A1BU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C13 | sing | 1.55Å | 1.49Å | |
| C10 | N57 | sing | 1.47Å | 1.44Å | |
| C10 | O28 | sing | 1.44Å | 1.52Å | |
| C13 | C16 | sing | 1.55Å | 1.46Å | |
| C13 | O03 | sing | 1.43Å | 1.46Å | |
| C16 | C19 | sing | 1.54Å | 1.48Å | |
| C16 | O04 | sing | 1.43Å | 1.47Å | |
| C19 | C21 | sing | 1.53Å | 1.49Å | |
| C19 | O28 | sing | 1.44Å | 1.54Å | |
| C21 | O05 | sing | 1.43Å | 1.42Å | |
| C23 | C25 | sing | 1.53Å | 1.50Å | |
| C23 | O15 | sing | 1.43Å | 1.41Å | |
| C25 | C27 | sing | 1.55Å | 1.49Å | |
| C25 | O22 | sing | 1.44Å | 1.51Å | |
| C27 | C29 | sing | 1.54Å | 1.47Å | |
| C27 | O18 | sing | 1.43Å | 1.46Å | |
| C29 | C30 | sing | 1.54Å | 1.49Å | |
| C29 | O20 | sing | 1.43Å | 1.46Å | |
| C30 | N06 | sing | 1.47Å | 1.43Å | |
| C30 | O22 | sing | 1.44Å | 1.51Å | |
| C31 | C34 | doub | 1.41Å | 1.38Å | Aromatic |
| C31 | N06 | sing | 1.37Å | 1.33Å | Aromatic |
| C31 | N08 | sing | 1.33Å | 1.32Å | Aromatic |
| C32 | N08 | doub | 1.32Å | 1.38Å | Aromatic |
| C32 | N11 | sing | 1.32Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.41Å | 1.36Å | Aromatic |
| C33 | N11 | doub | 1.33Å | 1.33Å | Aromatic |
| C33 | N14 | sing | 1.38Å | 1.46Å | |
| C34 | N17 | sing | 1.35Å | 1.48Å | Aromatic |
| C35 | N06 | sing | 1.36Å | 1.34Å | Aromatic |
| C35 | N17 | doub | 1.30Å | 1.38Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | CL61 | sing | 1.74Å | 1.79Å | |
| C39 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | F60 | sing | 1.35Å | 1.37Å | |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.51Å | 1.54Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C42 | C48 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C44 | N45 | sing | 1.46Å | 1.48Å | |
| C46 | C48 | sing | 1.50Å | 1.54Å | |
| C46 | N45 | sing | 1.33Å | 1.47Å | |
| C46 | O47 | doub | 1.21Å | 1.19Å | |
| C49 | C50 | sing | 1.54Å | 1.53Å | |
| C49 | C52 | sing | 1.55Å | 1.52Å | |
| C49 | C53 | sing | 1.55Å | 1.54Å | |
| C49 | N45 | sing | 1.47Å | 1.50Å | |
| C50 | C51 | sing | 1.54Å | 1.53Å | |
| C51 | C52 | sing | 1.55Å | 1.54Å | |
| C51 | C53 | sing | 1.55Å | 1.53Å | |
| C51 | C54 | sing | 1.51Å | 1.56Å | |
| C54 | C55 | doub | 1.39Å | 1.43Å | Aromatic |
| C54 | C59 | sing | 1.39Å | 1.43Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.41Å | Aromatic |
| C56 | N57 | doub | 1.32Å | 1.44Å | Aromatic |
| C58 | C59 | doub | 1.38Å | 1.40Å | Aromatic |
| C58 | N57 | sing | 1.32Å | 1.42Å | Aromatic |
| O05 | P01 | sing | 1.61Å | 1.65Å | |
| O07 | P01 | doub | 1.48Å | 1.47Å | |
| O09 | P01 | sing | 1.61Å | 1.65Å | |
| O09 | P02 | sing | 1.61Å | 1.65Å | |
| O12 | P02 | doub | 1.48Å | 1.47Å | |
| O15 | P02 | sing | 1.61Å | 1.65Å | |
| O24 | P02 | sing | 1.61Å | 1.46Å | |
| O26 | P01 | sing | 1.61Å | 1.46Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.08Å | 1.08Å | |
| C59 | H591 | sing | 1.08Å | 1.08Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | sing | 0.97Å | 1.00Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| O24 | H1 | sing | 0.97Å | 0.95Å | |
| O26 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C10 | N57 | 116.8° | 110.6° |
| C13 | C10 | O28 | 107.2° | 103.5° |
| C10 | C13 | C16 | 109.9° | 102.1° |
| C10 | C13 | O03 | 104.2° | 110.9° |
| C13 | C10 | H101 | 106.6° | 110.6° |
| C10 | C13 | H131 | 110.0° | 110.9° |
| N57 | C10 | O28 | 112.2° | 110.7° |
| C10 | N57 | C56 | 120.9° | 119.1° |
| C10 | N57 | C58 | 118.1° | 119.1° |
| N57 | C10 | H101 | 107.2° | 110.6° |
| C10 | O28 | C19 | 102.3° | 107.0° |
| O28 | C10 | H101 | 106.2° | 110.7° |
| C16 | C13 | O03 | 111.5° | 110.9° |
| C13 | C16 | C19 | 104.7° | 104.2° |
| C13 | C16 | O04 | 115.6° | 110.5° |
| C16 | C13 | H131 | 110.4° | 110.9° |
| C13 | C16 | H161 | 110.3° | 110.5° |
| O03 | C13 | H131 | 110.5° | 110.8° |
| C13 | O03 | H031 | 109.5° | 114.0° |
| C19 | C16 | O04 | 105.6° | 110.5° |
| C16 | C19 | C21 | 117.0° | 109.9° |
| C16 | C19 | O28 | 108.0° | 107.3° |
| C19 | C16 | H161 | 110.2° | 110.5° |
| C16 | C19 | H191 | 108.5° | 109.9° |
| O04 | C16 | H161 | 110.2° | 110.5° |
| C16 | O04 | H041 | 109.5° | 114.0° |
| C21 | C19 | O28 | 106.8° | 109.9° |
| C19 | C21 | O05 | 105.9° | 109.5° |
| C21 | C19 | H191 | 108.4° | 109.9° |
| C19 | C21 | H212 | 110.3° | 109.4° |
| C19 | C21 | H211 | 110.4° | 109.5° |
| O28 | C19 | H191 | 107.8° | 110.0° |
| C21 | O05 | P01 | 117.4° | 123.0° |
| O05 | C21 | H212 | 110.4° | 109.4° |
| O05 | C21 | H211 | 110.3° | 109.5° |
| C25 | C23 | O15 | 107.3° | 109.5° |
| C23 | C25 | C27 | 111.1° | 110.4° |
| C23 | C25 | O22 | 113.0° | 110.4° |
| C25 | C23 | H231 | 110.0° | 109.5° |
| C25 | C23 | H232 | 110.0° | 109.5° |
| C23 | C25 | H251 | 109.5° | 110.4° |
| C23 | O15 | P02 | 117.0° | 123.0° |
| O15 | C23 | H231 | 110.0° | 109.4° |
| O15 | C23 | H232 | 110.0° | 109.5° |
| C27 | C25 | O22 | 104.2° | 104.8° |
| C25 | C27 | C29 | 107.8° | 104.1° |
| C25 | C27 | O18 | 108.1° | 110.5° |
| C27 | C25 | H251 | 109.6° | 110.3° |
| C25 | C27 | H271 | 110.1° | 110.5° |
| C25 | O22 | C30 | 106.8° | 105.3° |
| O22 | C25 | H251 | 109.3° | 110.5° |
| C29 | C27 | O18 | 110.0° | 110.5° |
| C27 | C29 | C30 | 103.7° | 104.0° |
| C27 | C29 | O20 | 109.3° | 110.5° |
| C29 | C27 | H271 | 110.4° | 110.5° |
| C27 | C29 | H291 | 110.9° | 110.5° |
| O18 | C27 | H271 | 110.4° | 110.6° |
| C27 | O18 | H181 | 109.5° | 114.0° |
| C30 | C29 | O20 | 111.0° | 110.5° |
| C29 | C30 | N06 | 116.8° | 110.4° |
| C29 | C30 | O22 | 106.4° | 104.8° |
| C30 | C29 | H291 | 110.6° | 110.5° |
| C29 | C30 | H301 | 107.7° | 110.4° |
| O20 | C29 | H291 | 111.1° | 110.6° |
| C29 | O20 | H201 | 109.5° | 114.0° |
| N06 | C30 | O22 | 109.7° | 110.4° |
| C30 | N06 | C31 | 119.4° | 126.2° |
| C30 | N06 | C35 | 124.8° | 126.3° |
| N06 | C30 | H301 | 108.5° | 110.3° |
| O22 | C30 | H301 | 107.4° | 110.5° |
| C34 | C31 | N06 | 105.8° | 106.0° |
| C34 | C31 | N08 | 121.9° | 119.1° |
| C31 | C34 | C33 | 118.6° | 118.2° |
| C31 | C34 | N17 | 106.6° | 107.1° |
| N06 | C31 | N08 | 132.3° | 135.0° |
| C31 | N06 | C35 | 115.7° | 107.5° |
| C31 | N08 | C32 | 118.9° | 120.7° |
| N08 | C32 | N11 | 119.5° | 122.5° |
| N08 | C32 | H321 | 120.3° | 118.8° |
| C32 | N11 | C33 | 120.5° | 121.1° |
| N11 | C32 | H321 | 120.2° | 118.7° |
| C34 | C33 | N11 | 120.4° | 118.5° |
| C34 | C33 | N14 | 120.3° | 120.8° |
| C33 | C34 | N17 | 134.8° | 134.7° |
| N11 | C33 | N14 | 119.3° | 120.7° |
| C33 | N14 | H141 | 109.5° | 120.0° |
| C33 | N14 | H142 | 109.5° | 120.0° |
| C34 | N17 | C35 | 106.4° | 109.5° |
| N06 | C35 | N17 | 105.5° | 110.0° |
| N06 | C35 | H351 | 127.2° | 125.1° |
| N17 | C35 | H351 | 127.3° | 125.0° |
| C37 | C36 | C41 | 118.9° | 120.1° |
| C36 | C37 | C38 | 118.5° | 120.0° |
| C37 | C36 | H361 | 120.5° | 120.0° |
| C36 | C37 | H371 | 120.8° | 120.0° |
| C36 | C41 | C40 | 122.7° | 120.0° |
| C36 | C41 | C42 | 115.1° | 120.0° |
| C41 | C36 | H361 | 120.6° | 120.0° |
| C37 | C38 | C39 | 122.3° | 120.0° |
| C37 | C38 | CL61 | 117.5° | 120.0° |
| C38 | C37 | H371 | 120.7° | 120.0° |
| C39 | C38 | CL61 | 120.2° | 120.0° |
| C38 | C39 | C40 | 119.4° | 119.9° |
| C38 | C39 | F60 | 119.2° | 120.1° |
| C40 | C39 | F60 | 121.5° | 120.0° |
| C39 | C40 | C41 | 118.2° | 120.0° |
| C39 | C40 | H401 | 120.9° | 119.9° |
| C40 | C41 | C42 | 122.2° | 120.0° |
| C41 | C40 | H401 | 120.9° | 120.0° |
| C41 | C42 | C43 | 115.9° | 109.6° |
| C41 | C42 | C48 | 103.1° | 109.7° |
| C41 | C42 | H421 | 108.0° | 109.6° |
| C43 | C42 | C48 | 112.6° | 108.5° |
| C42 | C43 | C44 | 106.5° | 108.7° |
| C43 | C42 | H421 | 108.5° | 109.7° |
| C42 | C43 | H432 | 110.2° | 109.6° |
| C42 | C43 | H431 | 110.2° | 109.6° |
| C42 | C48 | C46 | 111.6° | 109.9° |
| C48 | C42 | H421 | 108.3° | 109.7° |
| C42 | C48 | H481 | 109.0° | 109.4° |
| C42 | C48 | H482 | 108.9° | 109.4° |
| C43 | C44 | N45 | 114.6° | 110.5° |
| C44 | C43 | H432 | 110.2° | 109.6° |
| C44 | C43 | H431 | 110.2° | 109.6° |
| C43 | C44 | H442 | 108.2° | 109.3° |
| C43 | C44 | H441 | 108.2° | 109.3° |
| C44 | N45 | C46 | 120.6° | 124.1° |
| C44 | N45 | C49 | 120.3° | 118.0° |
| N45 | C44 | H442 | 108.2° | 109.3° |
| N45 | C44 | H441 | 108.2° | 109.3° |
| C48 | C46 | N45 | 120.4° | 123.5° |
| C48 | C46 | O47 | 118.9° | 118.3° |
| C46 | C48 | H481 | 108.9° | 109.4° |
| C46 | C48 | H482 | 109.0° | 109.4° |
| N45 | C46 | O47 | 120.6° | 118.3° |
| C46 | N45 | C49 | 119.0° | 117.9° |
| C50 | C49 | C52 | 95.2° | 84.5° |
| C50 | C49 | C53 | 99.7° | 84.5° |
| C50 | C49 | N45 | 126.3° | 129.0° |
| C49 | C50 | C51 | 62.5° | 78.9° |
| C49 | C50 | H501 | 119.6° | 114.9° |
| C49 | C50 | H502 | 119.6° | 114.9° |
| C52 | C49 | C53 | 91.4° | 83.3° |
| C52 | C49 | N45 | 115.6° | 129.1° |
| C49 | C52 | C51 | 62.9° | 78.6° |
| C49 | C52 | H522 | 119.5° | 115.0° |
| C49 | C52 | H521 | 119.5° | 115.0° |
| C53 | C49 | N45 | 120.8° | 129.9° |
| C49 | C53 | C51 | 62.4° | 78.6° |
| C49 | C53 | H531 | 119.6° | 115.0° |
| C49 | C53 | H532 | 119.6° | 115.0° |
| C50 | C51 | C52 | 94.4° | 84.5° |
| C50 | C51 | C53 | 100.2° | 84.5° |
| C50 | C51 | C54 | 114.2° | 129.1° |
| C51 | C50 | H501 | 119.6° | 114.9° |
| C51 | C50 | H502 | 119.6° | 114.9° |
| C52 | C51 | C53 | 91.2° | 83.2° |
| C52 | C51 | C54 | 124.3° | 129.1° |
| C51 | C52 | H522 | 119.5° | 115.0° |
| C51 | C52 | H521 | 119.5° | 115.0° |
| C53 | C51 | C54 | 125.8° | 130.0° |
| C51 | C53 | H531 | 119.6° | 115.0° |
| C51 | C53 | H532 | 119.6° | 114.9° |
| C51 | C54 | C55 | 120.7° | 120.8° |
| C51 | C54 | C59 | 119.2° | 120.8° |
| C55 | C54 | C59 | 120.1° | 118.4° |
| C54 | C55 | C56 | 119.6° | 119.2° |
| C54 | C55 | H551 | 120.2° | 120.4° |
| C54 | C59 | C58 | 120.8° | 119.2° |
| C54 | C59 | H591 | 119.6° | 120.5° |
| C55 | C56 | N57 | 119.7° | 120.8° |
| C56 | C55 | H551 | 120.2° | 120.4° |
| C55 | C56 | H561 | 120.1° | 119.6° |
| C56 | N57 | C58 | 120.7° | 121.7° |
| N57 | C56 | H561 | 120.2° | 119.6° |
| C59 | C58 | N57 | 119.0° | 120.7° |
| C59 | C58 | H581 | 120.5° | 119.7° |
| C58 | C59 | H591 | 119.6° | 120.4° |
| N57 | C58 | H581 | 120.5° | 119.6° |
| O05 | P01 | O07 | 111.2° | 109.4° |
| O05 | P01 | O09 | 102.2° | 109.5° |
| O05 | P01 | O26 | 112.5° | 109.5° |
| O07 | P01 | O09 | 111.3° | 109.5° |
| O07 | P01 | O26 | 105.1° | 109.5° |
| P01 | O09 | P02 | 127.1° | 134.0° |
| O09 | P01 | O26 | 114.7° | 109.5° |
| O09 | P02 | O12 | 111.0° | 109.5° |
| O09 | P02 | O15 | 102.0° | 109.5° |
| O09 | P02 | O24 | 115.5° | 109.4° |
| O12 | P02 | O15 | 114.3° | 109.5° |
| O12 | P02 | O24 | 103.1° | 109.5° |
| O15 | P02 | O24 | 111.4° | 109.5° |
| P02 | O24 | H1 | 109.5° | 114.0° |
| P01 | O26 | H2 | 109.5° | 114.0° |
| H212 | C21 | H211 | 109.4° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.8° |
| H442 | C44 | H441 | 109.5° | 109.2° |
| H481 | C48 | H482 | 109.5° | 109.3° |
| H501 | C50 | H502 | 109.4° | 113.9° |
| H522 | C52 | H521 | 109.5° | 113.8° |
| H531 | C53 | H532 | 109.5° | 113.9° |
| H141 | N14 | H142 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C10 | N57 | O28 | 124.3° | 114.1° |
| C13 | C10 | N57 | H101 | 119.4° | 122.9° |
| C13 | C10 | O28 | H101 | 113.7° | 118.6° |
| C10 | C13 | C16 | O03 | 115.1° | 118.2° |
| C10 | C13 | C16 | H131 | 121.6° | 118.2° |
| C10 | C13 | O03 | H131 | 118.2° | 123.7° |
| C10 | C13 | C16 | C19 | 16.6° | 20.9° |
| C10 | C13 | C16 | O04 | 99.1° | 97.8° |
| C13 | C10 | O28 | C19 | 16.8° | 40.0° |
| C13 | C10 | N57 | C56 | 131.6° | 100.0° |
| C13 | C10 | N57 | C58 | 54.0° | 79.7° |
| C10 | C13 | C16 | H161 | 135.1° | 139.6° |
| C10 | C13 | O03 | H031 | 180.0° | 180.0° |
| N57 | C10 | O28 | H101 | 116.8° | 123.0° |
| N57 | C10 | C13 | C16 | 126.1° | 155.5° |
| N57 | C10 | C13 | O03 | 114.2° | 86.3° |
| N57 | C10 | O28 | C19 | 112.7° | 158.5° |
| C10 | N57 | C56 | C55 | 176.7° | 179.9° |
| C10 | N57 | C56 | C58 | 174.3° | 179.7° |
| C10 | N57 | C58 | C59 | 177.3° | 179.9° |
| N57 | C10 | C13 | H131 | 4.3° | 37.4° |
| C10 | N57 | C56 | H561 | 3.3° | 0.0° |
| C10 | N57 | C58 | H581 | 2.7° | 0.0° |
| O28 | C10 | C13 | C16 | 0.7° | 37.0° |
| O28 | C10 | C13 | O03 | 119.0° | 155.2° |
| C10 | O28 | C19 | C16 | 27.7° | 26.5° |
| C10 | O28 | C19 | C21 | 99.0° | 145.9° |
| O28 | C10 | N57 | C56 | 7.3° | 145.9° |
| O28 | C10 | N57 | C58 | 178.3° | 34.3° |
| O28 | C10 | C13 | H131 | 122.5° | 81.2° |
| C10 | O28 | C19 | H191 | 144.7° | 93.0° |
| C16 | C13 | O03 | H131 | 123.2° | 123.6° |
| C13 | C16 | C19 | O04 | 122.4° | 118.7° |
| C13 | C16 | C19 | H161 | 118.6° | 118.7° |
| C13 | C16 | O04 | H161 | 125.9° | 122.6° |
| C13 | C16 | C19 | C21 | 92.8° | 121.4° |
| C13 | C16 | C19 | O28 | 27.7° | 2.0° |
| C16 | C13 | C10 | H101 | 114.1° | 81.6° |
| C13 | C16 | C19 | H191 | 144.3° | 117.5° |
| C16 | C13 | O03 | H031 | 61.4° | 67.3° |
| C13 | C16 | O04 | H041 | 180.0° | 61.5° |
| O03 | C13 | C16 | C19 | 131.7° | 139.1° |
| O03 | C13 | C16 | O04 | 16.0° | 20.4° |
| O03 | C13 | C10 | H101 | 5.5° | 36.6° |
| O03 | C13 | C16 | H161 | 109.8° | 102.2° |
| C19 | C16 | O04 | H161 | 118.9° | 122.7° |
| C16 | C19 | C21 | O28 | 121.1° | 117.8° |
| C16 | C19 | C21 | H191 | 123.0° | 121.0° |
| C16 | C19 | O28 | H191 | 117.0° | 119.4° |
| C16 | C19 | C21 | O05 | 174.1° | 175.0° |
| C19 | C16 | C13 | H131 | 105.0° | 97.3° |
| C16 | C19 | C21 | H212 | 66.4° | 55.0° |
| C16 | C19 | C21 | H211 | 54.7° | 64.9° |
| C19 | C16 | O04 | H041 | 64.9° | 176.2° |
| O04 | C16 | C19 | C21 | 144.8° | 119.9° |
| O04 | C16 | C19 | O28 | 94.8° | 120.7° |
| O04 | C16 | C13 | H131 | 139.3° | 144.0° |
| O04 | C16 | C19 | H191 | 21.8° | 1.2° |
| C21 | C19 | O28 | H191 | 116.3° | 121.1° |
| C19 | C21 | O05 | H212 | 119.4° | 120.0° |
| C19 | C21 | O05 | H211 | 119.5° | 120.1° |
| C19 | C21 | O05 | P01 | 174.2° | 180.0° |
| C21 | C19 | C16 | H161 | 25.8° | 2.8° |
| C19 | C21 | H212 | H211 | 121.6° | 120.0° |
| O28 | C19 | C21 | O05 | 53.1° | 67.2° |
| C19 | O28 | C10 | H101 | 130.5° | 78.5° |
| O28 | C19 | C16 | H161 | 146.3° | 116.7° |
| O28 | C19 | C21 | H212 | 172.5° | 172.8° |
| O28 | C19 | C21 | H211 | 66.4° | 52.9° |
| C21 | O05 | P01 | O07 | 51.1° | 54.9° |
| C21 | O05 | P01 | O09 | 67.8° | 175.0° |
| C21 | O05 | P01 | O26 | 168.7° | 65.0° |
| O05 | C21 | C19 | H191 | 62.8° | 54.0° |
| O05 | C21 | H212 | H211 | 121.6° | 120.0° |
| C25 | C23 | O15 | H231 | 119.7° | 119.9° |
| C25 | C23 | O15 | H232 | 119.7° | 120.0° |
| C23 | C25 | C27 | O22 | 122.0° | 118.8° |
| C23 | C25 | C27 | H251 | 121.1° | 122.2° |
| C23 | C25 | O22 | H251 | 122.1° | 122.3° |
| C23 | C25 | C27 | C29 | 95.3° | 142.8° |
| C23 | C25 | C27 | O18 | 145.8° | 98.5° |
| C23 | C25 | O22 | C30 | 112.4° | 159.3° |
| C25 | C23 | O15 | P02 | 147.5° | 180.0° |
| C25 | C23 | H231 | H232 | 121.0° | 120.1° |
| C23 | C25 | C27 | H271 | 25.1° | 24.1° |
| O15 | C23 | C25 | C27 | 47.7° | 175.0° |
| O15 | C23 | C25 | O22 | 69.0° | 69.7° |
| C23 | O15 | P02 | O09 | 55.7° | 175.0° |
| C23 | O15 | P02 | O12 | 64.2° | 55.0° |
| C23 | O15 | P02 | O24 | 179.5° | 65.1° |
| O15 | C23 | H231 | H232 | 121.0° | 120.0° |
| O15 | C23 | C25 | H251 | 169.0° | 52.7° |
| C27 | C25 | O22 | H251 | 117.1° | 118.8° |
| C25 | C27 | C29 | O18 | 117.7° | 118.6° |
| C25 | C27 | C29 | H271 | 120.3° | 118.6° |
| C25 | C27 | O18 | H271 | 120.5° | 122.6° |
| C25 | C27 | C29 | C30 | 34.4° | 0.0° |
| C25 | C27 | C29 | O20 | 152.9° | 118.7° |
| C27 | C25 | O22 | C30 | 8.4° | 40.5° |
| C27 | C25 | C23 | H231 | 167.4° | 55.1° |
| C27 | C25 | C23 | H232 | 72.0° | 65.0° |
| C25 | C27 | C29 | H291 | 84.3° | 118.6° |
| C25 | C27 | O18 | H181 | 180.0° | 180.0° |
| O22 | C25 | C27 | C29 | 26.6° | 24.0° |
| O22 | C25 | C27 | O18 | 92.3° | 142.6° |
| C25 | O22 | C30 | C29 | 12.2° | 40.5° |
| C25 | O22 | C30 | N06 | 139.4° | 159.3° |
| O22 | C25 | C23 | H231 | 50.6° | 170.4° |
| O22 | C25 | C23 | H232 | 171.3° | 50.3° |
| O22 | C25 | C27 | H271 | 147.1° | 94.7° |
| C25 | O22 | C30 | H301 | 102.9° | 78.4° |
| C29 | C27 | O18 | H271 | 122.0° | 122.7° |
| C27 | C29 | C30 | O20 | 117.2° | 118.7° |
| C27 | C29 | C30 | H291 | 118.9° | 118.6° |
| C27 | C29 | O20 | H291 | 122.7° | 122.7° |
| C27 | C29 | C30 | N06 | 151.0° | 142.8° |
| C27 | C29 | C30 | O22 | 28.1° | 24.0° |
| C29 | C27 | C25 | H251 | 143.5° | 95.0° |
| C27 | C29 | C30 | H301 | 86.7° | 95.0° |
| C29 | C27 | O18 | H181 | 62.5° | 65.4° |
| C27 | C29 | O20 | H201 | 180.0° | 61.4° |
| O18 | C27 | C29 | C30 | 83.3° | 118.6° |
| O18 | C27 | C29 | O20 | 35.2° | 0.0° |
| O18 | C27 | C25 | H251 | 24.6° | 23.7° |
| O18 | C27 | C29 | H291 | 158.0° | 122.8° |
| C30 | C29 | O20 | H291 | 123.5° | 122.6° |
| C29 | C30 | N06 | O22 | 121.1° | 115.4° |
| C29 | C30 | N06 | H301 | 121.8° | 122.3° |
| C29 | C30 | O22 | H301 | 115.1° | 118.9° |
| C29 | C30 | N06 | C31 | 108.4° | 85.0° |
| C29 | C30 | N06 | C35 | 73.8° | 95.0° |
| C30 | C29 | C27 | H271 | 154.7° | 118.6° |
| C30 | C29 | O20 | H201 | 66.2° | 176.1° |
| O20 | C29 | C30 | N06 | 91.7° | 98.6° |
| O20 | C29 | C30 | O22 | 145.4° | 142.6° |
| O20 | C29 | C27 | H271 | 86.9° | 122.7° |
| O20 | C29 | C30 | H301 | 30.5° | 23.7° |
| N06 | C30 | O22 | H301 | 117.7° | 122.3° |
| C30 | N06 | C31 | C34 | 179.4° | 180.0° |
| C30 | N06 | C31 | C35 | 178.0° | 180.0° |
| C30 | N06 | C31 | N08 | 1.5° | 0.3° |
| C30 | N06 | C35 | N17 | 179.4° | 180.0° |
| N06 | C30 | C29 | H291 | 32.1° | 24.1° |
| C30 | N06 | C35 | H351 | 0.6° | 0.0° |
| O22 | C30 | N06 | C31 | 130.5° | 159.6° |
| O22 | C30 | N06 | C35 | 47.4° | 20.3° |
| C30 | O22 | C25 | H251 | 125.5° | 78.3° |
| O22 | C30 | C29 | H291 | 90.8° | 94.7° |
| C34 | C31 | N06 | N08 | 179.1° | 179.7° |
| C34 | C31 | N08 | C32 | 0.3° | 0.0° |
| C31 | C34 | C33 | N17 | 179.3° | 179.9° |
| C31 | C34 | C33 | N11 | 0.7° | 0.5° |
| C31 | C34 | C33 | N14 | 179.8° | 180.0° |
| C34 | C31 | N06 | C35 | 1.4° | 0.0° |
| C31 | C34 | N17 | C35 | 0.1° | 0.1° |
| N06 | C31 | N08 | C32 | 179.3° | 179.7° |
| N06 | C31 | C34 | C33 | 179.8° | 180.0° |
| N06 | C31 | C34 | N17 | 0.7° | 0.0° |
| C31 | N06 | C35 | N17 | 1.5° | 0.0° |
| C31 | N06 | C30 | H301 | 13.4° | 37.3° |
| C31 | N06 | C35 | H351 | 178.5° | 180.0° |
| C31 | N08 | C32 | N11 | 0.1° | 0.0° |
| N08 | C31 | C34 | C33 | 0.6° | 0.3° |
| N08 | C31 | C34 | N17 | 179.9° | 179.8° |
| N08 | C31 | N06 | C35 | 179.5° | 179.7° |
| C31 | N08 | C32 | H321 | 179.9° | 180.0° |
| N08 | C32 | N11 | H321 | 180.0° | 180.0° |
| N08 | C32 | N11 | C33 | 0.2° | 0.3° |
| C32 | N11 | C33 | C34 | 0.5° | 0.5° |
| C32 | N11 | C33 | N14 | 179.6° | 180.0° |
| C34 | C33 | N11 | N14 | 179.1° | 179.5° |
| C33 | C34 | N17 | C35 | 179.2° | 180.0° |
| C34 | C33 | N14 | H141 | 179.1° | 0.1° |
| C34 | C33 | N14 | H142 | 60.9° | 180.0° |
| N11 | C33 | C34 | N17 | 180.0° | 179.6° |
| C33 | N11 | C32 | H321 | 179.8° | 179.7° |
| N11 | C33 | N14 | H141 | 0.0° | 179.6° |
| N11 | C33 | N14 | H142 | 120.0° | 0.5° |
| N14 | C33 | C34 | N17 | 0.9° | 0.1° |
| C33 | N14 | H141 | H142 | 120.0° | 180.0° |
| C34 | N17 | C35 | N06 | 0.9° | 0.1° |
| C34 | N17 | C35 | H351 | 179.1° | 180.0° |
| N06 | C35 | N17 | H351 | 180.0° | 180.0° |
| C35 | N06 | C30 | H301 | 164.4° | 142.7° |
| C37 | C36 | C41 | H361 | 180.0° | 179.8° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.5° | 0.1° |
| C36 | C37 | C38 | CL61 | 179.1° | 180.0° |
| C37 | C36 | C41 | C40 | 0.9° | 0.0° |
| C37 | C36 | C41 | C42 | 179.6° | 180.0° |
| C41 | C36 | C37 | C38 | 0.2° | 0.0° |
| C36 | C41 | C40 | C39 | 0.9° | 0.0° |
| C36 | C41 | C40 | C42 | 178.6° | 179.9° |
| C36 | C41 | C42 | C43 | 125.2° | 120.0° |
| C36 | C41 | C42 | C48 | 111.3° | 121.0° |
| C41 | C36 | C37 | H371 | 179.8° | 180.0° |
| C36 | C41 | C40 | H401 | 179.1° | 180.0° |
| C36 | C41 | C42 | H421 | 3.2° | 0.5° |
| C37 | C38 | C39 | CL61 | 178.5° | 180.0° |
| C37 | C38 | C39 | C40 | 0.5° | 0.0° |
| C37 | C38 | C39 | F60 | 179.1° | 180.0° |
| C38 | C37 | C36 | H361 | 179.8° | 179.8° |
| C38 | C39 | C40 | F60 | 179.6° | 180.0° |
| C38 | C39 | C40 | C41 | 0.2° | 0.0° |
| C39 | C38 | C37 | H371 | 179.5° | 180.0° |
| C38 | C39 | C40 | H401 | 179.8° | 180.0° |
| CL61 | C38 | C39 | C40 | 179.0° | 180.0° |
| CL61 | C38 | C39 | F60 | 0.6° | 0.0° |
| CL61 | C38 | C37 | H371 | 0.9° | 0.0° |
| C39 | C40 | C41 | H401 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 179.5° | 180.0° |
| F60 | C39 | C40 | C41 | 179.8° | 179.9° |
| F60 | C39 | C40 | H401 | 0.2° | 0.0° |
| C40 | C41 | C42 | C43 | 56.1° | 60.0° |
| C40 | C41 | C42 | C48 | 67.4° | 59.0° |
| C40 | C41 | C36 | H361 | 179.1° | 179.8° |
| C40 | C41 | C42 | H421 | 178.1° | 179.5° |
| C41 | C42 | C43 | C48 | 118.4° | 119.8° |
| C41 | C42 | C43 | H421 | 121.7° | 120.4° |
| C41 | C42 | C48 | H421 | 114.3° | 120.5° |
| C41 | C42 | C43 | C44 | 174.5° | 172.7° |
| C41 | C42 | C48 | C46 | 173.9° | 168.6° |
| C42 | C41 | C36 | H361 | 0.4° | 0.2° |
| C42 | C41 | C40 | H401 | 0.5° | 0.1° |
| C41 | C42 | C43 | H432 | 54.9° | 53.0° |
| C41 | C42 | C43 | H431 | 66.0° | 67.5° |
| C41 | C42 | C48 | H481 | 53.6° | 48.5° |
| C41 | C42 | C48 | H482 | 65.8° | 71.2° |
| C43 | C42 | C48 | H421 | 120.0° | 119.8° |
| C42 | C43 | C44 | H432 | 119.5° | 119.8° |
| C42 | C43 | C44 | H431 | 119.5° | 119.7° |
| C42 | C43 | C44 | N45 | 50.8° | 50.7° |
| C43 | C42 | C48 | C46 | 48.2° | 48.9° |
| C42 | C43 | H432 | H431 | 121.4° | 120.4° |
| C42 | C43 | C44 | H442 | 70.0° | 69.6° |
| C42 | C43 | C44 | H441 | 171.5° | 171.0° |
| C43 | C42 | C48 | H481 | 72.2° | 71.2° |
| C43 | C42 | C48 | H482 | 168.5° | 169.0° |
| C48 | C42 | C43 | C44 | 67.1° | 67.5° |
| C42 | C48 | C46 | H481 | 120.3° | 120.2° |
| C42 | C48 | C46 | H482 | 120.3° | 120.1° |
| C42 | C48 | C46 | N45 | 12.8° | 17.6° |
| C42 | C48 | C46 | O47 | 166.2° | 162.4° |
| C48 | C42 | C43 | H432 | 173.4° | 172.8° |
| C48 | C42 | C43 | H431 | 52.4° | 52.2° |
| C42 | C48 | H481 | H482 | 119.0° | 119.8° |
| C43 | C44 | N45 | H442 | 120.7° | 120.3° |
| C43 | C44 | N45 | H441 | 120.7° | 120.3° |
| C43 | C44 | N45 | C46 | 18.6° | 19.1° |
| C43 | C44 | N45 | C49 | 160.5° | 160.9° |
| C44 | C43 | C42 | H421 | 52.7° | 52.3° |
| C44 | C43 | H432 | H431 | 121.4° | 120.4° |
| C43 | C44 | H442 | H441 | 117.7° | 119.5° |
| C44 | N45 | C46 | C48 | 1.3° | 2.3° |
| C44 | N45 | C46 | C49 | 179.1° | 180.0° |
| C44 | N45 | C46 | O47 | 179.8° | 177.7° |
| C44 | N45 | C49 | C50 | 173.8° | 180.0° |
| C44 | N45 | C49 | C52 | 67.8° | 60.0° |
| C44 | N45 | C49 | C53 | 40.8° | 58.8° |
| N45 | C44 | C43 | H432 | 170.3° | 170.5° |
| N45 | C44 | C43 | H431 | 68.8° | 69.0° |
| N45 | C44 | H442 | H441 | 117.7° | 119.5° |
| C48 | C46 | N45 | O47 | 179.0° | 180.0° |
| C48 | C46 | N45 | C49 | 179.7° | 177.8° |
| C46 | C48 | C42 | H421 | 71.8° | 70.8° |
| C46 | C48 | H481 | H482 | 119.1° | 119.7° |
| C46 | N45 | C49 | C50 | 5.3° | 0.0° |
| C46 | N45 | C49 | C52 | 113.2° | 119.9° |
| C46 | N45 | C49 | C53 | 138.3° | 121.2° |
| C46 | N45 | C44 | H442 | 102.2° | 101.2° |
| C46 | N45 | C44 | H441 | 139.3° | 139.4° |
| N45 | C46 | C48 | H481 | 107.6° | 102.6° |
| N45 | C46 | C48 | H482 | 133.0° | 137.8° |
| O47 | C46 | N45 | C49 | 0.7° | 2.2° |
| O47 | C46 | C48 | H481 | 73.4° | 77.4° |
| O47 | C46 | C48 | H482 | 46.0° | 42.2° |
| C50 | C49 | C52 | C53 | 99.9° | 85.1° |
| C50 | C49 | C52 | N45 | 134.7° | 137.5° |
| C50 | C49 | C53 | N45 | 143.3° | 138.1° |
| C49 | C50 | C51 | H501 | 110.2° | 112.5° |
| C49 | C50 | C51 | H502 | 110.2° | 112.5° |
| C50 | C49 | C52 | C51 | 48.6° | 41.8° |
| C50 | C49 | C53 | C51 | 43.7° | 41.7° |
| C49 | C50 | C51 | C54 | 178.9° | 179.3° |
| C49 | C50 | H501 | H502 | 143.4° | 135.5° |
| C50 | C49 | C52 | H522 | 61.6° | 70.7° |
| C50 | C49 | C52 | H521 | 158.8° | 154.2° |
| C50 | C49 | C53 | H531 | 153.8° | 154.1° |
| C50 | C49 | C53 | H532 | 66.5° | 70.6° |
| C52 | C49 | C53 | N45 | 121.2° | 136.8° |
| C49 | C52 | C51 | H522 | 110.3° | 112.5° |
| C49 | C52 | C51 | H521 | 110.2° | 112.4° |
| C52 | C49 | C53 | C51 | 51.9° | 43.3° |
| C49 | C52 | C51 | C54 | 171.9° | 179.2° |
| C52 | C49 | C50 | H501 | 159.1° | 154.4° |
| C52 | C49 | C50 | H502 | 61.3° | 70.6° |
| C49 | C52 | H522 | H521 | 143.2° | 135.7° |
| C52 | C49 | C53 | H531 | 58.2° | 69.1° |
| C52 | C49 | C53 | H532 | 162.0° | 155.7° |
| C49 | C53 | C51 | H531 | 110.1° | 112.4° |
| C49 | C53 | C51 | H532 | 110.1° | 112.4° |
| C49 | C53 | C51 | C54 | 173.9° | 179.9° |
| C53 | C49 | C50 | H501 | 66.7° | 70.6° |
| C53 | C49 | C50 | H502 | 153.6° | 154.4° |
| C53 | C49 | C52 | H522 | 161.5° | 155.8° |
| C53 | C49 | C52 | H521 | 58.9° | 69.1° |
| C49 | C53 | H531 | H532 | 143.4° | 135.7° |
| N45 | C49 | C50 | C51 | 176.1° | 179.4° |
| N45 | C49 | C52 | C51 | 176.7° | 179.2° |
| N45 | C49 | C53 | C51 | 173.1° | 179.9° |
| C49 | N45 | C44 | H442 | 78.8° | 78.7° |
| C49 | N45 | C44 | H441 | 39.8° | 40.6° |
| N45 | C49 | C50 | H501 | 73.7° | 68.1° |
| N45 | C49 | C50 | H502 | 66.0° | 66.9° |
| N45 | C49 | C52 | H522 | 73.1° | 66.8° |
| N45 | C49 | C52 | H521 | 66.5° | 68.4° |
| N45 | C49 | C53 | H531 | 63.0° | 67.7° |
| N45 | C49 | C53 | H532 | 76.8° | 67.5° |
| C50 | C51 | C52 | C53 | 100.4° | 85.1° |
| C50 | C51 | C52 | C54 | 123.4° | 137.5° |
| C50 | C51 | C53 | C54 | 130.1° | 138.2° |
| C50 | C51 | C54 | C55 | 26.0° | 180.0° |
| C50 | C51 | C54 | C59 | 151.2° | 0.3° |
| C51 | C50 | H501 | H502 | 143.4° | 135.5° |
| C50 | C51 | C52 | H522 | 61.8° | 70.7° |
| C50 | C51 | C52 | H521 | 158.7° | 154.2° |
| C50 | C51 | C53 | H531 | 153.9° | 154.1° |
| C50 | C51 | C53 | H532 | 66.4° | 70.7° |
| C52 | C51 | C53 | C54 | 135.2° | 136.8° |
| C52 | C51 | C54 | C55 | 140.1° | 60.1° |
| C52 | C51 | C54 | C59 | 37.1° | 120.2° |
| C52 | C51 | C50 | H501 | 158.2° | 154.3° |
| C52 | C51 | C50 | H502 | 62.2° | 70.6° |
| C51 | C52 | H522 | H521 | 143.2° | 135.6° |
| C52 | C51 | C53 | H531 | 59.2° | 69.1° |
| C52 | C51 | C53 | H532 | 161.1° | 155.7° |
| C53 | C51 | C54 | C55 | 98.4° | 58.8° |
| C53 | C51 | C54 | C59 | 84.4° | 120.9° |
| C53 | C51 | C50 | H501 | 66.2° | 70.6° |
| C53 | C51 | C50 | H502 | 154.2° | 154.3° |
| C53 | C51 | C52 | H522 | 162.1° | 155.8° |
| C53 | C51 | C52 | H521 | 58.4° | 69.1° |
| C51 | C53 | H531 | H532 | 143.4° | 135.7° |
| C51 | C54 | C55 | C59 | 177.2° | 179.7° |
| C51 | C54 | C55 | C56 | 178.8° | 179.9° |
| C51 | C54 | C59 | C58 | 178.4° | 179.9° |
| C54 | C51 | C50 | H501 | 71.0° | 68.2° |
| C54 | C51 | C50 | H502 | 68.7° | 66.9° |
| C54 | C51 | C52 | H522 | 61.7° | 66.7° |
| C54 | C51 | C52 | H521 | 77.8° | 68.4° |
| C54 | C51 | C53 | H531 | 76.0° | 67.7° |
| C54 | C51 | C53 | H532 | 63.8° | 67.5° |
| C51 | C54 | C55 | H551 | 1.3° | 0.0° |
| C51 | C54 | C59 | H591 | 1.6° | 0.0° |
| C54 | C55 | C56 | H551 | 180.0° | 180.0° |
| C54 | C55 | C56 | N57 | 0.2° | 0.0° |
| C55 | C54 | C59 | C58 | 1.2° | 0.2° |
| C54 | C55 | C56 | H561 | 179.8° | 180.0° |
| C55 | C54 | C59 | H591 | 178.8° | 179.7° |
| C59 | C54 | C55 | C56 | 1.6° | 0.2° |
| C54 | C59 | C58 | H591 | 180.0° | 179.9° |
| C54 | C59 | C58 | N57 | 1.0° | 0.1° |
| C59 | C54 | C55 | H551 | 178.4° | 179.8° |
| C54 | C59 | C58 | H581 | 179.0° | 180.0° |
| C55 | C56 | N57 | H561 | 180.0° | 179.9° |
| C55 | C56 | N57 | C58 | 2.5° | 0.3° |
| C56 | N57 | C58 | C59 | 2.9° | 0.3° |
| C56 | N57 | C10 | H101 | 109.0° | 22.9° |
| N57 | C56 | C55 | H551 | 179.8° | 180.0° |
| C56 | N57 | C58 | H581 | 177.1° | 179.8° |
| C59 | C58 | N57 | H581 | 180.0° | 179.9° |
| C58 | N57 | C10 | H101 | 65.4° | 157.4° |
| C58 | N57 | C56 | H561 | 177.5° | 179.7° |
| N57 | C58 | C59 | H591 | 178.9° | 180.0° |
| O05 | P01 | O07 | O09 | 113.3° | 120.0° |
| O05 | P01 | O07 | O26 | 122.0° | 120.0° |
| O05 | P01 | O09 | O26 | 122.1° | 120.0° |
| O05 | P01 | O09 | P02 | 158.4° | 160.0° |
| P01 | O05 | C21 | H212 | 54.7° | 60.0° |
| P01 | O05 | C21 | H211 | 66.3° | 60.0° |
| O05 | P01 | O26 | H2 | 121.1° | 60.0° |
| O07 | P01 | O09 | O26 | 119.2° | 120.0° |
| O07 | P01 | O09 | P02 | 82.8° | 40.0° |
| O07 | P01 | O26 | H2 | 0.0° | 179.9° |
| P01 | O09 | P02 | O12 | 102.0° | 40.0° |
| P01 | O09 | P02 | O15 | 135.8° | 160.0° |
| P01 | O09 | P02 | O24 | 14.9° | 80.0° |
| O09 | P01 | O26 | H2 | 122.6° | 60.1° |
| O09 | P02 | O12 | O15 | 114.7° | 120.0° |
| O09 | P02 | O12 | O24 | 124.3° | 120.0° |
| O09 | P02 | O15 | O24 | 123.8° | 120.0° |
| P02 | O09 | P01 | O26 | 36.4° | 80.0° |
| O09 | P02 | O24 | H1 | 121.3° | 60.0° |
| O12 | P02 | O15 | O24 | 116.3° | 120.0° |
| O12 | P02 | O24 | H1 | 0.0° | 180.0° |
| P02 | O15 | C23 | H231 | 27.8° | 60.1° |
| P02 | O15 | C23 | H232 | 92.8° | 60.0° |
| O15 | P02 | O24 | H1 | 123.0° | 60.0° |
| H101 | C10 | C13 | H131 | 124.0° | 160.2° |
| H131 | C13 | C16 | H161 | 13.5° | 21.4° |
| H131 | C13 | O03 | H031 | 61.8° | 56.3° |
| H161 | C16 | C19 | H191 | 97.1° | 123.8° |
| H161 | C16 | O04 | H041 | 54.1° | 61.1° |
| H191 | C19 | C21 | H212 | 56.6° | 66.0° |
| H191 | C19 | C21 | H211 | 177.7° | 174.0° |
| H231 | C23 | C25 | H251 | 71.4° | 67.2° |
| H232 | C23 | C25 | H251 | 49.3° | 172.8° |
| H251 | C25 | C27 | H271 | 96.0° | 146.4° |
| H271 | C27 | C29 | H291 | 35.9° | 0.0° |
| H271 | C27 | O18 | H181 | 59.5° | 57.3° |
| H291 | C29 | C30 | H301 | 154.3° | 146.4° |
| H291 | C29 | O20 | H201 | 57.3° | 61.3° |
| H361 | C36 | C37 | H371 | 0.2° | 0.3° |
| H421 | C42 | C43 | H432 | 66.8° | 67.4° |
| H421 | C42 | C43 | H431 | 172.3° | 172.0° |
| H421 | C42 | C48 | H481 | 167.9° | 169.0° |
| H421 | C42 | C48 | H482 | 48.5° | 49.3° |
| H432 | C43 | C44 | H442 | 49.6° | 50.2° |
| H432 | C43 | C44 | H441 | 68.9° | 69.2° |
| H431 | C43 | C44 | H442 | 170.5° | 170.7° |
| H431 | C43 | C44 | H441 | 52.0° | 51.3° |
| H551 | C55 | C56 | H561 | 0.3° | 0.1° |
| H581 | C58 | C59 | H591 | 1.0° | 0.1° |
