | C49 | C50 | O51 | 76.3° | 120.0° |
| H492 | C49 | C50 | N52 | 104.1° | 60.0° |
| O51 | C50 | N52 | H521 | 0.0° | 179.9° |
| O51 | C50 | N52 | H522 | 180.0° | 0.0° |
| C50 | N52 | H521 | H522 | 180.0° | 180.0° |
| C14 | C15 | C53 | C16 | 179.3° | 180.0° |
| C14 | C15 | C53 | H531 | 180.0° | 1.6° |
| C14 | C15 | C53 | H532 | 60.0° | 121.5° |
| C14 | C15 | C53 | H533 | 60.0° | 118.5° |
| C14 | C15 | C16 | C17 | 168.0° | 173.3° |
| C15 | C53 | H531 | H532 | 120.0° | 119.9° |
| C15 | C53 | H531 | H533 | 120.0° | 120.0° |
| C15 | C53 | H532 | H533 | 120.0° | 120.0° |
| C53 | C15 | C16 | C17 | 11.3° | 6.7° |
| C16 | C15 | C53 | H531 | 0.7° | 178.4° |
| C16 | C15 | C53 | H532 | 120.8° | 58.5° |
| C16 | C15 | C53 | H533 | 119.3° | 61.5° |
| C15 | C16 | C17 | C54 | 74.9° | 100.5° |
| C15 | C16 | C17 | C55 | 48.2° | 23.6° |
| C15 | C16 | C17 | C18 | 167.4° | 141.6° |
| H531 | C53 | H532 | H533 | 120.0° | 120.1° |
| C16 | C17 | C54 | C55 | 127.4° | 124.2° |
| C16 | C17 | C54 | C18 | 110.3° | 111.7° |
| C16 | C17 | C55 | C18 | 115.3° | 111.7° |
| C16 | C17 | C54 | H541 | 180.0° | 58.5° |
| C16 | C17 | C54 | H542 | 60.0° | 178.6° |
| C16 | C17 | C54 | H543 | 60.0° | 61.5° |
| C16 | C17 | C55 | C56 | 49.0° | 62.5° |
| C16 | C17 | C55 | H551 | 72.1° | 57.5° |
| C16 | C17 | C55 | H552 | 170.1° | 177.5° |
| C16 | C17 | C18 | C60 | 142.5° | 130.3° |
| C16 | C17 | C18 | C19 | 11.1° | 11.8° |
| C16 | C17 | C18 | H18 | 99.7° | 106.8° |
| C54 | C17 | C55 | C18 | 124.2° | 124.1° |
| 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 | 169.5° | 173.4° |
| C54 | C17 | C55 | H551 | 48.4° | 66.7° |
| C54 | C17 | C55 | H552 | 69.4° | 53.3° |
| C54 | C17 | C18 | C60 | 30.2° | 12.4° |
| C54 | C17 | C18 | C19 | 101.3° | 106.2° |
| C54 | C17 | C18 | H18 | 148.0° | 135.3° |
| C55 | C17 | C54 | H541 | 52.6° | 177.3° |
| C55 | C17 | C54 | H542 | 67.4° | 57.3° |
| C55 | C17 | C54 | H543 | 172.6° | 62.7° |
| C17 | C55 | C56 | H551 | 121.1° | 120.0° |
| C17 | C55 | C56 | H552 | 121.1° | 120.1° |
| C17 | C55 | H551 | H552 | 116.4° | 120.0° |
| C17 | C55 | C56 | C57 | 167.8° | 175.2° |
| C17 | C55 | C56 | H561 | 72.4° | 64.8° |
| C17 | C55 | C56 | H562 | 48.0° | 55.1° |
| C55 | C17 | C18 | C60 | 92.7° | 111.7° |
| C55 | C17 | C18 | C19 | 135.8° | 129.7° |
| C55 | C17 | C18 | H18 | 25.1° | 11.2° |
| C18 | C17 | C54 | H541 | 69.7° | 53.2° |
| C18 | C17 | C54 | H542 | 170.3° | 66.9° |
| C18 | C17 | C54 | H543 | 50.3° | 173.2° |
| C18 | C17 | C55 | C56 | 66.3° | 49.2° |
| C18 | C17 | C55 | H551 | 172.6° | 169.2° |
| C18 | C17 | C55 | H552 | 54.8° | 70.8° |
| C17 | C18 | C60 | C19 | 121.6° | 114.1° |
| C17 | C18 | C60 | H18 | 117.8° | 122.9° |
| C17 | C18 | C19 | H18 | 110.6° | 118.5° |
| C17 | C18 | C60 | C61 | 67.7° | 50.4° |
| C17 | C18 | C60 | H601 | 52.6° | 69.5° |
| C17 | C18 | C60 | H602 | 172.0° | 170.4° |
| H541 | C54 | H542 | H543 | 120.0° | 120.0° |
| C56 | C55 | H551 | H552 | 116.5° | 120.0° |
| C55 | C56 | C57 | H561 | 119.8° | 120.0° |
| C55 | C56 | C57 | H562 | 119.8° | 120.1° |
| C55 | C56 | H561 | H562 | 120.6° | 120.0° |
| C55 | C56 | C57 | O58 | 94.3° | 0.0° |
| C55 | C56 | C57 | N59 | 82.1° | 180.0° |
| H551 | C55 | C56 | C57 | 46.7° | 55.2° |
| H551 | C55 | C56 | H561 | 166.5° | 175.2° |
| H551 | C55 | C56 | H562 | 73.1° | 64.8° |
| H552 | C55 | C56 | C57 | 71.1° | 64.7° |
| H552 | C55 | C56 | H561 | 48.7° | 55.2° |
| H552 | C55 | C56 | H562 | 169.1° | 175.2° |
| C57 | C56 | H561 | H562 | 120.6° | 120.0° |
| C56 | C57 | O58 | N59 | 176.2° | 180.0° |
| C56 | C57 | N59 | C1P | 173.6° | 180.0° |
| C56 | C57 | N59 | H59 | 6.4° | 0.0° |
| H561 | C56 | C57 | O58 | 145.9° | 120.0° |
| H561 | C56 | C57 | N59 | 37.6° | 60.0° |
| H562 | C56 | C57 | O58 | 25.5° | 120.1° |
| H562 | C56 | C57 | N59 | 158.1° | 60.0° |
| O58 | C57 | N59 | C1P | 2.7° | 0.1° |
| O58 | C57 | N59 | H59 | 177.3° | 180.0° |
| C57 | N59 | C1P | H59 | 180.0° | 180.0° |
| C57 | N59 | C1P | C2P | 84.7° | 180.0° |
| C57 | N59 | C1P | H1P1 | 35.8° | 60.0° |
| C57 | N59 | C1P | H1P2 | 154.9° | 60.1° |
| N59 | C1P | C2P | H1P1 | 120.4° | 120.1° |
| N59 | C1P | C2P | H1P2 | 120.4° | 119.9° |
| N59 | C1P | H1P1 | H1P2 | 118.7° | 120.0° |
| N59 | C1P | C2P | C3P | 177.5° | 180.0° |
| N59 | C1P | C2P | O3 | 62.4° | 59.9° |
| N59 | C1P | C2P | H2P | 57.7° | 60.0° |
| H59 | N59 | C1P | C2P | 95.3° | 0.0° |
| H59 | N59 | C1P | H1P1 | 144.3° | 120.0° |
| H59 | N59 | C1P | H1P2 | 25.1° | 120.0° |
| C60 | C18 | C19 | H18 | 120.4° | 122.9° |
| C18 | C60 | C61 | H601 | 120.3° | 119.9° |
| C18 | C60 | C61 | H602 | 120.3° | 120.1° |
| C18 | C60 | H601 | H602 | 119.1° | 120.1° |
| C18 | C60 | C61 | O63 | 102.8° | 28.7° |
| C18 | C60 | C61 | N62 | 77.5° | 151.3° |
| C19 | C18 | C60 | C61 | 170.6° | 164.5° |
| C19 | C18 | C60 | H601 | 69.1° | 44.6° |
| C19 | C18 | C60 | H602 | 50.4° | 75.5° |
| H18 | C18 | C60 | C61 | 50.1° | 72.6° |
| H18 | C18 | C60 | H601 | 170.4° | 167.5° |
| H18 | C18 | C60 | H602 | 70.2° | 47.5° |
| C61 | C60 | H601 | H602 | 119.2° | 120.0° |
| C60 | C61 | O63 | N62 | 179.7° | 180.0° |
| C60 | C61 | N62 | H621 | 179.7° | 5.0° |
| C60 | C61 | N62 | H622 | 0.3° | 175.0° |
| H601 | C60 | C61 | O63 | 17.5° | 148.6° |
| H601 | C60 | C61 | N62 | 162.3° | 31.4° |
| H602 | C60 | C61 | O63 | 136.9° | 91.4° |
| H602 | C60 | C61 | N62 | 42.8° | 88.6° |
| O63 | C61 | N62 | H621 | 0.0° | 175.0° |
| O63 | C61 | N62 | H622 | 180.0° | 5.0° |
| C61 | N62 | H621 | H622 | 180.0° | 180.0° |
| C2P | C1P | H1P1 | H1P2 | 118.7° | 120.0° |
| C1P | C2P | C3P | O3 | 118.8° | 120.0° |
| C1P | C2P | C3P | H2P | 120.1° | 120.0° |
| C1P | C2P | O3 | H2P | 119.5° | 119.9° |
| C1P | C2P | C3P | H3P1 | 180.0° | 180.0° |
| C1P | C2P | C3P | H3P2 | 60.0° | 60.0° |
| C1P | C2P | C3P | H3P3 | 60.0° | 60.0° |
| C1P | C2P | O3 | P | 127.2° | 120.0° |
| H1P1 | C1P | C2P | C3P | 57.1° | 60.0° |
| H1P1 | C1P | C2P | O3 | 177.2° | 180.0° |
| H1P1 | C1P | C2P | H2P | 62.7° | 60.1° |
| H1P2 | C1P | C2P | C3P | 62.1° | 60.0° |
| H1P2 | C1P | C2P | O3 | 58.0° | 60.0° |
| H1P2 | C1P | C2P | H2P | 178.1° | 179.9° |
| C3P | C2P | O3 | H2P | 120.3° | 120.1° |
| C2P | C3P | H3P1 | H3P2 | 120.0° | 119.9° |
| C2P | C3P | H3P1 | H3P3 | 120.0° | 120.0° |
| C2P | C3P | H3P2 | H3P3 | 120.0° | 120.0° |
| C3P | C2P | O3 | P | 112.6° | 120.0° |
| O3 | C2P | C3P | H3P1 | 61.2° | 60.0° |
| O3 | C2P | C3P | H3P2 | 178.8° | 179.9° |
| O3 | C2P | C3P | H3P3 | 58.8° | 60.0° |
| C2P | O3 | P | O4 | 27.9° | 54.9° |
| C2P | O3 | P | O5 | 158.5° | 65.0° |
| C2P | O3 | P | O2 | 86.0° | 175.0° |
| H2P | C2P | C3P | H3P1 | 60.0° | 60.0° |
| H2P | C2P | C3P | H3P2 | 60.1° | 60.0° |
| H2P | C2P | C3P | H3P3 | 179.9° | 180.0° |
| H2P | C2P | O3 | P | 7.7° | 0.1° |
| H3P1 | C3P | H3P2 | H3P3 | 120.0° | 120.0° |
| O3 | P | O4 | O5 | 125.3° | 120.0° |
| O3 | P | O4 | O2 | 113.3° | 120.0° |
| O3 | P | O5 | O2 | 113.5° | 120.0° |
| O3 | P | O5 | HOP5 | 126.4° | 60.0° |
| O3 | P | O2 | C3R | 65.5° | 175.0° |
| O4 | P | O5 | O2 | 120.1° | 120.0° |
| O4 | P | O5 | HOP5 | 0.0° | 180.0° |
| O4 | P | O2 | C3R | 177.4° | 55.0° |
| O5 | P | O2 | C3R | 50.1° | 65.0° |
| HOP5 | O5 | P | O2 | 120.1° | 60.0° |
| P | O2 | C3R | C2R | 84.5° | 120.0° |
| P | O2 | C3R | C4R | 160.6° | 125.4° |
| P | O2 | C3R | H3R | 39.4° | 2.6° |
| O2 | C3R | C2R | C4R | 117.5° | 118.6° |
| O2 | C3R | C2R | H3R | 124.7° | 122.6° |
| O2 | C3R | C4R | H3R | 122.2° | 122.7° |
| O2 | C3R | C2R | O7R | 17.1° | 0.0° |
| O2 | C3R | C2R | C1R | 104.8° | 118.6° |
| O2 | C3R | C2R | H2R | 140.3° | 122.6° |
| O2 | C3R | C4R | O6R | 130.0° | 142.6° |
| O2 | C3R | C4R | C5R | 107.3° | 98.6° |
| O2 | C3R | C4R | H4R | 13.5° | 23.7° |
| C2R | C3R | C4R | H3R | 117.9° | 118.7° |
| C3R | C2R | O7R | C1R | 118.5° | 114.6° |
| C3R | C2R | O7R | H2R | 122.4° | 122.6° |
| C3R | C2R | C1R | H2R | 114.8° | 118.7° |
| C3R | C2R | O7R | HOR7 | 180.0° | 180.0° |
| C3R | C2R | C1R | O6R | 30.9° | 24.0° |
| C3R | C2R | C1R | N1B | 85.8° | 94.8° |
| C3R | C2R | C1R | H1R | 149.1° | 142.8° |
| C2R | C3R | C4R | O6R | 10.0° | 24.0° |
| C2R | C3R | C4R | C5R | 132.8° | 142.8° |
| C2R | C3R | C4R | H4R | 106.5° | 94.9° |
| C4R | C3R | C2R | O7R | 134.5° | 118.6° |
| C4R | C3R | C2R | C1R | 12.6° | 0.0° |
| C4R | C3R | C2R | H2R | 102.3° | 118.8° |
| C3R | C4R | O6R | C1R | 31.2° | 40.5° |
| C3R | C4R | O6R | C5R | 126.1° | 118.8° |
| C3R | C4R | O6R | H4R | 115.5° | 118.8° |
| C3R | C4R | C5R | H4R | 120.8° | 122.3° |
| C3R | C4R | C5R | O8R | 82.8° | 175.0° |
| C3R | C4R | C5R | H5R1 | 156.7° | 55.0° |
| C3R | C4R | C5R | H5R2 | 37.5° | 65.0° |
| H3R | C3R | C2R | O7R | 107.7° | 122.6° |
| H3R | C3R | C2R | C1R | 130.5° | 118.8° |
| H3R | C3R | C2R | H2R | 15.6° | 0.0° |
| H3R | C3R | C4R | O6R | 107.9° | 94.7° |
| H3R | C3R | C4R | C5R | 14.9° | 24.2° |
| H3R | C3R | C4R | H4R | 135.6° | 146.5° |
| O7R | C2R | C1R | H2R | 119.9° | 122.6° |
| O7R | C2R | C1R | O6R | 156.2° | 142.6° |
| O7R | C2R | C1R | N1B | 39.6° | 23.8° |
| O7R | C2R | C1R | H1R | 85.6° | 98.6° |
| C1R | C2R | O7R | HOR7 | 61.5° | 65.4° |
| C2R | C1R | O6R | N1B | 123.4° | 118.9° |
| C2R | C1R | O6R | H1R | 117.3° | 118.8° |
| C2R | C1R | N1B | H1R | 125.1° | 122.3° |
| C2R | C1R | O6R | C4R | 39.4° | 40.5° |
| C2R | C1R | N1B | C8B | 163.6° | 80.7° |
| C2R | C1R | N1B | C2B | 20.5° | 99.0° |
| H2R | C2R | O7R | HOR7 | 57.6° | 57.4° |
| H2R | C2R | C1R | O6R | 83.9° | 94.7° |
| H2R | C2R | C1R | N1B | 159.4° | 146.4° |
| H2R | C2R | C1R | H1R | 34.2° | 24.1° |
| O6R | C1R | N1B | H1R | 120.1° | 122.3° |
| C1R | O6R | C4R | C5R | 157.3° | 159.3° |
| C1R | O6R | C4R | H4R | 84.3° | 78.3° |
| O6R | C1R | N1B | C8B | 81.7° | 164.0° |
| O6R | C1R | N1B | C2B | 94.2° | 16.4° |
| N1B | C1R | O6R | C4R | 84.0° | 78.3° |
| C1R | N1B | C8B | C2B | 176.7° | 179.7° |
| C1R | N1B | C8B | C9B | 178.3° | 180.0° |
| C1R | N1B | C8B | C7B | 3.0° | 0.0° |
| C1R | N1B | C2B | N3B | 178.3° | 180.0° |
| C1R | N1B | C2B | H2B | 1.7° | 0.0° |
| H1R | C1R | O6R | C4R | 156.6° | 159.3° |
| H1R | C1R | N1B | C8B | 38.4° | 41.7° |
| H1R | C1R | N1B | C2B | 145.6° | 138.7° |
| O6R | C4R | C5R | H4R | 119.3° | 122.3° |
| O6R | C4R | C5R | O8R | 37.0° | 69.6° |
| O6R | C4R | C5R | H5R1 | 83.4° | 170.4° |
| O6R | C4R | C5R | H5R2 | 157.4° | 50.4° |
| C4R | C5R | O8R | H5R1 | 120.4° | 120.0° |
| C4R | C5R | O8R | H5R2 | 120.4° | 120.0° |
| C4R | C5R | H5R1 | H5R2 | 118.7° | 119.9° |
| C4R | C5R | O8R | HOR8 | 180.0° | 180.0° |
| H4R | C4R | C5R | O8R | 156.4° | 52.7° |
| H4R | C4R | C5R | H5R1 | 35.9° | 67.3° |
| H4R | C4R | C5R | H5R2 | 83.2° | 172.7° |
| O8R | C5R | H5R1 | H5R2 | 118.8° | 120.0° |
| H5R1 | C5R | O8R | HOR8 | 59.6° | 60.0° |
| H5R2 | C5R | O8R | HOR8 | 59.6° | 60.0° |
| N1B | C8B | C9B | C7B | 178.9° | 180.0° |
| C8B | N1B | C2B | N3B | 1.9° | 0.3° |
| C8B | N1B | C2B | H2B | 178.1° | 179.7° |
| N1B | C8B | C9B | N3B | 0.8° | 0.2° |
| N1B | C8B | C9B | C4B | 179.0° | 180.0° |
| N1B | C8B | C7B | C6B | 179.2° | 180.0° |
| N1B | C8B | C7B | H7B | 0.8° | 0.1° |
| C2B | N1B | C8B | C9B | 1.6° | 0.3° |
| C2B | N1B | C8B | C7B | 179.7° | 179.7° |
| N1B | C2B | N3B | H2B | 180.0° | 180.0° |
| N1B | C2B | N3B | C9B | 1.4° | 0.2° |
| C8B | C9B | N3B | C2B | 0.4° | 0.0° |
| C8B | C9B | N3B | C4B | 179.7° | 179.8° |
| C8B | C9B | C4B | C5B | 0.9° | 0.0° |
| C8B | C9B | C4B | H4B | 179.2° | 180.0° |
| C9B | C8B | C7B | C6B | 0.6° | 0.1° |
| C9B | C8B | C7B | H7B | 179.3° | 179.9° |
| C7B | C8B | C9B | N3B | 179.6° | 179.8° |
| C7B | C8B | C9B | C4B | 0.1° | 0.0° |
| C8B | C7B | C6B | C5B | 0.2° | 0.0° |
| C8B | C7B | C6B | H7B | 180.0° | 179.9° |
| C8B | C7B | C6B | H6B | 179.8° | 180.0° |
| C2B | N3B | C9B | C4B | 179.9° | 179.8° |
| H2B | C2B | N3B | C9B | 178.6° | 179.8° |
| N3B | C9B | C4B | C5B | 179.5° | 179.8° |
| N3B | C9B | C4B | H4B | 0.5° | 0.2° |
| C9B | C4B | C5B | H4B | 180.0° | 180.0° |
| C9B | C4B | C5B | C6B | 1.3° | 0.0° |
| C9B | C4B | C5B | O5M | 179.6° | 180.0° |
| C4B | C5B | C6B | O5M | 179.1° | 180.0° |
| C4B | C5B | C6B | C7B | 0.8° | 0.0° |
| C4B | C5B | C6B | H6B | 179.2° | 179.9° |
| C4B | C5B | O5M | C5O | 4.8° | 180.0° |
| H4B | C4B | C5B | C6B | 178.7° | 180.0° |
| H4B | C4B | C5B | O5M | 0.4° | 0.0° |
| C5B | C6B | C7B | H6B | 180.0° | 180.0° |
| C5B | C6B | C7B | H7B | 179.8° | 179.9° |
| C6B | C5B | O5M | C5O | 176.1° | 0.0° |
| O5M | C5B | C6B | C7B | 179.9° | 180.0° |
| O5M | C5B | C6B | H6B | 0.1° | 0.1° |
| C5B | O5M | C5O | HO51 | 180.0° | 179.9° |
| C5B | O5M | C5O | HO52 | 60.0° | 60.0° |
| C5B | O5M | C5O | HO53 | 60.0° | 59.9° |
| H6B | C6B | C7B | H7B | 0.2° | 0.1° |
| O5M | C5O | HO51 | HO52 | 120.0° | 120.0° |
| O5M | C5O | HO51 | HO53 | 120.0° | 120.0° |
| O5M | C5O | HO52 | HO53 | 120.0° | 120.0° |
| HO51 | C5O | HO52 | HO53 | 120.0° | 120.0° |
