8I9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C49 | C50 | sing | 1.53Å | 1.55Å | |
| C49 | C48 | sing | 1.53Å | 1.55Å | |
| C50 | C51 | sing | 1.53Å | 1.55Å | |
| C48 | C47 | sing | 1.53Å | 1.54Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C52 | C53 | sing | 1.53Å | 1.54Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| S42 | C41 | sing | 1.81Å | 1.81Å | |
| S42 | C43 | sing | 1.71Å | 1.81Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | N39 | sing | 1.47Å | 1.45Å | |
| C44 | C43 | sing | 1.51Å | 1.52Å | |
| C43 | O56 | doub | 1.21Å | 1.18Å | |
| N39 | C38 | sing | 1.35Å | 1.45Å | |
| C38 | O57 | doub | 1.21Å | 1.19Å | |
| C38 | C37 | sing | 1.51Å | 1.52Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | N35 | sing | 1.47Å | 1.45Å | |
| O58 | C34 | doub | 1.21Å | 1.19Å | |
| C34 | N35 | sing | 1.35Å | 1.45Å | |
| C34 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C32 | C29 | sing | 1.53Å | 1.53Å | |
| C32 | O33 | sing | 1.43Å | 1.40Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| O27 | C28 | sing | 1.43Å | 1.41Å | |
| O27 | P25 | sing | 1.61Å | 1.66Å | |
| O59 | P25 | doub | 1.48Å | 1.51Å | |
| N01 | C02 | sing | 1.38Å | 1.45Å | |
| P25 | O24 | sing | 1.61Å | 1.66Å | |
| P25 | O26 | sing | 1.61Å | 1.51Å | |
| N08 | C07 | sing | 1.35Å | 1.35Å | Aromatic |
| N08 | C09 | doub | 1.30Å | 1.33Å | Aromatic |
| O24 | P23 | sing | 1.61Å | 1.66Å | |
| C02 | C07 | doub | 1.40Å | 1.41Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.32Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | N10 | sing | 1.36Å | 1.33Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| C06 | N10 | sing | 1.37Å | 1.35Å | Aromatic |
| C06 | N05 | doub | 1.33Å | 1.34Å | Aromatic |
| N10 | C11 | sing | 1.46Å | 1.48Å | |
| P23 | O22 | sing | 1.61Å | 1.66Å | |
| P23 | O61 | doub | 1.48Å | 1.51Å | |
| P23 | O60 | sing | 1.61Å | 1.51Å | |
| O22 | C21 | sing | 1.43Å | 1.41Å | |
| C04 | N05 | sing | 1.32Å | 1.32Å | Aromatic |
| O62 | C11 | sing | 1.44Å | 1.54Å | |
| O62 | C20 | sing | 1.44Å | 1.62Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.54Å | 1.31Å | |
| C20 | C14 | sing | 1.54Å | 1.25Å | |
| C12 | C14 | sing | 1.55Å | 1.69Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C14 | O15 | sing | 1.43Å | 1.46Å | |
| O15 | P16 | sing | 1.61Å | 1.64Å | |
| P16 | O18 | doub | 1.48Å | 1.51Å | |
| P16 | O17 | sing | 1.61Å | 1.51Å | |
| P16 | O19 | sing | 1.61Å | 1.51Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C55 | H553 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å | |
| O26 | H3 | sing | 0.97Å | 0.95Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| O60 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C50 | C49 | C48 | 115.7° | 109.5° |
| C49 | C50 | C51 | 115.8° | 109.4° |
| C50 | C49 | H492 | 107.9° | 109.5° |
| C50 | C49 | H491 | 107.9° | 109.5° |
| C49 | C50 | H501 | 107.8° | 109.4° |
| C49 | C50 | H502 | 107.9° | 109.5° |
| C49 | C48 | C47 | 113.1° | 109.5° |
| C49 | C48 | H481 | 108.6° | 109.4° |
| C49 | C48 | H482 | 108.5° | 109.5° |
| C48 | C49 | H492 | 107.9° | 109.4° |
| C48 | C49 | H491 | 107.9° | 109.5° |
| C50 | C51 | C52 | 113.0° | 109.4° |
| C51 | C50 | H501 | 107.9° | 109.5° |
| C51 | C50 | H502 | 107.8° | 109.5° |
| C50 | C51 | H512 | 108.6° | 109.5° |
| C50 | C51 | H511 | 108.6° | 109.6° |
| C48 | C47 | C46 | 113.2° | 109.5° |
| C48 | C47 | H471 | 108.5° | 109.5° |
| C48 | C47 | H472 | 108.5° | 109.5° |
| C47 | C48 | H481 | 108.6° | 109.4° |
| C47 | C48 | H482 | 108.6° | 109.5° |
| C47 | C46 | C45 | 112.4° | 109.5° |
| C47 | C46 | H462 | 108.8° | 109.4° |
| C47 | C46 | H461 | 108.8° | 109.5° |
| C46 | C47 | H471 | 108.5° | 109.4° |
| C46 | C47 | H472 | 108.5° | 109.5° |
| C51 | C52 | C53 | 113.8° | 109.4° |
| C52 | C51 | H512 | 108.6° | 109.4° |
| C52 | C51 | H511 | 108.6° | 109.5° |
| C51 | C52 | H521 | 108.4° | 109.5° |
| C51 | C52 | H522 | 108.3° | 109.5° |
| C46 | C45 | C44 | 112.8° | 109.5° |
| C46 | C45 | H451 | 108.7° | 109.5° |
| C46 | C45 | H452 | 108.6° | 109.4° |
| C45 | C46 | H462 | 108.7° | 109.5° |
| C45 | C46 | H461 | 108.7° | 109.5° |
| C52 | C53 | C54 | 112.9° | 109.5° |
| C53 | C52 | H521 | 108.4° | 109.4° |
| C53 | C52 | H522 | 108.4° | 109.5° |
| C52 | C53 | H532 | 108.6° | 109.4° |
| C52 | C53 | H531 | 108.6° | 109.5° |
| C53 | C54 | C55 | 112.6° | 109.5° |
| C54 | C53 | H532 | 108.6° | 109.5° |
| C54 | C53 | H531 | 108.6° | 109.5° |
| C53 | C54 | H542 | 108.7° | 109.4° |
| C53 | C54 | H541 | 108.7° | 109.5° |
| C45 | C44 | C43 | 112.5° | 109.5° |
| C45 | C44 | H442 | 108.7° | 109.5° |
| C45 | C44 | H441 | 108.7° | 109.5° |
| C44 | C45 | H451 | 108.6° | 109.5° |
| C44 | C45 | H452 | 108.6° | 109.5° |
| C55 | C54 | H542 | 108.7° | 109.5° |
| C55 | C54 | H541 | 108.7° | 109.5° |
| C54 | C55 | H552 | 109.5° | 109.5° |
| C54 | C55 | H553 | 109.4° | 109.5° |
| C54 | C55 | H551 | 109.5° | 109.4° |
| C41 | S42 | C43 | 109.8° | 100.0° |
| S42 | C41 | C40 | 110.0° | 109.4° |
| S42 | C41 | H412 | 109.4° | 109.4° |
| S42 | C41 | H411 | 109.3° | 109.5° |
| S42 | C43 | C44 | 120.0° | 120.0° |
| S42 | C43 | O56 | 119.5° | 120.0° |
| C41 | C40 | N39 | 109.5° | 109.5° |
| C41 | C40 | H401 | 109.5° | 109.5° |
| C41 | C40 | H402 | 109.5° | 109.5° |
| C40 | C41 | H412 | 109.3° | 109.5° |
| C40 | C41 | H411 | 109.3° | 109.5° |
| C40 | N39 | C38 | 121.3° | 120.0° |
| N39 | C40 | H401 | 109.5° | 109.5° |
| N39 | C40 | H402 | 109.5° | 109.5° |
| C40 | N39 | H391 | 119.3° | 120.0° |
| C44 | C43 | O56 | 120.5° | 120.0° |
| C43 | C44 | H442 | 108.7° | 109.4° |
| C43 | C44 | H441 | 108.7° | 109.5° |
| N39 | C38 | O57 | 121.5° | 120.0° |
| N39 | C38 | C37 | 119.7° | 120.0° |
| C38 | N39 | H391 | 119.3° | 120.0° |
| O57 | C38 | C37 | 118.9° | 120.0° |
| C38 | C37 | C36 | 117.9° | 109.5° |
| C38 | C37 | H372 | 107.3° | 109.5° |
| C38 | C37 | H371 | 107.3° | 109.4° |
| C37 | C36 | N35 | 109.9° | 109.5° |
| C37 | C36 | H361 | 109.4° | 109.5° |
| C37 | C36 | H362 | 109.4° | 109.5° |
| C36 | C37 | H372 | 107.3° | 109.5° |
| C36 | C37 | H371 | 107.3° | 109.5° |
| C36 | N35 | C34 | 120.0° | 120.0° |
| N35 | C36 | H361 | 109.4° | 109.4° |
| N35 | C36 | H362 | 109.4° | 109.5° |
| C36 | N35 | H351 | 120.1° | 120.0° |
| O58 | C34 | N35 | 119.9° | 120.0° |
| O58 | C34 | C32 | 121.0° | 120.0° |
| N35 | C34 | C32 | 119.2° | 120.0° |
| C34 | N35 | H351 | 120.0° | 120.0° |
| C34 | C32 | C29 | 111.7° | 109.5° |
| C34 | C32 | O33 | 109.2° | 109.4° |
| C34 | C32 | H321 | 108.8° | 109.5° |
| C31 | C29 | C32 | 110.7° | 109.5° |
| C31 | C29 | C30 | 109.5° | 109.4° |
| C31 | C29 | C28 | 109.2° | 109.5° |
| C29 | C31 | H313 | 109.5° | 109.5° |
| C29 | C31 | H311 | 109.5° | 109.5° |
| C29 | C31 | H312 | 109.5° | 109.5° |
| C29 | C32 | O33 | 107.8° | 109.5° |
| C32 | C29 | C30 | 109.8° | 109.4° |
| C32 | C29 | C28 | 107.7° | 109.5° |
| C29 | C32 | H321 | 108.8° | 109.5° |
| O33 | C32 | H321 | 110.5° | 109.4° |
| C32 | O33 | H331 | 109.5° | 114.0° |
| C30 | C29 | C28 | 109.9° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C28 | O27 | 107.7° | 109.5° |
| C29 | C28 | H282 | 109.9° | 109.5° |
| C29 | C28 | H281 | 109.9° | 109.5° |
| C28 | O27 | P25 | 118.8° | 123.0° |
| O27 | C28 | H282 | 109.9° | 109.5° |
| O27 | C28 | H281 | 109.9° | 109.4° |
| O27 | P25 | O59 | 109.6° | 109.5° |
| O27 | P25 | O24 | 110.4° | 109.5° |
| O27 | P25 | O26 | 108.8° | 109.5° |
| O59 | P25 | O24 | 109.6° | 109.5° |
| O59 | P25 | O26 | 110.6° | 109.5° |
| N01 | C02 | C07 | 119.8° | 120.8° |
| N01 | C02 | N03 | 119.9° | 120.8° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| O24 | P25 | O26 | 107.8° | 109.4° |
| P25 | O24 | P23 | 121.4° | 134.0° |
| P25 | O26 | H3 | 109.5° | 114.0° |
| C07 | N08 | C09 | 108.9° | 109.4° |
| N08 | C07 | C02 | 136.3° | 134.7° |
| N08 | C07 | C06 | 106.3° | 107.2° |
| N08 | C09 | N10 | 109.2° | 110.0° |
| N08 | C09 | H091 | 125.4° | 125.0° |
| O24 | P23 | O22 | 108.1° | 109.5° |
| O24 | P23 | O61 | 108.3° | 109.5° |
| O24 | P23 | O60 | 110.5° | 109.5° |
| C07 | C02 | N03 | 120.3° | 118.5° |
| C02 | C07 | C06 | 117.5° | 118.1° |
| C02 | N03 | C04 | 120.4° | 121.2° |
| C07 | C06 | N10 | 107.5° | 106.0° |
| C07 | C06 | N05 | 118.9° | 119.1° |
| C09 | N10 | C06 | 108.1° | 107.4° |
| C09 | N10 | C11 | 127.6° | 126.3° |
| N10 | C09 | H091 | 125.4° | 125.0° |
| N03 | C04 | N05 | 120.9° | 122.5° |
| N03 | C04 | H041 | 119.5° | 118.8° |
| N10 | C06 | N05 | 133.6° | 134.9° |
| C06 | N10 | C11 | 124.3° | 126.3° |
| C06 | N05 | C04 | 122.0° | 120.6° |
| N10 | C11 | O62 | 111.3° | 110.5° |
| N10 | C11 | C12 | 110.6° | 110.4° |
| N10 | C11 | H111 | 109.3° | 110.4° |
| O22 | P23 | O61 | 109.6° | 109.5° |
| O22 | P23 | O60 | 108.8° | 109.4° |
| P23 | O22 | C21 | 120.3° | 123.0° |
| O61 | P23 | O60 | 111.6° | 109.5° |
| P23 | O60 | H4 | 109.5° | 114.0° |
| O22 | C21 | C20 | 106.4° | 109.5° |
| O22 | C21 | H212 | 110.2° | 109.5° |
| O22 | C21 | H211 | 110.2° | 109.5° |
| N05 | C04 | H041 | 119.6° | 118.7° |
| C11 | O62 | C20 | 104.2° | 105.3° |
| O62 | C11 | C12 | 105.1° | 104.8° |
| O62 | C11 | H111 | 108.6° | 110.3° |
| O62 | C20 | C21 | 110.2° | 110.5° |
| O62 | C20 | C14 | 105.5° | 104.8° |
| O62 | C20 | H201 | 107.9° | 110.4° |
| C21 | C20 | C14 | 110.9° | 110.4° |
| C21 | C20 | H201 | 108.8° | 110.3° |
| C20 | C21 | H212 | 110.2° | 109.5° |
| C20 | C21 | H211 | 110.2° | 109.4° |
| C11 | C12 | C14 | 102.7° | 104.1° |
| C11 | C12 | O13 | 112.1° | 110.5° |
| C12 | C11 | H111 | 111.9° | 110.3° |
| C11 | C12 | H121 | 113.0° | 110.5° |
| C20 | C14 | C12 | 106.6° | 104.0° |
| C20 | C14 | O15 | 109.7° | 110.6° |
| C14 | C20 | H201 | 113.5° | 110.3° |
| C20 | C14 | H141 | 114.4° | 110.5° |
| C14 | C12 | O13 | 110.1° | 110.5° |
| C12 | C14 | O15 | 107.0° | 110.5° |
| C14 | C12 | H121 | 107.7° | 110.5° |
| C12 | C14 | H141 | 107.9° | 110.5° |
| O13 | C12 | H121 | 111.0° | 110.5° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C14 | O15 | P16 | 118.8° | 123.0° |
| O15 | C14 | H141 | 110.8° | 110.6° |
| O15 | P16 | O18 | 108.6° | 109.5° |
| O15 | P16 | O17 | 109.0° | 109.5° |
| O15 | P16 | O19 | 108.0° | 109.4° |
| O18 | P16 | O17 | 110.1° | 109.5° |
| O18 | P16 | O19 | 110.3° | 109.4° |
| O17 | P16 | O19 | 110.8° | 109.5° |
| P16 | O17 | H1 | 109.5° | 114.0° |
| P16 | O19 | H2 | 109.5° | 114.0° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.4° | 109.5° |
| H303 | C30 | H302 | 109.4° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.4° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.4° | 109.4° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.4° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.4° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H492 | C49 | H491 | 109.5° | 109.4° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H532 | C53 | H531 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.4° |
| H552 | C55 | H553 | 109.5° | 109.4° |
| H552 | C55 | H551 | 109.5° | 109.5° |
| H553 | C55 | H551 | 109.4° | 109.5° |
| H011 | N01 | H012 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C50 | C49 | C48 | H492 | 120.9° | 119.9° |
| C50 | C49 | C48 | H491 | 120.9° | 120.1° |
| C49 | C50 | C51 | H501 | 120.9° | 119.9° |
| C49 | C50 | C51 | H502 | 120.9° | 120.0° |
| C50 | C49 | C48 | C47 | 133.4° | 180.0° |
| C49 | C50 | C51 | C52 | 139.0° | 180.0° |
| C50 | C49 | C48 | H481 | 106.1° | 60.1° |
| C50 | C49 | C48 | H482 | 12.8° | 59.9° |
| C50 | C49 | H492 | H491 | 117.2° | 120.0° |
| C49 | C50 | H501 | H502 | 117.1° | 120.0° |
| C49 | C50 | C51 | H512 | 18.5° | 60.1° |
| C49 | C50 | C51 | H511 | 100.5° | 60.0° |
| C48 | C49 | C50 | C51 | 44.1° | 180.0° |
| C49 | C48 | C47 | H481 | 120.6° | 119.9° |
| C49 | C48 | C47 | H482 | 120.5° | 120.1° |
| C49 | C48 | C47 | C46 | 167.9° | 180.0° |
| C49 | C48 | C47 | H471 | 47.3° | 60.0° |
| C49 | C48 | C47 | H472 | 71.6° | 59.9° |
| C49 | C48 | H481 | H482 | 118.3° | 120.0° |
| C48 | C49 | H492 | H491 | 117.1° | 120.0° |
| C48 | C49 | C50 | H501 | 76.8° | 60.1° |
| C48 | C49 | C50 | H502 | 165.0° | 60.0° |
| C50 | C51 | C52 | H512 | 120.5° | 120.0° |
| C50 | C51 | C52 | H511 | 120.5° | 120.1° |
| C50 | C51 | C52 | C53 | 146.6° | 180.0° |
| C51 | C50 | C49 | H492 | 76.8° | 60.1° |
| C51 | C50 | C49 | H491 | 165.0° | 59.9° |
| C51 | C50 | H501 | H502 | 117.1° | 120.1° |
| C50 | C51 | H512 | H511 | 118.4° | 120.1° |
| C50 | C51 | C52 | H521 | 26.0° | 60.1° |
| C50 | C51 | C52 | H522 | 92.7° | 60.0° |
| C48 | C47 | C46 | H471 | 120.6° | 120.0° |
| C48 | C47 | C46 | H472 | 120.5° | 120.1° |
| C48 | C47 | C46 | C45 | 68.8° | 180.0° |
| C48 | C47 | C46 | H462 | 170.8° | 60.0° |
| C48 | C47 | C46 | H461 | 51.6° | 59.9° |
| C48 | C47 | H471 | H472 | 118.3° | 120.0° |
| C47 | C48 | H481 | H482 | 118.4° | 120.0° |
| C47 | C48 | C49 | H492 | 12.5° | 60.1° |
| C47 | C48 | C49 | H491 | 105.7° | 59.9° |
| C47 | C46 | C45 | H462 | 120.4° | 120.0° |
| C47 | C46 | C45 | H461 | 120.4° | 120.0° |
| C47 | C46 | C45 | C44 | 173.0° | 180.0° |
| C47 | C46 | C45 | H451 | 66.5° | 60.0° |
| C47 | C46 | C45 | H452 | 52.5° | 60.0° |
| C47 | C46 | H462 | H461 | 118.7° | 120.0° |
| C46 | C47 | H471 | H472 | 118.3° | 120.0° |
| C46 | C47 | C48 | H481 | 71.6° | 60.1° |
| C46 | C47 | C48 | H482 | 47.4° | 60.0° |
| C51 | C52 | C53 | H521 | 120.6° | 120.0° |
| C51 | C52 | C53 | H522 | 120.6° | 120.0° |
| C51 | C52 | C53 | C54 | 170.0° | 180.0° |
| C52 | C51 | C50 | H501 | 100.1° | 60.1° |
| C52 | C51 | C50 | H502 | 18.1° | 60.0° |
| C52 | C51 | H512 | H511 | 118.4° | 120.0° |
| C51 | C52 | H521 | H522 | 118.0° | 120.1° |
| C51 | C52 | C53 | H532 | 69.5° | 60.0° |
| C51 | C52 | C53 | H531 | 49.5° | 60.0° |
| C46 | C45 | C44 | H451 | 120.5° | 120.1° |
| C46 | C45 | C44 | H452 | 120.5° | 120.0° |
| C46 | C45 | C44 | C43 | 121.6° | 180.0° |
| C46 | C45 | C44 | H442 | 118.0° | 60.0° |
| C46 | C45 | C44 | H441 | 1.1° | 60.0° |
| C46 | C45 | H451 | H452 | 118.5° | 120.0° |
| C45 | C46 | H462 | H461 | 118.6° | 120.0° |
| C45 | C46 | C47 | H471 | 51.8° | 60.0° |
| C45 | C46 | C47 | H472 | 170.6° | 59.9° |
| C52 | C53 | C54 | H532 | 120.5° | 120.0° |
| C52 | C53 | C54 | H531 | 120.5° | 120.0° |
| C52 | C53 | C54 | C55 | 150.9° | 180.0° |
| C53 | C52 | C51 | H512 | 92.8° | 60.0° |
| C53 | C52 | C51 | H511 | 26.1° | 60.0° |
| C53 | C52 | H521 | H522 | 118.0° | 120.0° |
| C52 | C53 | H532 | H531 | 118.4° | 120.0° |
| C52 | C53 | C54 | H542 | 30.5° | 60.0° |
| C52 | C53 | C54 | H541 | 88.6° | 59.9° |
| C53 | C54 | C55 | H542 | 120.4° | 120.0° |
| C53 | C54 | C55 | H541 | 120.5° | 120.0° |
| C54 | C53 | C52 | H521 | 49.4° | 60.0° |
| C54 | C53 | C52 | H522 | 69.4° | 60.0° |
| C54 | C53 | H532 | H531 | 118.4° | 120.0° |
| C53 | C54 | H542 | H541 | 118.6° | 119.9° |
| C53 | C54 | C55 | H552 | 180.0° | 60.0° |
| C53 | C54 | C55 | H553 | 60.0° | 180.0° |
| C53 | C54 | C55 | H551 | 60.0° | 60.0° |
| C45 | C44 | C43 | S42 | 109.9° | 180.0° |
| C45 | C44 | C43 | H442 | 120.5° | 120.0° |
| C45 | C44 | C43 | H441 | 120.4° | 120.0° |
| C45 | C44 | C43 | O56 | 70.4° | 0.0° |
| C45 | C44 | H442 | H441 | 118.6° | 120.0° |
| C44 | C45 | H451 | H452 | 118.5° | 120.0° |
| C44 | C45 | C46 | H462 | 52.6° | 60.0° |
| C44 | C45 | C46 | H461 | 66.6° | 60.0° |
| C55 | C54 | C53 | H532 | 88.6° | 60.0° |
| C55 | C54 | C53 | H531 | 30.4° | 60.0° |
| C55 | C54 | H542 | H541 | 118.6° | 120.1° |
| C54 | C55 | H552 | H553 | 120.0° | 120.0° |
| C54 | C55 | H552 | H551 | 120.0° | 120.0° |
| C54 | C55 | H553 | H551 | 120.0° | 120.0° |
| S42 | C41 | C40 | H412 | 120.1° | 119.9° |
| S42 | C41 | C40 | H411 | 120.1° | 120.0° |
| S42 | C41 | C40 | N39 | 151.3° | 180.0° |
| C41 | S42 | C43 | C44 | 166.3° | 180.0° |
| C41 | S42 | C43 | O56 | 14.0° | 0.0° |
| S42 | C41 | C40 | H401 | 31.3° | 60.0° |
| S42 | C41 | C40 | H402 | 88.7° | 60.0° |
| S42 | C41 | H412 | H411 | 119.8° | 120.0° |
| C43 | S42 | C41 | C40 | 146.8° | 180.0° |
| S42 | C43 | C44 | O56 | 179.7° | 180.0° |
| C43 | S42 | C41 | H412 | 93.2° | 60.0° |
| C43 | S42 | C41 | H411 | 26.7° | 60.0° |
| S42 | C43 | C44 | H442 | 129.6° | 60.0° |
| S42 | C43 | C44 | H441 | 10.5° | 60.0° |
| C41 | C40 | N39 | H401 | 120.0° | 120.0° |
| C41 | C40 | N39 | H402 | 120.0° | 120.0° |
| C41 | C40 | N39 | C38 | 120.5° | 180.0° |
| C41 | C40 | H401 | H402 | 120.0° | 120.0° |
| C40 | C41 | H412 | H411 | 119.7° | 120.1° |
| C41 | C40 | N39 | H391 | 59.5° | 0.0° |
| C40 | N39 | C38 | H391 | 180.0° | 180.0° |
| C40 | N39 | C38 | O57 | 0.6° | 0.0° |
| C40 | N39 | C38 | C37 | 179.6° | 180.0° |
| N39 | C40 | H401 | H402 | 120.0° | 120.0° |
| N39 | C40 | C41 | H412 | 88.6° | 60.0° |
| N39 | C40 | C41 | H411 | 31.2° | 60.0° |
| C43 | C44 | H442 | H441 | 118.7° | 120.0° |
| C43 | C44 | C45 | H451 | 1.1° | 60.0° |
| C43 | C44 | C45 | H452 | 117.9° | 60.0° |
| O56 | C43 | C44 | H442 | 50.1° | 120.0° |
| O56 | C43 | C44 | H441 | 169.2° | 120.0° |
| N39 | C38 | O57 | C37 | 179.8° | 180.0° |
| N39 | C38 | C37 | C36 | 131.5° | 180.0° |
| N39 | C38 | C37 | H372 | 10.3° | 59.9° |
| N39 | C38 | C37 | H371 | 107.3° | 60.0° |
| C38 | N39 | C40 | H401 | 0.5° | 60.0° |
| C38 | N39 | C40 | H402 | 119.5° | 59.9° |
| O57 | C38 | C37 | C36 | 48.3° | 0.0° |
| O57 | C38 | C37 | H372 | 169.5° | 120.0° |
| O57 | C38 | C37 | H371 | 72.9° | 120.0° |
| O57 | C38 | N39 | H391 | 179.5° | 180.0° |
| C38 | C37 | C36 | H372 | 121.2° | 120.0° |
| C38 | C37 | C36 | H371 | 121.2° | 120.0° |
| C38 | C37 | C36 | N35 | 146.7° | 180.0° |
| C38 | C37 | C36 | H361 | 26.6° | 60.1° |
| C38 | C37 | C36 | H362 | 93.2° | 60.0° |
| C38 | C37 | H372 | H371 | 116.2° | 119.9° |
| C37 | C38 | N39 | H391 | 0.3° | 0.0° |
| C37 | C36 | N35 | H361 | 120.1° | 119.9° |
| C37 | C36 | N35 | H362 | 120.1° | 120.0° |
| C37 | C36 | N35 | C34 | 90.5° | 180.0° |
| C37 | C36 | H361 | H362 | 119.8° | 120.0° |
| C36 | C37 | H372 | H371 | 116.2° | 120.0° |
| C37 | C36 | N35 | H351 | 89.4° | 0.0° |
| C36 | N35 | C34 | O58 | 0.5° | 4.4° |
| C36 | N35 | C34 | H351 | 180.0° | 180.0° |
| C36 | N35 | C34 | C32 | 179.8° | 175.6° |
| N35 | C36 | H361 | H362 | 119.8° | 120.0° |
| N35 | C36 | C37 | H372 | 92.1° | 60.0° |
| N35 | C36 | C37 | H371 | 25.5° | 60.0° |
| O58 | C34 | N35 | C32 | 179.3° | 180.0° |
| O58 | C34 | C32 | C29 | 67.8° | 111.8° |
| O58 | C34 | C32 | O33 | 173.0° | 8.2° |
| O58 | C34 | C32 | H321 | 52.3° | 128.1° |
| O58 | C34 | N35 | H351 | 179.5° | 175.6° |
| N35 | C34 | C32 | C29 | 112.9° | 68.2° |
| N35 | C34 | C32 | O33 | 6.3° | 171.8° |
| N35 | C34 | C32 | H321 | 127.0° | 51.9° |
| C34 | N35 | C36 | H361 | 149.4° | 60.1° |
| C34 | N35 | C36 | H362 | 29.5° | 60.0° |
| C34 | C32 | C29 | C31 | 60.1° | 174.3° |
| C34 | C32 | C29 | O33 | 120.0° | 120.0° |
| C34 | C32 | C29 | H321 | 120.1° | 120.1° |
| C34 | C32 | O33 | H321 | 119.7° | 120.0° |
| C34 | C32 | C29 | C30 | 60.9° | 65.8° |
| C34 | C32 | C29 | C28 | 179.5° | 54.2° |
| C32 | C34 | N35 | H351 | 0.2° | 4.4° |
| C34 | C32 | O33 | H331 | 180.0° | 60.0° |
| C31 | C29 | C32 | C30 | 121.0° | 119.9° |
| C31 | C29 | C32 | C28 | 119.4° | 120.1° |
| C31 | C29 | C32 | O33 | 179.9° | 54.3° |
| C31 | C29 | C30 | C28 | 119.9° | 120.0° |
| C31 | C29 | C28 | O27 | 56.2° | 60.0° |
| C31 | C29 | C28 | H282 | 63.5° | 180.0° |
| C31 | C29 | C28 | H281 | 175.9° | 60.0° |
| C31 | C29 | C30 | H303 | 180.0° | 53.7° |
| C31 | C29 | C30 | H301 | 60.0° | 66.4° |
| C31 | C29 | C30 | H302 | 60.0° | 173.6° |
| C29 | C31 | H313 | H311 | 120.0° | 120.0° |
| C29 | C31 | H313 | H312 | 120.0° | 120.1° |
| C29 | C31 | H311 | H312 | 120.0° | 120.1° |
| C31 | C29 | C32 | H321 | 60.0° | 65.7° |
| C29 | C32 | O33 | H321 | 118.7° | 120.0° |
| C32 | C29 | C30 | C28 | 118.3° | 120.0° |
| C32 | C29 | C28 | O27 | 64.1° | 180.0° |
| C32 | C29 | C28 | H282 | 176.1° | 60.0° |
| C32 | C29 | C28 | H281 | 55.6° | 60.1° |
| C32 | C29 | C30 | H303 | 58.2° | 173.6° |
| C32 | C29 | C30 | H301 | 178.2° | 53.6° |
| C32 | C29 | C30 | H302 | 61.7° | 66.5° |
| C32 | C29 | C31 | H313 | 180.0° | 176.6° |
| C32 | C29 | C31 | H311 | 60.0° | 56.6° |
| C32 | C29 | C31 | H312 | 60.0° | 63.4° |
| C29 | C32 | O33 | H331 | 58.4° | 59.9° |
| O33 | C32 | C29 | C30 | 59.1° | 174.2° |
| O33 | C32 | C29 | C28 | 60.5° | 65.8° |
| C30 | C29 | C28 | O27 | 176.3° | 60.0° |
| C30 | C29 | C28 | H282 | 56.6° | 60.0° |
| C30 | C29 | C28 | H281 | 64.0° | 180.0° |
| C29 | C30 | H303 | H301 | 120.0° | 120.1° |
| C29 | C30 | H303 | H302 | 120.0° | 119.9° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C30 | C29 | C31 | H313 | 58.8° | 63.5° |
| C30 | C29 | C31 | H311 | 178.9° | 176.6° |
| C30 | C29 | C31 | H312 | 61.2° | 56.5° |
| C30 | C29 | C32 | H321 | 179.0° | 54.3° |
| C29 | C28 | O27 | H282 | 119.7° | 120.1° |
| C29 | C28 | O27 | H281 | 119.7° | 120.0° |
| C29 | C28 | O27 | P25 | 128.4° | 180.0° |
| C29 | C28 | H282 | H281 | 120.8° | 120.0° |
| C28 | C29 | C30 | H303 | 60.1° | 66.4° |
| C28 | C29 | C30 | H301 | 59.9° | 173.6° |
| C28 | C29 | C30 | H302 | 180.0° | 53.5° |
| C28 | C29 | C31 | H313 | 61.5° | 56.5° |
| C28 | C29 | C31 | H311 | 58.5° | 63.4° |
| C28 | C29 | C31 | H312 | 178.5° | 176.5° |
| C28 | C29 | C32 | H321 | 59.4° | 174.3° |
| C28 | O27 | P25 | O59 | 150.7° | 54.9° |
| C28 | O27 | P25 | O24 | 29.8° | 175.0° |
| C28 | O27 | P25 | O26 | 88.3° | 65.0° |
| O27 | C28 | H282 | H281 | 120.8° | 120.0° |
| O27 | P25 | O59 | O24 | 121.3° | 120.1° |
| O27 | P25 | O59 | O26 | 120.0° | 120.0° |
| O27 | P25 | O24 | O26 | 118.8° | 120.0° |
| O27 | P25 | O24 | P23 | 121.5° | 165.0° |
| P25 | O27 | C28 | H282 | 111.9° | 59.9° |
| P25 | O27 | C28 | H281 | 8.7° | 60.0° |
| O27 | P25 | O26 | H3 | 120.4° | 60.0° |
| O59 | P25 | O24 | O26 | 120.4° | 120.0° |
| O59 | P25 | O24 | P23 | 117.7° | 45.0° |
| O59 | P25 | O26 | H3 | 0.0° | 179.9° |
| N01 | C02 | C07 | N08 | 0.1° | 0.2° |
| N01 | C02 | C07 | N03 | 179.9° | 179.7° |
| N01 | C02 | C07 | C06 | 179.9° | 179.7° |
| N01 | C02 | N03 | C04 | 179.8° | 179.8° |
| C02 | N01 | H011 | H012 | 120.0° | 179.9° |
| P25 | O24 | P23 | O22 | 84.9° | 160.0° |
| P25 | O24 | P23 | O61 | 156.5° | 40.0° |
| P25 | O24 | P23 | O60 | 34.0° | 80.1° |
| O24 | P25 | O26 | H3 | 119.8° | 60.0° |
| O26 | P25 | O24 | P23 | 2.7° | 75.0° |
| N08 | C07 | C02 | C06 | 180.0° | 179.9° |
| N08 | C07 | C02 | N03 | 180.0° | 179.9° |
| C07 | N08 | C09 | N10 | 0.3° | 0.0° |
| N08 | C07 | C06 | N10 | 0.0° | 0.1° |
| N08 | C07 | C06 | N05 | 179.9° | 180.0° |
| C07 | N08 | C09 | H091 | 179.8° | 180.0° |
| C09 | N08 | C07 | C02 | 179.9° | 180.0° |
| C09 | N08 | C07 | C06 | 0.2° | 0.1° |
| N08 | C09 | N10 | H091 | 180.0° | 179.9° |
| N08 | C09 | N10 | C06 | 0.2° | 0.0° |
| N08 | C09 | N10 | C11 | 179.5° | 180.0° |
| O24 | P23 | O22 | O61 | 117.8° | 120.0° |
| O24 | P23 | O22 | O60 | 120.0° | 120.0° |
| O24 | P23 | O61 | O60 | 121.8° | 120.0° |
| O24 | P23 | O22 | C21 | 114.7° | 175.0° |
| O24 | P23 | O60 | H4 | 120.6° | 60.0° |
| C07 | C02 | N03 | C04 | 0.0° | 0.1° |
| C02 | C07 | C06 | N10 | 180.0° | 180.0° |
| C02 | C07 | C06 | N05 | 0.1° | 0.0° |
| C07 | C02 | N01 | H011 | 179.9° | 0.1° |
| C07 | C02 | N01 | H012 | 60.1° | 180.0° |
| N03 | C02 | C07 | C06 | 0.0° | 0.0° |
| C02 | N03 | C04 | N05 | 0.0° | 0.1° |
| C02 | N03 | C04 | H041 | 180.0° | 180.0° |
| N03 | C02 | N01 | H011 | 0.0° | 179.6° |
| N03 | C02 | N01 | H012 | 120.0° | 0.3° |
| C07 | C06 | N10 | C09 | 0.1° | 0.0° |
| C07 | C06 | N10 | N05 | 179.9° | 179.9° |
| C07 | C06 | N10 | C11 | 179.6° | 180.0° |
| C07 | C06 | N05 | C04 | 0.1° | 0.1° |
| C09 | N10 | C06 | C11 | 179.8° | 179.9° |
| C09 | N10 | C06 | N05 | 180.0° | 180.0° |
| C09 | N10 | C11 | O62 | 45.2° | 20.5° |
| C09 | N10 | C11 | C12 | 71.1° | 94.9° |
| C09 | N10 | C11 | H111 | 165.2° | 142.8° |
| N03 | C04 | N05 | C06 | 0.0° | 0.0° |
| N03 | C04 | N05 | H041 | 180.0° | 179.9° |
| N10 | C06 | N05 | C04 | 180.0° | 180.0° |
| C06 | N10 | C11 | O62 | 135.0° | 159.6° |
| C06 | N10 | C11 | C12 | 108.6° | 85.0° |
| C06 | N10 | C09 | H091 | 179.8° | 179.9° |
| C06 | N10 | C11 | H111 | 15.1° | 37.3° |
| N05 | C06 | N10 | C11 | 0.3° | 0.1° |
| C06 | N05 | C04 | H041 | 180.0° | 179.9° |
| N10 | C11 | O62 | C12 | 119.7° | 118.9° |
| N10 | C11 | O62 | H111 | 120.4° | 122.3° |
| N10 | C11 | O62 | C20 | 143.7° | 159.4° |
| N10 | C11 | C12 | H111 | 122.2° | 122.3° |
| N10 | C11 | C12 | C14 | 156.1° | 142.9° |
| N10 | C11 | C12 | O13 | 85.7° | 98.4° |
| C11 | N10 | C09 | H091 | 0.5° | 0.0° |
| N10 | C11 | C12 | H121 | 40.5° | 24.2° |
| O22 | P23 | O61 | O60 | 120.5° | 120.0° |
| P23 | O22 | C21 | C20 | 146.8° | 180.0° |
| P23 | O22 | C21 | H212 | 27.3° | 60.0° |
| P23 | O22 | C21 | H211 | 93.6° | 60.0° |
| O22 | P23 | O60 | H4 | 121.0° | 60.0° |
| O61 | P23 | O22 | C21 | 127.5° | 55.0° |
| O61 | P23 | O60 | H4 | 0.0° | 180.0° |
| O60 | P23 | O22 | C21 | 5.3° | 65.0° |
| O22 | C21 | C20 | O62 | 51.8° | 69.5° |
| O22 | C21 | C20 | H212 | 119.5° | 120.0° |
| O22 | C21 | C20 | H211 | 119.5° | 120.0° |
| O22 | C21 | C20 | C14 | 64.7° | 175.0° |
| O22 | C21 | C20 | H201 | 169.9° | 52.8° |
| O22 | C21 | H212 | H211 | 121.4° | 120.0° |
| C11 | O62 | C20 | C21 | 116.0° | 159.4° |
| O62 | C11 | C12 | H111 | 117.6° | 118.8° |
| C11 | O62 | C20 | C14 | 3.8° | 40.4° |
| O62 | C11 | C12 | C14 | 35.9° | 24.0° |
| O62 | C11 | C12 | O13 | 154.1° | 142.6° |
| C11 | O62 | C20 | H201 | 125.4° | 78.3° |
| O62 | C11 | C12 | H121 | 79.7° | 94.7° |
| O62 | C20 | C21 | C14 | 116.4° | 115.5° |
| O62 | C20 | C21 | H201 | 118.1° | 122.3° |
| C20 | O62 | C11 | C12 | 24.0° | 40.4° |
| O62 | C20 | C14 | H201 | 118.0° | 118.8° |
| O62 | C20 | C14 | C12 | 23.9° | 23.9° |
| O62 | C20 | C14 | O15 | 91.7° | 142.6° |
| O62 | C20 | C21 | H212 | 171.3° | 170.5° |
| O62 | C20 | C21 | H211 | 67.7° | 50.5° |
| C20 | O62 | C11 | H111 | 95.9° | 78.3° |
| O62 | C20 | C14 | H141 | 143.0° | 94.7° |
| C21 | C20 | C14 | H201 | 122.8° | 122.2° |
| C21 | C20 | C14 | C12 | 95.4° | 142.9° |
| C21 | C20 | C14 | O15 | 149.0° | 98.4° |
| C20 | C21 | H212 | H211 | 121.4° | 120.0° |
| C21 | C20 | C14 | H141 | 23.7° | 24.3° |
| C11 | C12 | C14 | C20 | 41.6° | 0.0° |
| C11 | C12 | C14 | O13 | 119.5° | 118.7° |
| C11 | C12 | C14 | H121 | 119.4° | 118.7° |
| C11 | C12 | O13 | H121 | 127.3° | 122.7° |
| C11 | C12 | C14 | O15 | 75.8° | 118.7° |
| C11 | C12 | C14 | H141 | 164.9° | 118.6° |
| C11 | C12 | O13 | H131 | 180.0° | 61.4° |
| C20 | C14 | C12 | O15 | 117.4° | 118.7° |
| C20 | C14 | C12 | H141 | 123.3° | 118.6° |
| C20 | C14 | C12 | O13 | 161.1° | 118.7° |
| C20 | C14 | O15 | H141 | 127.4° | 122.7° |
| C20 | C14 | O15 | P16 | 123.7° | 120.0° |
| C14 | C20 | C21 | H212 | 54.8° | 55.0° |
| C14 | C20 | C21 | H211 | 175.8° | 65.1° |
| C20 | C14 | C12 | H121 | 77.8° | 118.6° |
| C14 | C12 | O13 | H121 | 119.1° | 122.6° |
| C12 | C14 | O15 | H141 | 117.4° | 122.7° |
| C12 | C14 | O15 | P16 | 121.1° | 125.3° |
| C12 | C14 | C20 | H201 | 141.8° | 94.9° |
| C14 | C12 | C11 | H111 | 81.7° | 94.8° |
| C14 | C12 | O13 | H131 | 66.4° | 176.1° |
| O13 | C12 | C14 | O15 | 43.8° | 0.0° |
| O13 | C12 | C11 | H111 | 36.4° | 23.9° |
| O13 | C12 | C14 | H141 | 75.6° | 122.7° |
| C14 | O15 | P16 | O18 | 67.7° | 55.0° |
| C14 | O15 | P16 | O17 | 52.2° | 175.0° |
| C14 | O15 | P16 | O19 | 172.6° | 65.0° |
| O15 | C14 | C20 | H201 | 26.3° | 23.8° |
| O15 | C14 | C12 | H121 | 164.8° | 122.7° |
| O15 | P16 | O18 | O17 | 119.3° | 120.0° |
| O15 | P16 | O18 | O19 | 118.2° | 120.0° |
| O15 | P16 | O17 | O19 | 118.7° | 120.0° |
| P16 | O15 | C14 | H141 | 3.7° | 2.6° |
| O15 | P16 | O17 | H1 | 119.1° | 179.9° |
| O15 | P16 | O19 | H2 | 118.6° | 60.0° |
| O18 | P16 | O17 | O19 | 122.2° | 120.0° |
| O18 | P16 | O17 | H1 | 0.0° | 60.0° |
| O18 | P16 | O19 | H2 | 0.0° | 180.0° |
| O17 | P16 | O19 | H2 | 122.1° | 60.0° |
| O19 | P16 | O17 | H1 | 122.2° | 60.0° |
| H201 | C20 | C21 | H212 | 70.6° | 67.2° |
| H201 | C20 | C21 | H211 | 50.4° | 172.8° |
| H201 | C20 | C14 | H141 | 99.1° | 146.5° |
| H111 | C11 | C12 | H121 | 162.6° | 146.5° |
| H121 | C12 | C14 | H141 | 45.5° | 0.0° |
| H121 | C12 | O13 | H131 | 52.7° | 61.3° |
| H303 | C30 | H301 | H302 | 120.0° | 119.9° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H321 | C32 | O33 | H331 | 60.3° | 180.0° |
| H361 | C36 | C37 | H372 | 147.8° | 60.0° |
| H361 | C36 | C37 | H371 | 94.5° | 179.9° |
| H361 | C36 | N35 | H351 | 30.6° | 120.0° |
| H362 | C36 | C37 | H372 | 28.0° | 180.0° |
| H362 | C36 | C37 | H371 | 145.6° | 60.0° |
| H362 | C36 | N35 | H351 | 150.5° | 120.0° |
| H401 | C40 | C41 | H412 | 151.4° | 60.0° |
| H401 | C40 | C41 | H411 | 88.8° | 180.0° |
| H401 | C40 | N39 | H391 | 179.5° | 120.0° |
| H402 | C40 | C41 | H412 | 31.4° | 179.9° |
| H402 | C40 | C41 | H411 | 151.2° | 60.0° |
| H402 | C40 | N39 | H391 | 60.5° | 120.0° |
| H442 | C44 | C45 | H451 | 121.5° | 179.9° |
| H442 | C44 | C45 | H452 | 2.5° | 60.0° |
| H441 | C44 | C45 | H451 | 119.4° | 60.0° |
| H441 | C44 | C45 | H452 | 121.6° | 180.0° |
| H451 | C45 | C46 | H462 | 173.0° | 180.0° |
| H451 | C45 | C46 | H461 | 53.9° | 60.0° |
| H452 | C45 | C46 | H462 | 68.0° | 60.0° |
| H452 | C45 | C46 | H461 | 172.9° | 180.0° |
| H462 | C46 | C47 | H471 | 68.7° | 180.0° |
| H462 | C46 | C47 | H472 | 50.2° | 60.1° |
| H461 | C46 | C47 | H471 | 172.2° | 60.1° |
| H461 | C46 | C47 | H472 | 68.9° | 180.0° |
| H471 | C47 | C48 | H481 | 167.9° | 180.0° |
| H471 | C47 | C48 | H482 | 73.2° | 60.0° |
| H472 | C47 | C48 | H481 | 49.0° | 60.0° |
| H472 | C47 | C48 | H482 | 167.9° | 179.9° |
| H481 | C48 | C49 | H492 | 133.0° | 180.0° |
| H481 | C48 | C49 | H491 | 14.8° | 60.0° |
| H482 | C48 | C49 | H492 | 108.1° | 60.0° |
| H482 | C48 | C49 | H491 | 133.7° | 180.0° |
| H492 | C49 | C50 | H501 | 162.2° | 180.0° |
| H492 | C49 | C50 | H502 | 44.1° | 60.0° |
| H491 | C49 | C50 | H501 | 44.0° | 60.0° |
| H491 | C49 | C50 | H502 | 74.1° | 179.9° |
| H501 | C50 | C51 | H512 | 139.4° | 180.0° |
| H501 | C50 | C51 | H511 | 20.4° | 59.9° |
| H502 | C50 | C51 | H512 | 102.4° | 59.9° |
| H502 | C50 | C51 | H511 | 138.6° | 180.0° |
| H512 | C51 | C52 | H521 | 146.5° | 180.0° |
| H512 | C51 | C52 | H522 | 27.8° | 60.0° |
| H511 | C51 | C52 | H521 | 94.5° | 60.0° |
| H511 | C51 | C52 | H522 | 146.8° | 180.0° |
| H521 | C52 | C53 | H532 | 169.9° | 180.0° |
| H521 | C52 | C53 | H531 | 71.1° | 60.0° |
| H522 | C52 | C53 | H532 | 51.1° | 60.0° |
| H522 | C52 | C53 | H531 | 170.1° | 180.0° |
| H532 | C53 | C54 | H542 | 151.0° | 179.9° |
| H532 | C53 | C54 | H541 | 31.9° | 60.0° |
| H531 | C53 | C54 | H542 | 90.0° | 60.1° |
| H531 | C53 | C54 | H541 | 150.9° | 179.9° |
| H542 | C54 | C55 | H552 | 59.5° | 60.0° |
| H542 | C54 | C55 | H553 | 179.6° | 60.0° |
| H542 | C54 | C55 | H551 | 60.5° | 180.0° |
| H541 | C54 | C55 | H552 | 59.5° | 180.0° |
| H541 | C54 | C55 | H553 | 60.5° | 60.0° |
| H541 | C54 | C55 | H551 | 179.6° | 60.0° |
| H552 | C55 | H553 | H551 | 120.0° | 120.0° |
