VLR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.37Å | Aromatic |
| O07 | C04 | sing | 1.36Å | 1.39Å | |
| C08 | O07 | sing | 1.43Å | 1.39Å | |
| C02 | C01 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C01 | sing | 1.48Å | 1.58Å | |
| C10 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.46Å | Aromatic |
| C15 | C13 | sing | 1.48Å | 1.54Å | |
| C17 | C16 | sing | 1.41Å | 1.52Å | |
| N18 | C17 | doub | 1.30Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| S21 | C20 | sing | 1.76Å | 1.66Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.37Å | 1.40Å | Aromatic |
| C19 | N18 | sing | 1.34Å | 1.45Å | Aromatic |
| C26 | N18 | sing | 1.47Å | 1.46Å | |
| C27 | C26 | sing | 1.51Å | 1.57Å | |
| O28 | C27 | doub | 1.21Å | 1.19Å | |
| N29 | C27 | sing | 1.35Å | 1.47Å | |
| C30 | N29 | sing | 1.46Å | 1.46Å | |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| O32 | C31 | sing | 1.43Å | 1.45Å | |
| C33 | O32 | sing | 1.43Å | 1.44Å | |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| O35 | C34 | sing | 1.43Å | 1.41Å | |
| C36 | O35 | sing | 1.43Å | 1.39Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| O38 | C37 | sing | 1.43Å | 1.40Å | |
| C39 | O38 | sing | 1.43Å | 1.39Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| N41 | C40 | sing | 1.46Å | 1.44Å | |
| C42 | N41 | sing | 1.35Å | 1.47Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C45 | C44 | sing | 1.53Å | 1.50Å | |
| C46 | C45 | sing | 1.53Å | 1.59Å | |
| C47 | C46 | sing | 1.53Å | 1.57Å | |
| C48 | C47 | sing | 1.50Å | 1.29Å | |
| C49 | C48 | sing | 1.56Å | 1.88Å | |
| S51 | C50 | sing | 1.85Å | 1.75Å | |
| C50 | C49 | sing | 1.52Å | 1.27Å | |
| N52 | C49 | sing | 1.45Å | 1.18Å | |
| C53 | N52 | sing | 1.37Å | 1.75Å | |
| N54 | C53 | sing | 1.37Å | 1.77Å | |
| O55 | C53 | doub | 1.22Å | 1.20Å | |
| C43 | C42 | sing | 1.51Å | 1.52Å | |
| O56 | C42 | doub | 1.21Å | 1.20Å | |
| C16 | C15 | doub | 1.38Å | 1.33Å | |
| C57 | C15 | sing | 1.47Å | 1.47Å | |
| C58 | C57 | doub | 1.35Å | 1.50Å | |
| N59 | C58 | sing | 1.37Å | 1.47Å | |
| C60 | N59 | sing | 1.47Å | 1.50Å | |
| C01 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | N59 | sing | 1.38Å | 1.54Å | |
| C17 | S21 | sing | 1.76Å | 1.69Å | Aromatic |
| C19 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| C47 | S51 | sing | 1.84Å | 1.73Å | |
| C48 | N54 | sing | 1.43Å | 1.17Å | |
| H021 | C02 | sing | 1.08Å | 1.08Å | |
| H031 | C03 | sing | 1.08Å | 1.08Å | |
| H051 | C05 | sing | 1.08Å | 1.08Å | |
| H061 | C06 | sing | 1.08Å | 1.08Å | |
| H081 | C08 | sing | 1.09Å | 1.10Å | |
| H082 | C08 | sing | 1.09Å | 1.10Å | |
| H083 | C08 | sing | 1.09Å | 1.10Å | |
| H101 | C10 | sing | 1.08Å | 1.08Å | |
| H111 | C11 | sing | 1.08Å | 1.08Å | |
| H141 | C14 | sing | 1.08Å | 1.08Å | |
| H161 | C16 | sing | 1.08Å | 1.08Å | |
| H221 | C22 | sing | 1.08Å | 1.08Å | |
| H231 | C23 | sing | 1.08Å | 1.08Å | |
| H241 | C24 | sing | 1.08Å | 1.08Å | |
| H251 | C25 | sing | 1.08Å | 1.08Å | |
| H261 | C26 | sing | 1.09Å | 1.10Å | |
| H262 | C26 | sing | 1.09Å | 1.10Å | |
| H291 | N29 | sing | 0.97Å | 1.00Å | |
| H301 | C30 | sing | 1.09Å | 1.10Å | |
| H302 | C30 | sing | 1.09Å | 1.10Å | |
| H311 | C31 | sing | 1.09Å | 1.10Å | |
| H312 | C31 | sing | 1.09Å | 1.10Å | |
| H331 | C33 | sing | 1.09Å | 1.10Å | |
| H332 | C33 | sing | 1.09Å | 1.10Å | |
| H341 | C34 | sing | 1.09Å | 1.10Å | |
| H342 | C34 | sing | 1.09Å | 1.10Å | |
| H361 | C36 | sing | 1.09Å | 1.10Å | |
| H362 | C36 | sing | 1.09Å | 1.10Å | |
| H371 | C37 | sing | 1.09Å | 1.10Å | |
| H372 | C37 | sing | 1.09Å | 1.10Å | |
| H391 | C39 | sing | 1.09Å | 1.10Å | |
| H392 | C39 | sing | 1.09Å | 1.10Å | |
| H401 | C40 | sing | 1.09Å | 1.10Å | |
| H402 | C40 | sing | 1.09Å | 1.10Å | |
| H411 | N41 | sing | 0.97Å | 1.00Å | |
| H431 | C43 | sing | 1.09Å | 1.10Å | |
| H432 | C43 | sing | 1.09Å | 1.10Å | |
| H441 | C44 | sing | 1.09Å | 1.10Å | |
| H442 | C44 | sing | 1.09Å | 1.10Å | |
| H451 | C45 | sing | 1.09Å | 1.10Å | |
| H452 | C45 | sing | 1.09Å | 1.10Å | |
| H461 | C46 | sing | 1.09Å | 1.10Å | |
| H462 | C46 | sing | 1.09Å | 1.10Å | |
| H471 | C47 | sing | 1.09Å | 1.10Å | |
| H481 | C48 | sing | 1.09Å | 1.10Å | |
| H491 | C49 | sing | 1.09Å | 1.10Å | |
| H501 | C50 | sing | 1.09Å | 1.10Å | |
| H502 | C50 | sing | 1.09Å | 1.10Å | |
| H521 | N52 | sing | 0.97Å | 1.00Å | |
| H541 | N54 | sing | 0.97Å | 1.00Å | |
| H571 | C57 | sing | 1.08Å | 1.08Å | |
| H581 | C58 | sing | 1.08Å | 1.08Å | |
| H601 | C60 | sing | 1.09Å | 1.10Å | |
| H602 | C60 | sing | 1.09Å | 1.10Å | |
| H603 | C60 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 120.1° | 120.0° |
| C03 | C02 | C01 | 120.0° | 119.9° |
| C03 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | C05 | 119.8° | 120.1° |
| C03 | C04 | O07 | 119.7° | 119.9° |
| C04 | C03 | H031 | 120.0° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.1° |
| C05 | C06 | C01 | 120.0° | 119.9° |
| C06 | C05 | H051 | 119.9° | 120.0° |
| C05 | C06 | H061 | 120.0° | 120.0° |
| C05 | C04 | O07 | 119.6° | 120.0° |
| C04 | C05 | H051 | 119.9° | 119.9° |
| C04 | O07 | C08 | 114.0° | 117.0° |
| O07 | C08 | H081 | 109.5° | 109.5° |
| O07 | C08 | H082 | 109.4° | 109.5° |
| O07 | C08 | H083 | 109.4° | 109.5° |
| C02 | C01 | C09 | 119.9° | 120.0° |
| C02 | C01 | C06 | 120.0° | 119.9° |
| C01 | C02 | H021 | 120.0° | 120.1° |
| C01 | C09 | C10 | 119.9° | 120.0° |
| C09 | C01 | C06 | 119.9° | 120.1° |
| C01 | C09 | C14 | 120.0° | 120.0° |
| C09 | C10 | C11 | 119.9° | 120.6° |
| C10 | C09 | C14 | 120.1° | 120.0° |
| C09 | C10 | H101 | 120.0° | 119.7° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C11 | C10 | H101 | 120.0° | 119.7° |
| C10 | C11 | H111 | 119.9° | 120.0° |
| C11 | C12 | C13 | 119.9° | 119.5° |
| C11 | C12 | N59 | 120.0° | 121.0° |
| C12 | C11 | H111 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.4° |
| C12 | C13 | C15 | 120.0° | 118.1° |
| C13 | C12 | N59 | 120.0° | 119.5° |
| C14 | C13 | C15 | 119.8° | 121.5° |
| C13 | C14 | C09 | 120.0° | 119.4° |
| C13 | C14 | H141 | 120.0° | 120.3° |
| C13 | C15 | C16 | 120.1° | 121.5° |
| C13 | C15 | C57 | 119.9° | 117.0° |
| C16 | C17 | N18 | 125.3° | 124.8° |
| C17 | C16 | C15 | 120.0° | 120.0° |
| C16 | C17 | S21 | 125.2° | 124.9° |
| C17 | C16 | H161 | 120.0° | 120.0° |
| C17 | N18 | C19 | 109.5° | 117.7° |
| C17 | N18 | C26 | 125.3° | 121.2° |
| N18 | C17 | S21 | 109.4° | 110.3° |
| C19 | C20 | S21 | 106.2° | 108.5° |
| C19 | C20 | C22 | 120.0° | 120.3° |
| C20 | C19 | N18 | 116.4° | 113.0° |
| C20 | C19 | C25 | 120.0° | 118.4° |
| S21 | C20 | C22 | 132.5° | 131.1° |
| C20 | S21 | C17 | 98.5° | 90.5° |
| C20 | C22 | C23 | 120.0° | 120.2° |
| C20 | C22 | H221 | 120.0° | 119.8° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C23 | C22 | H221 | 120.0° | 119.9° |
| C22 | C23 | H231 | 120.0° | 119.9° |
| C23 | C24 | C25 | 120.0° | 120.6° |
| C24 | C23 | H231 | 120.0° | 120.0° |
| C23 | C24 | H241 | 120.0° | 119.7° |
| C24 | C25 | C19 | 120.0° | 120.4° |
| C25 | C24 | H241 | 120.0° | 119.7° |
| C24 | C25 | H251 | 120.0° | 119.8° |
| C19 | N18 | C26 | 125.1° | 121.2° |
| N18 | C19 | C25 | 122.5° | 128.6° |
| N18 | C26 | C27 | 110.4° | 109.5° |
| N18 | C26 | H261 | 109.2° | 109.5° |
| N18 | C26 | H262 | 109.3° | 109.5° |
| C26 | C27 | O28 | 119.8° | 120.0° |
| C26 | C27 | N29 | 119.7° | 120.0° |
| C27 | C26 | H261 | 109.2° | 109.5° |
| C27 | C26 | H262 | 109.2° | 109.4° |
| O28 | C27 | N29 | 119.9° | 120.0° |
| C27 | N29 | C30 | 120.0° | 120.0° |
| C27 | N29 | H291 | 120.0° | 120.0° |
| N29 | C30 | C31 | 110.3° | 109.5° |
| C30 | N29 | H291 | 120.0° | 120.0° |
| N29 | C30 | H301 | 109.2° | 109.5° |
| N29 | C30 | H302 | 109.3° | 109.5° |
| C30 | C31 | O32 | 108.3° | 109.4° |
| C31 | C30 | H301 | 109.3° | 109.4° |
| C31 | C30 | H302 | 109.3° | 109.4° |
| C30 | C31 | H311 | 109.7° | 109.5° |
| C30 | C31 | H312 | 109.7° | 109.4° |
| C31 | O32 | C33 | 114.2° | 114.0° |
| O32 | C31 | H311 | 109.8° | 109.5° |
| O32 | C31 | H312 | 109.8° | 109.5° |
| O32 | C33 | C34 | 108.3° | 109.5° |
| O32 | C33 | H331 | 109.8° | 109.5° |
| O32 | C33 | H332 | 109.8° | 109.5° |
| C33 | C34 | O35 | 108.5° | 109.5° |
| C34 | C33 | H331 | 109.8° | 109.4° |
| C34 | C33 | H332 | 109.8° | 109.5° |
| C33 | C34 | H341 | 109.7° | 109.5° |
| C33 | C34 | H342 | 109.7° | 109.5° |
| C34 | O35 | C36 | 113.9° | 114.0° |
| O35 | C34 | H341 | 109.7° | 109.5° |
| O35 | C34 | H342 | 109.7° | 109.4° |
| O35 | C36 | C37 | 108.3° | 109.4° |
| O35 | C36 | H361 | 109.8° | 109.5° |
| O35 | C36 | H362 | 109.8° | 109.6° |
| C36 | C37 | O38 | 108.5° | 109.5° |
| C37 | C36 | H361 | 109.8° | 109.4° |
| C37 | C36 | H362 | 109.8° | 109.5° |
| C36 | C37 | H371 | 109.7° | 109.4° |
| C36 | C37 | H372 | 109.7° | 109.5° |
| C37 | O38 | C39 | 113.8° | 114.0° |
| O38 | C37 | H371 | 109.7° | 109.4° |
| O38 | C37 | H372 | 109.7° | 109.5° |
| O38 | C39 | C40 | 108.2° | 109.4° |
| O38 | C39 | H391 | 109.8° | 109.4° |
| O38 | C39 | H392 | 109.8° | 109.5° |
| C39 | C40 | N41 | 110.2° | 109.5° |
| C40 | C39 | H391 | 109.8° | 109.5° |
| C40 | C39 | H392 | 109.8° | 109.5° |
| C39 | C40 | H401 | 109.3° | 109.4° |
| C39 | C40 | H402 | 109.3° | 109.4° |
| C40 | N41 | C42 | 120.0° | 120.0° |
| N41 | C40 | H401 | 109.3° | 109.5° |
| N41 | C40 | H402 | 109.3° | 109.5° |
| C40 | N41 | H411 | 120.0° | 120.0° |
| N41 | C42 | C43 | 119.9° | 120.1° |
| N41 | C42 | O56 | 119.8° | 120.0° |
| C42 | N41 | H411 | 120.0° | 120.0° |
| C43 | C44 | C45 | 112.4° | 109.5° |
| C44 | C43 | C42 | 112.2° | 109.5° |
| C44 | C43 | H431 | 108.8° | 109.4° |
| C44 | C43 | H432 | 108.8° | 109.5° |
| C43 | C44 | H441 | 108.7° | 109.4° |
| C43 | C44 | H442 | 108.7° | 109.4° |
| C44 | C45 | C46 | 112.2° | 109.4° |
| C45 | C44 | H441 | 108.7° | 109.5° |
| C45 | C44 | H442 | 108.7° | 109.5° |
| C44 | C45 | H451 | 108.8° | 109.5° |
| C44 | C45 | H452 | 108.8° | 109.5° |
| C45 | C46 | C47 | 112.3° | 109.5° |
| C46 | C45 | H451 | 108.8° | 109.4° |
| C46 | C45 | H452 | 108.8° | 109.5° |
| C45 | C46 | H461 | 108.8° | 109.5° |
| C45 | C46 | H462 | 108.7° | 109.5° |
| C46 | C47 | C48 | 107.2° | 110.8° |
| C46 | C47 | S51 | 107.1° | 110.8° |
| C47 | C46 | H461 | 108.8° | 109.4° |
| C47 | C46 | H462 | 108.8° | 109.5° |
| C46 | C47 | H471 | 112.0° | 110.7° |
| C47 | C48 | C49 | 102.6° | 107.5° |
| C48 | C47 | S51 | 102.8° | 102.6° |
| C47 | C48 | N54 | 98.0° | 127.3° |
| C48 | C47 | H471 | 117.1° | 110.9° |
| C47 | C48 | H481 | 117.9° | 107.3° |
| C48 | C49 | C50 | 103.0° | 104.1° |
| C48 | C49 | N52 | 106.9° | 99.1° |
| C49 | C48 | N54 | 106.6° | 100.6° |
| C49 | C48 | H481 | 108.8° | 105.0° |
| C48 | C49 | H491 | 98.7° | 110.0° |
| S51 | C50 | C49 | 103.0° | 100.3° |
| C50 | S51 | C47 | 102.6° | 97.0° |
| S51 | C50 | H501 | 111.1° | 111.3° |
| S51 | C50 | H502 | 111.1° | 111.2° |
| C50 | C49 | N52 | 135.8° | 122.6° |
| C50 | C49 | H491 | 102.9° | 110.1° |
| C49 | C50 | H501 | 111.1° | 111.3° |
| C49 | C50 | H502 | 111.0° | 111.2° |
| C49 | N52 | C53 | 101.4° | 105.4° |
| N52 | C49 | H491 | 103.8° | 109.7° |
| C49 | N52 | H521 | 129.3° | 127.3° |
| N52 | C53 | N54 | 102.8° | 112.7° |
| N52 | C53 | O55 | 126.1° | 123.7° |
| C53 | N52 | H521 | 129.3° | 127.3° |
| N54 | C53 | O55 | 126.2° | 123.7° |
| C53 | N54 | C48 | 101.4° | 105.0° |
| C53 | N54 | H541 | 129.3° | 127.6° |
| C43 | C42 | O56 | 119.8° | 120.0° |
| C42 | C43 | H431 | 108.8° | 109.5° |
| C42 | C43 | H432 | 108.8° | 109.5° |
| C16 | C15 | C57 | 120.0° | 121.5° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| C15 | C57 | C58 | 119.9° | 119.0° |
| C15 | C57 | H571 | 120.1° | 120.6° |
| C57 | C58 | N59 | 119.8° | 122.0° |
| C58 | C57 | H571 | 120.1° | 120.5° |
| C57 | C58 | H581 | 120.1° | 119.0° |
| C58 | N59 | C60 | 119.9° | 119.1° |
| C58 | N59 | C12 | 119.9° | 121.8° |
| N59 | C58 | H581 | 120.1° | 119.0° |
| C60 | N59 | C12 | 120.0° | 119.1° |
| N59 | C60 | H601 | 109.5° | 109.5° |
| N59 | C60 | H602 | 109.4° | 109.5° |
| N59 | C60 | H603 | 109.5° | 109.5° |
| C01 | C06 | H061 | 120.0° | 120.0° |
| C09 | C14 | H141 | 120.0° | 120.3° |
| C19 | C25 | H251 | 120.0° | 119.8° |
| S51 | C47 | H471 | 109.9° | 110.8° |
| N54 | C48 | H481 | 121.0° | 107.1° |
| C48 | N54 | H541 | 129.3° | 127.4° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.4° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.4° | 111.1° |
| H601 | C60 | H602 | 109.4° | 109.4° |
| H601 | C60 | H603 | 109.5° | 109.4° |
| H602 | C60 | H603 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | O07 | 169.0° | 179.9° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | C09 | 174.4° | 179.7° |
| C03 | C02 | C01 | C06 | 0.0° | 0.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C03 | C04 | C05 | O07 | 169.0° | 179.9° |
| C03 | C04 | O07 | C08 | 89.1° | 180.0° |
| C04 | C03 | C02 | C01 | 0.0° | 0.0° |
| C04 | C03 | C02 | H021 | 180.0° | 179.9° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | O07 | 169.0° | 180.0° |
| C05 | C06 | C01 | C02 | 0.0° | 0.1° |
| C05 | C06 | C01 | C09 | 174.4° | 179.8° |
| C05 | C06 | C01 | H061 | 180.0° | 179.9° |
| C05 | C04 | O07 | C08 | 101.8° | 0.1° |
| C04 | C05 | C06 | C01 | 0.0° | 0.1° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| O07 | C04 | C03 | H031 | 11.1° | 0.0° |
| O07 | C04 | C05 | H051 | 11.0° | 0.1° |
| C04 | O07 | C08 | H081 | 180.0° | 60.0° |
| C04 | O07 | C08 | H082 | 60.0° | 60.0° |
| C04 | O07 | C08 | H083 | 60.0° | 180.0° |
| O07 | C08 | H081 | H082 | 120.0° | 120.0° |
| O07 | C08 | H081 | H083 | 120.0° | 120.0° |
| O07 | C08 | H082 | H083 | 119.9° | 120.0° |
| C02 | C01 | C09 | C06 | 174.4° | 179.7° |
| C02 | C01 | C09 | C10 | 116.6° | 179.4° |
| C02 | C01 | C09 | C14 | 67.0° | 0.3° |
| C01 | C02 | C03 | H031 | 180.0° | 180.0° |
| C02 | C01 | C06 | H061 | 180.0° | 180.0° |
| C01 | C09 | C10 | C14 | 176.4° | 179.7° |
| C01 | C09 | C10 | C11 | 176.5° | 179.9° |
| C01 | C09 | C14 | C13 | 176.5° | 179.8° |
| C09 | C01 | C02 | H021 | 5.6° | 0.3° |
| C09 | C01 | C06 | H061 | 5.6° | 0.3° |
| C01 | C09 | C10 | H101 | 3.5° | 0.1° |
| C01 | C09 | C14 | H141 | 3.6° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C09 | C14 | C13 | 0.0° | 0.5° |
| C10 | C09 | C01 | C06 | 57.9° | 0.3° |
| C09 | C10 | C11 | H111 | 180.0° | 179.9° |
| C10 | C09 | C14 | H141 | 180.0° | 179.7° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C10 | C09 | C14 | 0.1° | 0.4° |
| C10 | C11 | C12 | N59 | 175.6° | 179.8° |
| C11 | C12 | C13 | N59 | 175.7° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | C15 | 174.1° | 179.6° |
| C11 | C12 | N59 | C58 | 168.5° | 165.7° |
| C11 | C12 | N59 | C60 | 16.2° | 14.3° |
| C12 | C11 | C10 | H101 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 174.0° | 179.5° |
| C12 | C13 | C15 | C16 | 173.9° | 167.7° |
| C12 | C13 | C15 | C57 | 4.3° | 12.4° |
| C13 | C12 | N59 | C58 | 7.1° | 14.4° |
| C13 | C12 | N59 | C60 | 168.1° | 165.6° |
| C12 | C13 | C14 | C09 | 0.0° | 0.3° |
| C13 | C12 | C11 | H111 | 179.9° | 179.9° |
| C12 | C13 | C14 | H141 | 179.9° | 179.9° |
| C14 | C13 | C15 | C16 | 12.0° | 12.8° |
| C14 | C13 | C15 | C57 | 169.7° | 167.2° |
| C13 | C14 | C09 | H141 | 180.0° | 179.7° |
| C14 | C13 | C12 | N59 | 175.6° | 179.9° |
| C13 | C15 | C16 | C17 | 145.6° | 172.0° |
| C13 | C15 | C16 | C57 | 178.2° | 179.9° |
| C13 | C15 | C57 | C58 | 4.7° | 12.6° |
| C15 | C13 | C14 | C09 | 174.1° | 179.8° |
| C15 | C13 | C12 | N59 | 1.6° | 0.6° |
| C15 | C13 | C14 | H141 | 5.9° | 0.4° |
| C13 | C15 | C16 | H161 | 34.4° | 7.9° |
| C13 | C15 | C57 | H571 | 175.3° | 167.3° |
| C16 | C17 | N18 | S21 | 175.8° | 179.7° |
| C16 | C17 | S21 | C20 | 175.7° | 179.9° |
| C16 | C17 | N18 | C19 | 175.7° | 180.0° |
| C16 | C17 | N18 | C26 | 4.7° | 0.1° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C17 | C16 | C15 | C57 | 32.6° | 7.9° |
| C17 | N18 | C19 | C20 | 0.0° | 0.1° |
| N18 | C17 | S21 | C20 | 0.1° | 0.4° |
| C17 | N18 | C19 | C26 | 179.6° | 179.9° |
| C17 | N18 | C26 | C27 | 85.4° | 90.1° |
| N18 | C17 | C16 | C15 | 127.0° | 147.1° |
| C17 | N18 | C19 | C25 | 168.0° | 180.0° |
| N18 | C17 | C16 | H161 | 52.9° | 32.9° |
| C17 | N18 | C26 | H261 | 154.5° | 149.9° |
| C17 | N18 | C26 | H262 | 34.8° | 29.9° |
| C19 | C20 | S21 | C22 | 166.3° | 179.7° |
| C19 | C20 | C22 | C23 | 0.0° | 0.0° |
| C20 | C19 | C25 | C24 | 0.0° | 0.0° |
| C20 | C19 | N18 | C25 | 167.9° | 179.9° |
| C20 | C19 | N18 | C26 | 179.6° | 180.0° |
| C19 | C20 | S21 | C17 | 0.1° | 0.3° |
| C19 | C20 | C22 | H221 | 180.0° | 180.0° |
| C20 | C19 | C25 | H251 | 180.0° | 180.0° |
| S21 | C20 | C22 | C23 | 164.7° | 179.6° |
| S21 | C20 | C19 | N18 | 0.1° | 0.2° |
| S21 | C20 | C19 | C25 | 168.3° | 179.7° |
| S21 | C20 | C22 | H221 | 15.3° | 0.4° |
| C20 | C22 | C23 | H221 | 180.0° | 180.0° |
| C20 | C22 | C23 | C24 | 0.0° | 0.0° |
| C22 | C20 | C19 | N18 | 168.3° | 180.0° |
| C22 | C20 | S21 | C17 | 166.2° | 180.0° |
| C22 | C20 | C19 | C25 | 0.0° | 0.0° |
| C20 | C22 | C23 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C19 | 0.0° | 0.0° |
| C24 | C23 | C22 | H221 | 180.0° | 180.0° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| C24 | C25 | C19 | N18 | 167.5° | 179.9° |
| C24 | C25 | C19 | H251 | 180.0° | 180.0° |
| C25 | C24 | C23 | H231 | 180.0° | 180.0° |
| C19 | N18 | C26 | C27 | 94.2° | 90.1° |
| C19 | N18 | C17 | S21 | 0.0° | 0.3° |
| N18 | C19 | C25 | H251 | 12.5° | 0.1° |
| C19 | N18 | C26 | H261 | 25.9° | 30.0° |
| C19 | N18 | C26 | H262 | 145.7° | 150.0° |
| N18 | C26 | C27 | H261 | 120.1° | 120.0° |
| N18 | C26 | C27 | H262 | 120.2° | 120.0° |
| N18 | C26 | C27 | O28 | 57.0° | 0.0° |
| N18 | C26 | C27 | N29 | 131.6° | 180.0° |
| C26 | N18 | C17 | S21 | 179.6° | 179.8° |
| C26 | N18 | C19 | C25 | 12.4° | 0.1° |
| N18 | C26 | H261 | H262 | 119.6° | 120.0° |
| C26 | C27 | O28 | N29 | 171.4° | 180.0° |
| C26 | C27 | N29 | C30 | 145.8° | 180.0° |
| C27 | C26 | H261 | H262 | 119.5° | 120.0° |
| C26 | C27 | N29 | H291 | 34.2° | 0.0° |
| O28 | C27 | N29 | C30 | 25.7° | 0.0° |
| O28 | C27 | C26 | H261 | 63.2° | 120.0° |
| O28 | C27 | C26 | H262 | 177.1° | 120.0° |
| O28 | C27 | N29 | H291 | 154.3° | 180.0° |
| C27 | N29 | C30 | H291 | 180.0° | 180.0° |
| C27 | N29 | C30 | C31 | 177.8° | 180.0° |
| N29 | C27 | C26 | H261 | 108.3° | 60.0° |
| N29 | C27 | C26 | H262 | 11.4° | 60.0° |
| C27 | N29 | C30 | H301 | 57.6° | 60.0° |
| C27 | N29 | C30 | H302 | 62.1° | 60.0° |
| N29 | C30 | C31 | H301 | 120.1° | 120.0° |
| N29 | C30 | C31 | H302 | 120.1° | 120.0° |
| N29 | C30 | C31 | O32 | 76.9° | 65.0° |
| N29 | C30 | H301 | H302 | 119.6° | 120.1° |
| N29 | C30 | C31 | H311 | 43.0° | 175.0° |
| N29 | C30 | C31 | H312 | 163.3° | 55.0° |
| C30 | C31 | O32 | H311 | 119.8° | 120.0° |
| C30 | C31 | O32 | H312 | 119.8° | 120.0° |
| C30 | C31 | O32 | C33 | 124.4° | 180.0° |
| C31 | C30 | N29 | H291 | 2.2° | 0.0° |
| C31 | C30 | H301 | H302 | 119.6° | 119.9° |
| C30 | C31 | H311 | H312 | 120.5° | 120.0° |
| C31 | O32 | C33 | C34 | 157.0° | 180.0° |
| O32 | C31 | C30 | H301 | 163.0° | 55.0° |
| O32 | C31 | C30 | H302 | 43.3° | 175.0° |
| O32 | C31 | H311 | H312 | 120.6° | 120.0° |
| C31 | O32 | C33 | H331 | 83.1° | 60.0° |
| C31 | O32 | C33 | H332 | 37.2° | 60.0° |
| O32 | C33 | C34 | H331 | 119.8° | 120.0° |
| O32 | C33 | C34 | H332 | 119.8° | 120.1° |
| O32 | C33 | C34 | O35 | 166.1° | 65.0° |
| C33 | O32 | C31 | H311 | 4.5° | 60.0° |
| C33 | O32 | C31 | H312 | 115.8° | 60.0° |
| O32 | C33 | H331 | H332 | 120.5° | 120.0° |
| O32 | C33 | C34 | H341 | 74.0° | 175.0° |
| O32 | C33 | C34 | H342 | 46.3° | 55.0° |
| C33 | C34 | O35 | H341 | 119.8° | 120.1° |
| C33 | C34 | O35 | H342 | 119.8° | 120.0° |
| C33 | C34 | O35 | C36 | 99.4° | 179.9° |
| C34 | C33 | H331 | H332 | 120.5° | 119.9° |
| C33 | C34 | H341 | H342 | 120.4° | 120.0° |
| C34 | O35 | C36 | C37 | 153.3° | 180.0° |
| O35 | C34 | C33 | H331 | 46.3° | 55.1° |
| O35 | C34 | C33 | H332 | 74.1° | 175.0° |
| O35 | C34 | H341 | H342 | 120.5° | 119.9° |
| C34 | O35 | C36 | H361 | 86.9° | 60.0° |
| C34 | O35 | C36 | H362 | 33.5° | 60.0° |
| O35 | C36 | C37 | H361 | 119.8° | 120.0° |
| O35 | C36 | C37 | H362 | 119.8° | 120.1° |
| O35 | C36 | C37 | O38 | 154.1° | 65.0° |
| C36 | O35 | C34 | H341 | 140.8° | 60.0° |
| C36 | O35 | C34 | H342 | 20.5° | 60.0° |
| O35 | C36 | H361 | H362 | 120.5° | 120.1° |
| O35 | C36 | C37 | H371 | 86.0° | 175.0° |
| O35 | C36 | C37 | H372 | 34.3° | 55.1° |
| C36 | C37 | O38 | H371 | 119.8° | 120.0° |
| C36 | C37 | O38 | H372 | 119.8° | 120.0° |
| C36 | C37 | O38 | C39 | 179.6° | 180.0° |
| C37 | C36 | H361 | H362 | 120.6° | 120.0° |
| C36 | C37 | H371 | H372 | 120.4° | 120.0° |
| C37 | O38 | C39 | C40 | 177.2° | 180.0° |
| O38 | C37 | C36 | H361 | 34.3° | 54.9° |
| O38 | C37 | C36 | H362 | 86.1° | 174.9° |
| O38 | C37 | H371 | H372 | 120.5° | 120.1° |
| C37 | O38 | C39 | H391 | 57.4° | 60.1° |
| C37 | O38 | C39 | H392 | 63.0° | 60.0° |
| O38 | C39 | C40 | H391 | 119.8° | 119.9° |
| O38 | C39 | C40 | H392 | 119.8° | 120.0° |
| O38 | C39 | C40 | N41 | 83.6° | 65.0° |
| C39 | O38 | C37 | H371 | 60.6° | 60.1° |
| C39 | O38 | C37 | H372 | 59.7° | 59.9° |
| O38 | C39 | H391 | H392 | 120.6° | 120.0° |
| O38 | C39 | C40 | H401 | 36.5° | 175.0° |
| O38 | C39 | C40 | H402 | 156.3° | 55.0° |
| C39 | C40 | N41 | H401 | 120.1° | 120.0° |
| C39 | C40 | N41 | H402 | 120.1° | 120.0° |
| C39 | C40 | N41 | C42 | 124.0° | 180.0° |
| C40 | C39 | H391 | H392 | 120.6° | 120.0° |
| C39 | C40 | H401 | H402 | 119.7° | 119.9° |
| C39 | C40 | N41 | H411 | 56.0° | 0.0° |
| C40 | N41 | C42 | H411 | 180.0° | 179.9° |
| C40 | N41 | C42 | C43 | 70.6° | 180.0° |
| C40 | N41 | C42 | O56 | 117.0° | 0.0° |
| N41 | C40 | C39 | H391 | 156.6° | 55.0° |
| N41 | C40 | C39 | H392 | 36.2° | 175.0° |
| N41 | C40 | H401 | H402 | 119.7° | 120.1° |
| N41 | C42 | C43 | C44 | 136.0° | 180.0° |
| N41 | C42 | C43 | O56 | 172.4° | 180.0° |
| C42 | N41 | C40 | H401 | 3.9° | 60.0° |
| C42 | N41 | C40 | H402 | 115.9° | 60.1° |
| N41 | C42 | C43 | H431 | 15.6° | 60.0° |
| N41 | C42 | C43 | H432 | 103.7° | 60.0° |
| C43 | C44 | C45 | H441 | 120.4° | 119.9° |
| C43 | C44 | C45 | H442 | 120.4° | 120.0° |
| C43 | C44 | C45 | C46 | 146.1° | 180.0° |
| C44 | C43 | C42 | H431 | 120.4° | 120.0° |
| C44 | C43 | C42 | H432 | 120.4° | 120.0° |
| C44 | C43 | C42 | O56 | 51.6° | 0.0° |
| C44 | C43 | H431 | H432 | 118.7° | 119.9° |
| C43 | C44 | H441 | H442 | 118.6° | 119.9° |
| C43 | C44 | C45 | H451 | 93.5° | 60.0° |
| C43 | C44 | C45 | H452 | 25.7° | 60.0° |
| C44 | C45 | C46 | H451 | 120.4° | 120.0° |
| C44 | C45 | C46 | H452 | 120.4° | 120.0° |
| C44 | C45 | C46 | C47 | 112.1° | 180.0° |
| C45 | C44 | C43 | C42 | 116.3° | 180.0° |
| C45 | C44 | C43 | H431 | 4.1° | 60.0° |
| C45 | C44 | C43 | H432 | 123.3° | 60.0° |
| C45 | C44 | H441 | H442 | 118.7° | 120.1° |
| C44 | C45 | H451 | H452 | 118.7° | 120.0° |
| C44 | C45 | C46 | H461 | 8.3° | 60.1° |
| C44 | C45 | C46 | H462 | 127.5° | 60.0° |
| C45 | C46 | C47 | H461 | 120.4° | 120.0° |
| C45 | C46 | C47 | H462 | 120.4° | 120.1° |
| C45 | C46 | C47 | C48 | 169.1° | 179.6° |
| C45 | C46 | C47 | S51 | 59.3° | 66.4° |
| C46 | C45 | C44 | H441 | 25.7° | 60.1° |
| C46 | C45 | C44 | H442 | 93.5° | 60.0° |
| C46 | C45 | H451 | H452 | 118.7° | 120.0° |
| C45 | C46 | H461 | H462 | 118.7° | 120.1° |
| C45 | C46 | C47 | H471 | 61.1° | 56.9° |
| C46 | C47 | C48 | S51 | 112.7° | 118.3° |
| C46 | C47 | C48 | H471 | 126.8° | 123.3° |
| C46 | C47 | C48 | C49 | 150.1° | 154.3° |
| C46 | C47 | S51 | C50 | 131.9° | 124.9° |
| C46 | C47 | S51 | H471 | 121.8° | 123.3° |
| C46 | C47 | C48 | N54 | 100.8° | 86.8° |
| C47 | C46 | C45 | H451 | 127.5° | 60.0° |
| C47 | C46 | C45 | H452 | 8.3° | 60.0° |
| C47 | C46 | H461 | H462 | 118.8° | 120.0° |
| C46 | C47 | C48 | H481 | 30.7° | 41.7° |
| C47 | C48 | C49 | N54 | 102.4° | 134.9° |
| C47 | C48 | C49 | H481 | 125.6° | 114.0° |
| C48 | C47 | S51 | C50 | 19.1° | 6.6° |
| C47 | C48 | C49 | C50 | 56.6° | 57.7° |
| C47 | C48 | C49 | N52 | 156.3° | 175.2° |
| C47 | C48 | N54 | C53 | 139.5° | 154.9° |
| C48 | C47 | S51 | H471 | 125.4° | 118.4° |
| C47 | C48 | N54 | H481 | 129.4° | 128.6° |
| C48 | C47 | C46 | H461 | 48.6° | 59.6° |
| C48 | C47 | C46 | H462 | 70.5° | 60.4° |
| C47 | C48 | C49 | H491 | 48.9° | 60.2° |
| C47 | C48 | N54 | H541 | 40.5° | 25.1° |
| C48 | C49 | C50 | S51 | 37.8° | 47.4° |
| C48 | C49 | C50 | N52 | 131.8° | 110.7° |
| C48 | C49 | C50 | H491 | 102.2° | 117.9° |
| C48 | C49 | N52 | H491 | 103.7° | 115.2° |
| C48 | C49 | N52 | C53 | 33.4° | 33.1° |
| C49 | C48 | N54 | C53 | 33.7° | 33.1° |
| C49 | C48 | C47 | S51 | 37.5° | 35.9° |
| C49 | C48 | N54 | H481 | 124.8° | 109.5° |
| C49 | C48 | C47 | H471 | 83.1° | 82.4° |
| C48 | C49 | C50 | H501 | 156.8° | 70.4° |
| C48 | C49 | C50 | H502 | 81.2° | 165.2° |
| C48 | C49 | N52 | H521 | 146.6° | 146.9° |
| C49 | C48 | N54 | H541 | 146.3° | 147.0° |
| S51 | C50 | C49 | H501 | 119.0° | 117.8° |
| S51 | C50 | C49 | H502 | 119.0° | 117.7° |
| S51 | C50 | C49 | N52 | 169.6° | 158.2° |
| C50 | S51 | C47 | H471 | 106.3° | 111.9° |
| S51 | C50 | C49 | H491 | 64.4° | 70.4° |
| S51 | C50 | H501 | H502 | 123.0° | 124.5° |
| C50 | C49 | N52 | H491 | 125.7° | 131.5° |
| C50 | C49 | N52 | C53 | 164.0° | 146.3° |
| C49 | C50 | S51 | C47 | 19.1° | 24.4° |
| C50 | C49 | C48 | N54 | 159.0° | 167.4° |
| C50 | C49 | C48 | H481 | 69.0° | 56.3° |
| C49 | C50 | H501 | H502 | 123.0° | 124.5° |
| C50 | C49 | N52 | H521 | 16.0° | 33.7° |
| C49 | N52 | C53 | H521 | 180.0° | 180.0° |
| C49 | N52 | C53 | N54 | 17.2° | 14.4° |
| C49 | N52 | C53 | O55 | 173.5° | 165.6° |
| N52 | C49 | C48 | N54 | 53.9° | 40.3° |
| N52 | C49 | C48 | H481 | 78.1° | 70.8° |
| N52 | C49 | C50 | H501 | 71.4° | 40.4° |
| N52 | C49 | C50 | H502 | 50.6° | 84.1° |
| N52 | C53 | N54 | O55 | 156.2° | 180.0° |
| N52 | C53 | N54 | C48 | 17.9° | 13.6° |
| C53 | N52 | C49 | H491 | 70.4° | 82.1° |
| N52 | C53 | N54 | H541 | 162.1° | 166.4° |
| C53 | N54 | C48 | H541 | 180.0° | 180.0° |
| C53 | N54 | C48 | H481 | 91.0° | 76.5° |
| N54 | C53 | N52 | H521 | 162.8° | 165.6° |
| O55 | C53 | N54 | C48 | 138.3° | 166.5° |
| O55 | C53 | N52 | H521 | 6.6° | 14.4° |
| O55 | C53 | N54 | H541 | 41.7° | 13.5° |
| C43 | C42 | N41 | H411 | 109.4° | 0.1° |
| C42 | C43 | H431 | H432 | 118.8° | 120.0° |
| C42 | C43 | C44 | H441 | 4.2° | 60.0° |
| C42 | C43 | C44 | H442 | 123.3° | 60.0° |
| O56 | C42 | N41 | H411 | 63.0° | 180.0° |
| O56 | C42 | C43 | H431 | 172.0° | 120.0° |
| O56 | C42 | C43 | H432 | 68.7° | 120.0° |
| C16 | C15 | C57 | C58 | 173.5° | 167.4° |
| C15 | C16 | C17 | S21 | 48.0° | 32.5° |
| C16 | C15 | C57 | H571 | 6.5° | 12.6° |
| C15 | C57 | C58 | H571 | 180.0° | 180.0° |
| C15 | C57 | C58 | N59 | 0.8° | 0.5° |
| C57 | C15 | C16 | H161 | 147.3° | 172.1° |
| C15 | C57 | C58 | H581 | 179.2° | 179.6° |
| C57 | C58 | N59 | H581 | 180.0° | 179.9° |
| C57 | C58 | N59 | C60 | 168.5° | 165.4° |
| C57 | C58 | N59 | C12 | 6.7° | 14.6° |
| C58 | N59 | C60 | C12 | 175.2° | 180.0° |
| N59 | C58 | C57 | H571 | 179.2° | 179.6° |
| C58 | N59 | C60 | H601 | 180.0° | 90.0° |
| C58 | N59 | C60 | H602 | 60.0° | 30.0° |
| C58 | N59 | C60 | H603 | 60.0° | 150.1° |
| C60 | N59 | C58 | H581 | 11.5° | 14.5° |
| N59 | C60 | H601 | H602 | 120.0° | 120.0° |
| N59 | C60 | H601 | H603 | 120.0° | 120.0° |
| N59 | C60 | H602 | H603 | 120.0° | 120.1° |
| C06 | C01 | C09 | C14 | 118.6° | 180.0° |
| C06 | C01 | C02 | H021 | 180.0° | 179.9° |
| C01 | C06 | C05 | H051 | 180.0° | 180.0° |
| C14 | C09 | C10 | H101 | 180.0° | 179.6° |
| N59 | C12 | C11 | H111 | 4.4° | 0.3° |
| C12 | N59 | C58 | H581 | 173.3° | 165.4° |
| C12 | N59 | C60 | H601 | 4.8° | 90.0° |
| C12 | N59 | C60 | H602 | 124.8° | 150.0° |
| C12 | N59 | C60 | H603 | 115.3° | 30.0° |
| S21 | C17 | C16 | H161 | 132.0° | 147.4° |
| C19 | C25 | C24 | H241 | 180.0° | 180.0° |
| S51 | C47 | C48 | N54 | 146.5° | 154.9° |
| S51 | C47 | C46 | H461 | 61.1° | 53.5° |
| S51 | C47 | C46 | H462 | 179.7° | 173.5° |
| S51 | C47 | C48 | H481 | 82.0° | 76.6° |
| C47 | S51 | C50 | H501 | 138.1° | 93.4° |
| C47 | S51 | C50 | H502 | 99.8° | 142.1° |
| N54 | C48 | C47 | H471 | 26.0° | 36.5° |
| N54 | C48 | C49 | H491 | 53.5° | 74.7° |
| H021 | C02 | C03 | H031 | 0.0° | 0.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H081 | C08 | H082 | H083 | 120.0° | 120.0° |
| H101 | C10 | C11 | H111 | 0.0° | 0.0° |
| H221 | C22 | C23 | H231 | 0.0° | 0.0° |
| H231 | C23 | C24 | H241 | 0.0° | 0.0° |
| H241 | C24 | C25 | H251 | 0.0° | 0.0° |
| H291 | N29 | C30 | H301 | 122.4° | 119.9° |
| H291 | N29 | C30 | H302 | 117.9° | 120.0° |
| H301 | C30 | C31 | H311 | 77.2° | 65.0° |
| H301 | C30 | C31 | H312 | 43.1° | 175.0° |
| H302 | C30 | C31 | H311 | 163.1° | 55.0° |
| H302 | C30 | C31 | H312 | 76.6° | 65.0° |
| H331 | C33 | C34 | H341 | 166.2° | 65.0° |
| H331 | C33 | C34 | H342 | 73.6° | 175.0° |
| H332 | C33 | C34 | H341 | 45.8° | 54.9° |
| H332 | C33 | C34 | H342 | 166.1° | 65.1° |
| H361 | C36 | C37 | H371 | 154.2° | 65.0° |
| H361 | C36 | C37 | H372 | 85.5° | 175.0° |
| H362 | C36 | C37 | H371 | 33.8° | 54.9° |
| H362 | C36 | C37 | H372 | 154.1° | 65.0° |
| H391 | C39 | C40 | H401 | 83.3° | 65.1° |
| H391 | C39 | C40 | H402 | 36.5° | 175.0° |
| H392 | C39 | C40 | H401 | 156.3° | 55.0° |
| H392 | C39 | C40 | H402 | 83.9° | 65.0° |
| H401 | C40 | N41 | H411 | 176.1° | 119.9° |
| H402 | C40 | N41 | H411 | 64.1° | 120.0° |
| H431 | C43 | C44 | H441 | 124.6° | 180.0° |
| H431 | C43 | C44 | H442 | 116.3° | 60.0° |
| H432 | C43 | C44 | H441 | 116.2° | 60.0° |
| H432 | C43 | C44 | H442 | 2.9° | 180.0° |
| H441 | C44 | C45 | H451 | 146.1° | 180.0° |
| H441 | C44 | C45 | H452 | 94.8° | 60.0° |
| H442 | C44 | C45 | H451 | 26.9° | 59.9° |
| H442 | C44 | C45 | H452 | 146.1° | 180.0° |
| H451 | C45 | C46 | H461 | 112.1° | 180.0° |
| H451 | C45 | C46 | H462 | 7.0° | 60.0° |
| H452 | C45 | C46 | H461 | 128.8° | 60.0° |
| H452 | C45 | C46 | H462 | 112.1° | NaN° |
| H461 | C46 | C47 | H471 | 178.4° | 176.9° |
| H462 | C46 | C47 | H471 | 59.3° | 63.1° |
| H471 | C47 | C48 | H481 | 157.5° | 165.1° |
| H481 | C48 | C49 | H491 | 174.5° | 174.2° |
| H481 | C48 | N54 | H541 | 88.9° | 103.5° |
| H491 | C49 | C50 | H501 | 54.6° | 171.8° |
| H491 | C49 | C50 | H502 | 176.6° | 47.3° |
| H491 | C49 | N52 | H521 | 109.6° | 97.9° |
| H571 | C57 | C58 | H581 | 0.8° | 0.4° |
| H601 | C60 | H602 | H603 | 120.0° | 119.9° |
