YUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | C41 | sing | 1.43Å | 1.37Å | |
| C41 | C37 | sing | 1.54Å | 1.56Å | |
| C41 | C40 | sing | 1.51Å | 1.48Å | |
| C37 | C38 | sing | 1.55Å | 1.58Å | |
| C40 | C01 | doub | 1.38Å | 1.54Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.49Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.54Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C35 | C33 | sing | 1.53Å | 1.58Å | |
| C38 | C39 | sing | 1.51Å | 1.48Å | |
| C39 | C04 | doub | 1.39Å | 1.55Å | Aromatic |
| O12 | C11 | sing | 1.43Å | 1.37Å | |
| C02 | C03 | doub | 1.38Å | 1.53Å | Aromatic |
| C09 | C33 | sing | 1.53Å | 1.61Å | |
| C09 | N08 | sing | 1.46Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | N08 | sing | 1.47Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.60Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
| C03 | S05 | sing | 1.76Å | 1.83Å | |
| N08 | S05 | sing | 1.66Å | 1.73Å | |
| C34 | C43 | sing | 1.53Å | 1.55Å | |
| S05 | O07 | doub | 1.42Å | 1.46Å | |
| S05 | O06 | doub | 1.42Å | 1.45Å | |
| C13 | C26 | sing | 1.53Å | 1.52Å | |
| C13 | N14 | sing | 1.46Å | 1.46Å | |
| C26 | C27 | sing | 1.51Å | 1.55Å | |
| N14 | C15 | sing | 1.35Å | 1.46Å | |
| C15 | O17 | sing | 1.35Å | 1.45Å | |
| C15 | O16 | doub | 1.22Å | 1.20Å | |
| C27 | C32 | doub | 1.38Å | 1.52Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.53Å | Aromatic |
| O17 | C18 | sing | 1.45Å | 1.44Å | |
| C32 | C31 | sing | 1.38Å | 1.52Å | Aromatic |
| O20 | C19 | sing | 1.44Å | 1.37Å | |
| O20 | C22 | sing | 1.44Å | 1.54Å | |
| C28 | C29 | doub | 1.38Å | 1.52Å | Aromatic |
| C19 | C18 | sing | 1.55Å | 1.65Å | |
| C18 | C21 | sing | 1.55Å | 1.31Å | |
| O25 | C24 | sing | 1.44Å | 1.61Å | |
| O25 | C22 | sing | 1.44Å | 1.27Å | |
| C24 | C23 | sing | 1.55Å | 1.32Å | |
| C31 | C30 | doub | 1.38Å | 1.52Å | Aromatic |
| C22 | C21 | sing | 1.55Å | 1.58Å | |
| C23 | C21 | sing | 1.55Å | 1.50Å | |
| C29 | C30 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | C41 | C37 | 111.8° | 110.3° |
| O42 | C41 | C40 | 105.8° | 110.8° |
| O42 | C41 | H411 | 112.3° | 110.3° |
| C41 | O42 | H421 | 109.5° | 114.0° |
| C37 | C41 | C40 | 106.7° | 105.2° |
| C41 | C37 | C38 | 106.0° | 102.1° |
| C41 | C37 | H371 | 110.3° | 110.5° |
| C41 | C37 | H372 | 110.3° | 111.5° |
| C37 | C41 | H411 | 109.5° | 110.3° |
| C41 | C40 | C01 | 128.9° | 130.4° |
| C41 | C40 | C39 | 109.6° | 109.7° |
| C40 | C41 | H411 | 110.5° | 109.9° |
| C37 | C38 | C39 | 105.6° | 105.1° |
| C38 | C37 | H371 | 110.3° | 110.9° |
| C38 | C37 | H372 | 110.3° | 110.8° |
| C37 | C38 | H381 | 110.4° | 110.3° |
| C37 | C38 | H382 | 110.4° | 110.3° |
| C01 | C40 | C39 | 121.5° | 119.9° |
| C40 | C01 | C02 | 119.2° | 120.2° |
| C40 | C01 | H011 | 120.4° | 119.9° |
| C40 | C39 | C38 | 110.4° | 109.8° |
| C40 | C39 | C04 | 120.3° | 119.8° |
| C01 | C02 | C03 | 118.6° | 119.9° |
| C02 | C01 | H011 | 120.4° | 119.9° |
| C01 | C02 | H021 | 120.7° | 120.1° |
| C36 | C35 | C33 | 111.6° | 109.5° |
| C36 | C35 | H351 | 109.0° | 109.5° |
| C36 | C35 | H352 | 108.9° | 109.4° |
| C35 | C36 | H363 | 109.5° | 109.5° |
| C35 | C36 | H362 | 109.5° | 109.5° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C35 | C33 | C09 | 109.8° | 109.5° |
| C35 | C33 | C34 | 110.8° | 109.4° |
| C35 | C33 | H331 | 109.7° | 109.4° |
| C33 | C35 | H351 | 108.9° | 109.5° |
| C33 | C35 | H352 | 109.0° | 109.5° |
| C38 | C39 | C04 | 129.3° | 130.4° |
| C39 | C38 | H381 | 110.4° | 110.4° |
| C39 | C38 | H382 | 110.4° | 110.3° |
| C39 | C04 | C03 | 118.4° | 120.2° |
| C39 | C04 | H041 | 120.8° | 119.8° |
| O12 | C11 | C10 | 110.6° | 109.5° |
| O12 | C11 | C13 | 109.3° | 109.5° |
| O12 | C11 | H111 | 111.2° | 109.5° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| C02 | C03 | C04 | 122.0° | 119.9° |
| C02 | C03 | S05 | 119.9° | 120.0° |
| C03 | C02 | H021 | 120.7° | 120.0° |
| C33 | C09 | N08 | 110.9° | 109.5° |
| C09 | C33 | C34 | 107.8° | 109.5° |
| C33 | C09 | H091 | 109.1° | 109.5° |
| C33 | C09 | H092 | 109.1° | 109.5° |
| C09 | C33 | H331 | 109.3° | 109.5° |
| C09 | N08 | C10 | 118.9° | 120.0° |
| C09 | N08 | S05 | 113.4° | 120.0° |
| N08 | C09 | H091 | 109.1° | 109.5° |
| N08 | C09 | H092 | 109.1° | 109.5° |
| C11 | C10 | N08 | 110.0° | 109.4° |
| C10 | C11 | C13 | 108.0° | 109.5° |
| C11 | C10 | H102 | 109.3° | 109.5° |
| C11 | C10 | H101 | 109.4° | 109.5° |
| C10 | C11 | H111 | 108.8° | 109.5° |
| C10 | N08 | S05 | 115.9° | 120.0° |
| N08 | C10 | H102 | 109.4° | 109.4° |
| N08 | C10 | H101 | 109.3° | 109.5° |
| C33 | C34 | C43 | 110.3° | 109.5° |
| C34 | C33 | H331 | 109.4° | 109.5° |
| C33 | C34 | H341 | 109.3° | 109.5° |
| C33 | C34 | H342 | 109.3° | 109.5° |
| C11 | C13 | C26 | 111.8° | 109.5° |
| C11 | C13 | N14 | 107.7° | 109.5° |
| C11 | C13 | H131 | 109.9° | 109.5° |
| C13 | C11 | H111 | 108.8° | 109.5° |
| C04 | C03 | S05 | 118.0° | 120.0° |
| C03 | C04 | H041 | 120.8° | 119.9° |
| C03 | S05 | N08 | 106.3° | 107.2° |
| C03 | S05 | O07 | 110.5° | 106.4° |
| C03 | S05 | O06 | 110.8° | 106.4° |
| N08 | S05 | O07 | 111.1° | 106.4° |
| N08 | S05 | O06 | 112.0° | 106.4° |
| C43 | C34 | H341 | 109.3° | 109.5° |
| C43 | C34 | H342 | 109.3° | 109.5° |
| C34 | C43 | H433 | 109.5° | 109.5° |
| C34 | C43 | H432 | 109.5° | 109.5° |
| C34 | C43 | H431 | 109.4° | 109.5° |
| O07 | S05 | O06 | 106.2° | 123.1° |
| C26 | C13 | N14 | 106.5° | 109.5° |
| C13 | C26 | C27 | 107.7° | 109.5° |
| C26 | C13 | H131 | 110.0° | 109.4° |
| C13 | C26 | H261 | 109.9° | 109.4° |
| C13 | C26 | H262 | 109.9° | 109.5° |
| C13 | N14 | C15 | 123.4° | 120.0° |
| N14 | C13 | H131 | 110.9° | 109.5° |
| C13 | N14 | H141 | 118.3° | 120.0° |
| C26 | C27 | C32 | 119.4° | 120.0° |
| C26 | C27 | C28 | 120.7° | 120.0° |
| C27 | C26 | H261 | 109.9° | 109.5° |
| C27 | C26 | H262 | 109.9° | 109.5° |
| N14 | C15 | O17 | 115.3° | 120.0° |
| N14 | C15 | O16 | 122.5° | 120.0° |
| C15 | N14 | H141 | 118.3° | 120.0° |
| O17 | C15 | O16 | 122.2° | 120.0° |
| C15 | O17 | C18 | 118.7° | 117.0° |
| C32 | C27 | C28 | 119.9° | 120.0° |
| C27 | C32 | C31 | 120.2° | 120.0° |
| C27 | C32 | H321 | 119.9° | 120.0° |
| C27 | C28 | C29 | 119.6° | 120.0° |
| C27 | C28 | H281 | 120.2° | 120.0° |
| O17 | C18 | C19 | 105.2° | 111.0° |
| O17 | C18 | C21 | 113.4° | 110.9° |
| O17 | C18 | H181 | 111.4° | 110.7° |
| C32 | C31 | C30 | 120.2° | 120.0° |
| C32 | C31 | H311 | 119.9° | 120.0° |
| C31 | C32 | H321 | 119.9° | 120.0° |
| C19 | O20 | C22 | 105.7° | 107.1° |
| O20 | C19 | C18 | 101.1° | 103.7° |
| O20 | C19 | H192 | 111.5° | 110.9° |
| O20 | C19 | H191 | 111.5° | 110.2° |
| O20 | C22 | O25 | 109.8° | 109.3° |
| O20 | C22 | C21 | 103.6° | 106.8° |
| O20 | C22 | H221 | 110.3° | 111.1° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | H281 | 120.2° | 120.0° |
| C28 | C29 | H291 | 119.9° | 120.0° |
| C19 | C18 | C21 | 103.9° | 102.4° |
| C19 | C18 | H181 | 108.6° | 110.8° |
| C18 | C19 | H192 | 111.5° | 110.7° |
| C18 | C19 | H191 | 111.5° | 110.6° |
| C18 | C21 | C22 | 105.7° | 104.2° |
| C18 | C21 | C23 | 112.6° | 109.2° |
| C18 | C21 | H211 | 113.4° | 112.8° |
| C21 | C18 | H181 | 113.6° | 110.9° |
| C24 | O25 | C22 | 108.2° | 107.4° |
| O25 | C24 | C23 | 109.0° | 103.7° |
| O25 | C24 | H241 | 109.6° | 110.9° |
| O25 | C24 | H242 | 109.6° | 110.3° |
| O25 | C22 | C21 | 107.8° | 107.0° |
| O25 | C22 | H221 | 114.9° | 111.1° |
| C24 | C23 | C21 | 106.6° | 102.2° |
| C23 | C24 | H241 | 109.6° | 110.6° |
| C23 | C24 | H242 | 109.6° | 110.6° |
| C24 | C23 | H232 | 110.2° | 110.8° |
| C24 | C23 | H231 | 110.2° | 110.8° |
| C31 | C30 | C29 | 119.8° | 120.0° |
| C31 | C30 | H301 | 120.1° | 120.0° |
| C30 | C31 | H311 | 119.9° | 120.0° |
| C22 | C21 | C23 | 104.9° | 104.1° |
| C22 | C21 | H211 | 109.2° | 113.0° |
| C21 | C22 | H221 | 109.7° | 111.2° |
| C23 | C21 | H211 | 110.4° | 112.8° |
| C21 | C23 | H232 | 110.2° | 110.6° |
| C21 | C23 | H231 | 110.2° | 111.2° |
| C30 | C29 | H291 | 119.9° | 120.0° |
| C29 | C30 | H301 | 120.1° | 119.9° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 110.6° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H192 | C19 | H191 | 109.5° | 110.5° |
| H232 | C23 | H231 | 109.5° | 110.9° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.4° |
| H363 | C36 | H361 | 109.4° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 110.8° |
| H381 | C38 | H382 | 109.5° | 110.3° |
| H433 | C43 | H432 | 109.5° | 109.5° |
| H433 | C43 | H431 | 109.5° | 109.4° |
| H432 | C43 | H431 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | C41 | C37 | C40 | 115.3° | 119.5° |
| O42 | C41 | C37 | H411 | 125.1° | 122.1° |
| O42 | C41 | C40 | H411 | 121.8° | 122.2° |
| O42 | C41 | C37 | C38 | 127.0° | 92.6° |
| O42 | C41 | C40 | C01 | 51.2° | 78.0° |
| O42 | C41 | C40 | C39 | 126.2° | 101.5° |
| O42 | C41 | C37 | H371 | 113.5° | 25.4° |
| O42 | C41 | C37 | H372 | 7.6° | 149.0° |
| C37 | C41 | C40 | H411 | 119.0° | 118.7° |
| C41 | C37 | C38 | H371 | 119.5° | 117.7° |
| C41 | C37 | C38 | H372 | 119.5° | 118.8° |
| C37 | C41 | C40 | C01 | 170.4° | 162.8° |
| C37 | C41 | C40 | C39 | 6.9° | 17.7° |
| C41 | C37 | C38 | C39 | 12.3° | 26.8° |
| C41 | C37 | H371 | H372 | 121.6° | 124.0° |
| C41 | C37 | C38 | H381 | 107.1° | 145.8° |
| C41 | C37 | C38 | H382 | 131.7° | 92.1° |
| C37 | C41 | O42 | H421 | 180.0° | 180.0° |
| C40 | C41 | C37 | C38 | 11.8° | 26.9° |
| C41 | C40 | C01 | C39 | 177.1° | 179.5° |
| C41 | C40 | C01 | C02 | 178.9° | 180.0° |
| C41 | C40 | C39 | C38 | 1.0° | 0.1° |
| C41 | C40 | C39 | C04 | 179.7° | 179.9° |
| C41 | C40 | C01 | H011 | 1.1° | 0.3° |
| C40 | C41 | C37 | H371 | 131.2° | 144.9° |
| C40 | C41 | C37 | H372 | 107.7° | 91.5° |
| C40 | C41 | O42 | H421 | 64.2° | 64.0° |
| C37 | C38 | C39 | C40 | 8.4° | 17.4° |
| C37 | C38 | C39 | H381 | 119.4° | 119.0° |
| C37 | C38 | C39 | H382 | 119.4° | 118.9° |
| C37 | C38 | C39 | C04 | 173.1° | 162.4° |
| C38 | C37 | H371 | H372 | 121.6° | 123.5° |
| C37 | C38 | H381 | H382 | 121.8° | 122.0° |
| C38 | C37 | C41 | H411 | 107.9° | 145.3° |
| C40 | C01 | C02 | H011 | 180.0° | 179.7° |
| C01 | C40 | C39 | C38 | 178.6° | 179.7° |
| C01 | C40 | C39 | C04 | 2.7° | 0.5° |
| C40 | C01 | C02 | C03 | 0.2° | 0.3° |
| C40 | C01 | C02 | H021 | 179.8° | 179.8° |
| C01 | C40 | C41 | H411 | 70.6° | 44.1° |
| C39 | C40 | C01 | C02 | 1.8° | 0.5° |
| C40 | C39 | C38 | C04 | 178.5° | 179.7° |
| C40 | C39 | C04 | C03 | 1.9° | 0.2° |
| C39 | C40 | C01 | H011 | 178.2° | 179.8° |
| C40 | C39 | C04 | H041 | 178.1° | 179.8° |
| C40 | C39 | C38 | H381 | 111.0° | 136.3° |
| C40 | C39 | C38 | H382 | 127.8° | 101.5° |
| C39 | C40 | C41 | H411 | 112.0° | 136.4° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.6° | 0.0° |
| C01 | C02 | C03 | S05 | 179.4° | 180.0° |
| C36 | C35 | C33 | H351 | 120.3° | 120.0° |
| C36 | C35 | C33 | H352 | 120.3° | 120.0° |
| C36 | C35 | C33 | C09 | 38.9° | 66.3° |
| C36 | C35 | C33 | C34 | 80.1° | 173.7° |
| C36 | C35 | C33 | H331 | 159.0° | 53.7° |
| C36 | C35 | H351 | H352 | 119.0° | 120.0° |
| C35 | C36 | H363 | H362 | 120.0° | 120.0° |
| C35 | C36 | H363 | H361 | 120.0° | 120.1° |
| C35 | C36 | H362 | H361 | 120.0° | 120.0° |
| C35 | C33 | C09 | C34 | 120.9° | 120.0° |
| C35 | C33 | C09 | H331 | 120.3° | 120.0° |
| C35 | C33 | C09 | N08 | 176.9° | 65.9° |
| C35 | C33 | C34 | H331 | 121.1° | 120.0° |
| C35 | C33 | C34 | C43 | 70.1° | 174.5° |
| C35 | C33 | C09 | H091 | 56.7° | 174.1° |
| C35 | C33 | C09 | H092 | 62.9° | 54.1° |
| C35 | C33 | C34 | H341 | 169.8° | 65.5° |
| C35 | C33 | C34 | H342 | 50.0° | 54.5° |
| C33 | C35 | H351 | H352 | 119.0° | 120.0° |
| C33 | C35 | C36 | H363 | 180.0° | 53.3° |
| C33 | C35 | C36 | H362 | 60.0° | 66.6° |
| C33 | C35 | C36 | H361 | 60.0° | 173.4° |
| C38 | C39 | C04 | C03 | 179.7° | 180.0° |
| C38 | C39 | C04 | H041 | 0.3° | 0.1° |
| C39 | C38 | C37 | H371 | 131.7° | 144.5° |
| C39 | C38 | C37 | H372 | 107.2° | 92.0° |
| C39 | C38 | H381 | H382 | 121.8° | 122.2° |
| C39 | C04 | C03 | C02 | 0.3° | 0.0° |
| C39 | C04 | C03 | H041 | 180.0° | 180.0° |
| C39 | C04 | C03 | S05 | 178.6° | 180.0° |
| C04 | C39 | C38 | H381 | 67.5° | 43.4° |
| C04 | C39 | C38 | H382 | 53.7° | 78.8° |
| O12 | C11 | C10 | C13 | 119.6° | 120.0° |
| O12 | C11 | C10 | H111 | 122.4° | 120.0° |
| O12 | C11 | C10 | N08 | 170.0° | 66.8° |
| O12 | C11 | C13 | H111 | 121.7° | 120.0° |
| O12 | C11 | C13 | C26 | 50.4° | 55.0° |
| O12 | C11 | C13 | N14 | 66.3° | 65.0° |
| O12 | C11 | C10 | H102 | 70.0° | 173.2° |
| O12 | C11 | C10 | H101 | 49.9° | 53.2° |
| O12 | C11 | C13 | H131 | 172.8° | 175.0° |
| C02 | C03 | C04 | S05 | 178.8° | 180.0° |
| C02 | C03 | S05 | N08 | 88.3° | 82.2° |
| C02 | C03 | S05 | O07 | 32.3° | 31.3° |
| C02 | C03 | S05 | O06 | 149.8° | 164.2° |
| C03 | C02 | C01 | H011 | 179.9° | 180.0° |
| C02 | C03 | C04 | H041 | 179.7° | 180.0° |
| C33 | C09 | N08 | H091 | 120.2° | 120.0° |
| C33 | C09 | N08 | H092 | 120.2° | 120.0° |
| C33 | C09 | N08 | C10 | 84.7° | 84.4° |
| C09 | C33 | C34 | H331 | 118.7° | 120.0° |
| C33 | C09 | N08 | S05 | 133.9° | 95.6° |
| C09 | C33 | C34 | C43 | 169.7° | 65.5° |
| C33 | C09 | H091 | H092 | 119.3° | 120.0° |
| C09 | C33 | C34 | H341 | 49.5° | 54.5° |
| C09 | C33 | C34 | H342 | 70.2° | 174.6° |
| C09 | C33 | C35 | H351 | 159.3° | 173.7° |
| C09 | C33 | C35 | H352 | 81.4° | 53.7° |
| C09 | N08 | C10 | C11 | 103.6° | 82.3° |
| C09 | N08 | C10 | S05 | 140.5° | 180.0° |
| N08 | C09 | C33 | C34 | 62.2° | 54.0° |
| C09 | N08 | S05 | C03 | 52.4° | 89.4° |
| C09 | N08 | S05 | O07 | 172.6° | 24.1° |
| C09 | N08 | S05 | O06 | 68.7° | 157.1° |
| C09 | N08 | C10 | H102 | 136.3° | 37.6° |
| C09 | N08 | C10 | H101 | 16.4° | 157.7° |
| N08 | C09 | H091 | H092 | 119.3° | 120.0° |
| N08 | C09 | C33 | H331 | 56.6° | 174.1° |
| C11 | C10 | N08 | H102 | 120.1° | 120.0° |
| C11 | C10 | N08 | H101 | 120.1° | 120.0° |
| C10 | C11 | C13 | H111 | 117.9° | 120.0° |
| C11 | C10 | N08 | S05 | 115.9° | 97.7° |
| C10 | C11 | C13 | C26 | 70.0° | 65.0° |
| C10 | C11 | C13 | N14 | 173.3° | 175.0° |
| C11 | C10 | H102 | H101 | 119.8° | 120.0° |
| C10 | C11 | C13 | H131 | 52.4° | 55.0° |
| C10 | C11 | O12 | H121 | 180.0° | 65.2° |
| N08 | C10 | C11 | C13 | 70.4° | 173.2° |
| C10 | N08 | S05 | C03 | 90.3° | 90.6° |
| C10 | N08 | S05 | O07 | 30.0° | 155.8° |
| C10 | N08 | S05 | O06 | 148.6° | 22.9° |
| N08 | C10 | H102 | H101 | 119.8° | 120.0° |
| C10 | N08 | C09 | H091 | 35.6° | 35.6° |
| C10 | N08 | C09 | H092 | 155.1° | 155.6° |
| N08 | C10 | C11 | H111 | 47.5° | 53.2° |
| C33 | C34 | C43 | H341 | 120.2° | 120.0° |
| C33 | C34 | C43 | H342 | 120.1° | 120.0° |
| C34 | C33 | C09 | H091 | 177.5° | 65.9° |
| C34 | C33 | C09 | H092 | 58.0° | 174.1° |
| C33 | C34 | H341 | H342 | 119.6° | 120.0° |
| C34 | C33 | C35 | H351 | 40.2° | 53.7° |
| C34 | C33 | C35 | H352 | 159.6° | 66.3° |
| C33 | C34 | C43 | H433 | 180.0° | 55.4° |
| C33 | C34 | C43 | H432 | 60.0° | 64.6° |
| C33 | C34 | C43 | H431 | 60.0° | 175.4° |
| C11 | C13 | C26 | N14 | 117.4° | 120.0° |
| C11 | C13 | C26 | H131 | 122.3° | 120.0° |
| C11 | C13 | N14 | H131 | 120.2° | 120.0° |
| C11 | C13 | C26 | C27 | 174.1° | 175.0° |
| C11 | C13 | N14 | C15 | 109.9° | 155.0° |
| C13 | C11 | C10 | H102 | 49.7° | 53.2° |
| C13 | C11 | C10 | H101 | 169.5° | 66.8° |
| C11 | C13 | C26 | H261 | 54.3° | 65.0° |
| C11 | C13 | C26 | H262 | 66.2° | 55.0° |
| C11 | C13 | N14 | H141 | 70.2° | 25.0° |
| C13 | C11 | O12 | H121 | 61.2° | 54.8° |
| C04 | C03 | S05 | N08 | 90.5° | 97.8° |
| C04 | C03 | S05 | O07 | 148.8° | 148.7° |
| C04 | C03 | S05 | O06 | 31.4° | 15.8° |
| C04 | C03 | C02 | H021 | 179.4° | 180.0° |
| C03 | S05 | N08 | O07 | 120.3° | 113.5° |
| C03 | S05 | N08 | O06 | 121.1° | 113.5° |
| C03 | S05 | O07 | O06 | 120.2° | 122.9° |
| S05 | C03 | C02 | H021 | 0.6° | 0.0° |
| S05 | C03 | C04 | H041 | 1.4° | 0.0° |
| N08 | S05 | O07 | O06 | 122.0° | 123.0° |
| S05 | N08 | C10 | H102 | 4.2° | 142.4° |
| S05 | N08 | C10 | H101 | 124.0° | 22.3° |
| S05 | N08 | C09 | H091 | 105.9° | 144.4° |
| S05 | N08 | C09 | H092 | 13.7° | 24.4° |
| C43 | C34 | C33 | H331 | 51.0° | 54.6° |
| C43 | C34 | H341 | H342 | 119.6° | 120.0° |
| C34 | C43 | H433 | H432 | 120.0° | 120.0° |
| C34 | C43 | H433 | H431 | 120.0° | 120.0° |
| C34 | C43 | H432 | H431 | 120.0° | 120.0° |
| C26 | C13 | N14 | H131 | 119.7° | 120.0° |
| C13 | C26 | C27 | H261 | 119.7° | 119.9° |
| C13 | C26 | C27 | H262 | 119.7° | 120.0° |
| C26 | C13 | N14 | C15 | 130.1° | 85.0° |
| C13 | C26 | C27 | C32 | 103.5° | 89.9° |
| C13 | C26 | C27 | C28 | 77.0° | 90.0° |
| C13 | C26 | H261 | H262 | 120.8° | 120.0° |
| C26 | C13 | C11 | H111 | 172.1° | 175.0° |
| C26 | C13 | N14 | H141 | 49.9° | 95.0° |
| N14 | C13 | C26 | C27 | 56.7° | 65.0° |
| C13 | N14 | C15 | H141 | 180.0° | 180.0° |
| C13 | N14 | C15 | O17 | 176.9° | 180.0° |
| C13 | N14 | C15 | O16 | 3.9° | 0.1° |
| N14 | C13 | C26 | H261 | 63.0° | 55.0° |
| N14 | C13 | C26 | H262 | 176.4° | 175.0° |
| N14 | C13 | C11 | H111 | 55.4° | 55.0° |
| C26 | C27 | C32 | C28 | 179.6° | 180.0° |
| C26 | C27 | C32 | C31 | 179.8° | 179.5° |
| C26 | C27 | C28 | C29 | 180.0° | 180.0° |
| C27 | C26 | C13 | H131 | 63.6° | 55.1° |
| C27 | C26 | H261 | H262 | 120.8° | 120.1° |
| C26 | C27 | C28 | H281 | 0.0° | 0.2° |
| C26 | C27 | C32 | H321 | 0.2° | 0.1° |
| N14 | C15 | O17 | O16 | 179.2° | 179.9° |
| N14 | C15 | O17 | C18 | 163.3° | 180.0° |
| C15 | N14 | C13 | H131 | 10.4° | 35.0° |
| C15 | O17 | C18 | C19 | 140.0° | 96.9° |
| C15 | O17 | C18 | C21 | 107.1° | 150.0° |
| C15 | O17 | C18 | H181 | 22.6° | 26.6° |
| O17 | C15 | N14 | H141 | 3.1° | 0.1° |
| O16 | C15 | O17 | C18 | 15.9° | 0.1° |
| O16 | C15 | N14 | H141 | 176.0° | 180.0° |
| C27 | C32 | C31 | H321 | 180.0° | 179.5° |
| C32 | C27 | C28 | C29 | 0.5° | 0.0° |
| C27 | C32 | C31 | C30 | 0.4° | 0.7° |
| C32 | C27 | C26 | H261 | 16.2° | 30.0° |
| C32 | C27 | C26 | H262 | 136.8° | 150.0° |
| C32 | C27 | C28 | H281 | 179.5° | 179.8° |
| C27 | C32 | C31 | H311 | 179.5° | 179.8° |
| C28 | C27 | C32 | C31 | 0.2° | 0.5° |
| C27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C28 | C27 | C26 | H261 | 163.3° | 150.1° |
| C28 | C27 | C26 | H262 | 42.8° | 30.0° |
| C27 | C28 | C29 | H291 | 179.9° | 179.7° |
| C28 | C27 | C32 | H321 | 179.8° | 180.0° |
| O17 | C18 | C19 | O20 | 72.8° | 154.5° |
| O17 | C18 | C19 | C21 | 119.5° | 118.3° |
| O17 | C18 | C19 | H181 | 119.4° | 123.4° |
| O17 | C18 | C21 | H181 | 128.6° | 123.4° |
| O17 | C18 | C21 | C22 | 80.0° | 137.6° |
| O17 | C18 | C21 | C23 | 34.0° | 26.8° |
| O17 | C18 | C21 | H211 | 160.3° | 99.5° |
| O17 | C18 | C19 | H192 | 45.8° | 86.6° |
| O17 | C18 | C19 | H191 | 168.6° | 36.3° |
| C32 | C31 | C30 | H311 | 180.0° | 179.5° |
| C32 | C31 | C30 | C29 | 0.8° | 0.5° |
| C32 | C31 | C30 | H301 | 179.2° | 179.4° |
| O20 | C19 | C18 | H192 | 118.6° | 119.0° |
| O20 | C19 | C18 | H191 | 118.6° | 118.2° |
| O20 | C19 | C18 | C21 | 46.7° | 36.1° |
| C19 | O20 | C22 | O25 | 133.1° | 87.7° |
| C19 | O20 | C22 | C21 | 18.2° | 27.8° |
| C19 | O20 | C22 | H221 | 99.2° | 149.3° |
| O20 | C19 | C18 | H181 | 167.8° | 82.1° |
| O20 | C19 | H192 | H191 | 123.9° | 122.5° |
| C22 | O20 | C19 | C18 | 36.0° | 40.4° |
| O20 | C22 | C21 | C18 | 13.0° | 3.9° |
| O20 | C22 | O25 | C24 | 119.1° | 141.0° |
| O20 | C22 | O25 | C21 | 112.3° | 115.4° |
| O20 | C22 | O25 | H221 | 125.1° | 123.0° |
| O20 | C22 | C21 | H221 | 117.8° | 121.4° |
| O20 | C22 | C21 | C23 | 132.3° | 118.3° |
| O20 | C22 | C21 | H211 | 109.4° | 119.0° |
| C22 | O20 | C19 | H192 | 154.6° | 159.2° |
| C22 | O20 | C19 | H191 | 82.6° | 78.1° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | H301 | 179.5° | 179.9° |
| C19 | C18 | C21 | H181 | 117.8° | 118.2° |
| C19 | C18 | C21 | C22 | 33.7° | 19.1° |
| C19 | C18 | C21 | C23 | 147.7° | 91.6° |
| C19 | C18 | C21 | H211 | 86.0° | 142.1° |
| C18 | C19 | H192 | H191 | 123.9° | 122.9° |
| C18 | C21 | C22 | O25 | 103.4° | 113.2° |
| C18 | C21 | C23 | C24 | 95.5° | 131.9° |
| C18 | C21 | C22 | C23 | 119.3° | 114.5° |
| C18 | C21 | C22 | H211 | 122.4° | 122.8° |
| C18 | C21 | C23 | H211 | 127.9° | 126.3° |
| C18 | C21 | C22 | H221 | 130.8° | 125.3° |
| C21 | C18 | C19 | H192 | 165.3° | 155.1° |
| C21 | C18 | C19 | H191 | 71.9° | 82.1° |
| C18 | C21 | C23 | H232 | 145.0° | 14.0° |
| C18 | C21 | C23 | H231 | 24.1° | 109.8° |
| O25 | C24 | C23 | H241 | 120.0° | 118.9° |
| O25 | C24 | C23 | H242 | 119.9° | 118.2° |
| C24 | O25 | C22 | C21 | 6.9° | 25.7° |
| O25 | C24 | C23 | C21 | 15.5° | 36.9° |
| C24 | O25 | C22 | H221 | 115.8° | 95.9° |
| O25 | C24 | H241 | H242 | 120.2° | 122.6° |
| O25 | C24 | C23 | H232 | 104.1° | 80.9° |
| O25 | C24 | C23 | H231 | 135.0° | 155.4° |
| C22 | O25 | C24 | C23 | 5.5° | 39.5° |
| O25 | C22 | C21 | H221 | 125.8° | 121.5° |
| O25 | C22 | C21 | C23 | 15.9° | 1.3° |
| O25 | C22 | C21 | H211 | 134.2° | 124.0° |
| C22 | O25 | C24 | H241 | 125.4° | 158.3° |
| C22 | O25 | C24 | H242 | 114.5° | 78.9° |
| C24 | C23 | C21 | C22 | 19.0° | 21.1° |
| C24 | C23 | C21 | H232 | 119.5° | 118.0° |
| C24 | C23 | C21 | H231 | 119.6° | 118.3° |
| C24 | C23 | C21 | H211 | 136.6° | 101.7° |
| C23 | C24 | H241 | H242 | 120.2° | 122.9° |
| C24 | C23 | H232 | H231 | 121.3° | 123.6° |
| C31 | C30 | C29 | H301 | 180.0° | 179.9° |
| C31 | C30 | C29 | H291 | 179.5° | 180.0° |
| C30 | C31 | C32 | H321 | 179.6° | 179.7° |
| C22 | C21 | C23 | H211 | 117.6° | 122.9° |
| C22 | C21 | C18 | H181 | 151.5° | 99.1° |
| C22 | C21 | C23 | H232 | 100.5° | 96.9° |
| C22 | C21 | C23 | H231 | 138.6° | 139.4° |
| C23 | C21 | C22 | H221 | 109.9° | 120.3° |
| C21 | C23 | C24 | H241 | 135.4° | 155.8° |
| C21 | C23 | C24 | H242 | 104.5° | 81.3° |
| C23 | C21 | C18 | H181 | 94.5° | 150.2° |
| C21 | C23 | H232 | H231 | 121.3° | 123.9° |
| C30 | C29 | C28 | H281 | 179.9° | 179.9° |
| C29 | C30 | C31 | H311 | 179.2° | 179.9° |
| H102 | C10 | C11 | H111 | 167.6° | 66.8° |
| H101 | C10 | C11 | H111 | 72.5° | 173.2° |
| H131 | C13 | C26 | H261 | 176.7° | 175.0° |
| H131 | C13 | C26 | H262 | 56.1° | 65.0° |
| H131 | C13 | C11 | H111 | 65.5° | 65.0° |
| H131 | C13 | N14 | H141 | 169.6° | 145.0° |
| H211 | C21 | C22 | H221 | 8.4° | 2.5° |
| H211 | C21 | C18 | H181 | 31.8° | 23.9° |
| H211 | C21 | C23 | H232 | 17.1° | 140.3° |
| H211 | C21 | C23 | H231 | 103.8° | 16.6° |
| H241 | C24 | C23 | H232 | 15.9° | 38.0° |
| H241 | C24 | C23 | H231 | 105.0° | 85.6° |
| H242 | C24 | C23 | H232 | 136.0° | 160.9° |
| H242 | C24 | C23 | H231 | 15.1° | 37.2° |
| H281 | C28 | C29 | H291 | 0.1° | 0.1° |
| H011 | C01 | C02 | H021 | 0.1° | 0.0° |
| H091 | C09 | C33 | H331 | 63.7° | 54.1° |
| H092 | C09 | C33 | H331 | 176.8° | 65.9° |
| H111 | C11 | O12 | H121 | 59.0° | 174.8° |
| H181 | C18 | C19 | H192 | 73.6° | 36.9° |
| H181 | C18 | C19 | H191 | 49.2° | 159.7° |
| H291 | C29 | C30 | H301 | 0.5° | 0.0° |
| H301 | C30 | C31 | H311 | 0.8° | 0.0° |
| H311 | C31 | C32 | H321 | 0.4° | 0.3° |
| H331 | C33 | C34 | H341 | 69.2° | 174.6° |
| H331 | C33 | C34 | H342 | 171.1° | 65.4° |
| H331 | C33 | C35 | H351 | 80.7° | 66.3° |
| H331 | C33 | C35 | H352 | 38.7° | 173.7° |
| H341 | C34 | C43 | H433 | 59.8° | 175.4° |
| H341 | C34 | C43 | H432 | 179.8° | 55.4° |
| H341 | C34 | C43 | H431 | 60.2° | 64.6° |
| H342 | C34 | C43 | H433 | 59.9° | 64.6° |
| H342 | C34 | C43 | H432 | 60.1° | 175.4° |
| H342 | C34 | C43 | H431 | 179.9° | 55.4° |
| H351 | C35 | C36 | H363 | 59.7° | 173.4° |
| H351 | C35 | C36 | H362 | 60.3° | 53.5° |
| H351 | C35 | C36 | H361 | 179.7° | 66.6° |
| H352 | C35 | C36 | H363 | 59.7° | 66.7° |
| H352 | C35 | C36 | H362 | 179.7° | 173.4° |
| H352 | C35 | C36 | H361 | 60.3° | 53.4° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
| H371 | C37 | C38 | H381 | 12.3° | 96.5° |
| H371 | C37 | C38 | H382 | 108.9° | 25.6° |
| H371 | C37 | C41 | H411 | 11.6° | 96.7° |
| H372 | C37 | C38 | H381 | 133.4° | 27.0° |
| H372 | C37 | C38 | H382 | 12.2° | 149.0° |
| H372 | C37 | C41 | H411 | 132.7° | 26.9° |
| H411 | C41 | O42 | H421 | 56.5° | 57.9° |
| H433 | C43 | H432 | H431 | 120.0° | 119.9° |
