YUJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C40 | sing | 1.43Å | 1.37Å | |
| C40 | C36 | sing | 1.54Å | 1.49Å | |
| C40 | C39 | sing | 1.51Å | 1.53Å | |
| C36 | C37 | sing | 1.55Å | 1.56Å | |
| C39 | C01 | doub | 1.38Å | 1.52Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.50Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.38Å | 1.51Å | Aromatic |
| C37 | C38 | sing | 1.51Å | 1.47Å | |
| C38 | C04 | doub | 1.38Å | 1.50Å | Aromatic |
| O12 | C11 | sing | 1.43Å | 1.40Å | |
| C33 | C09 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | doub | 1.38Å | 1.51Å | Aromatic |
| C09 | N08 | sing | 1.46Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N08 | sing | 1.47Å | 1.46Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.38Å | 1.50Å | Aromatic |
| C03 | S05 | sing | 1.76Å | 1.77Å | |
| N08 | S05 | sing | 1.66Å | 1.66Å | |
| S05 | O07 | doub | 1.42Å | 1.44Å | |
| S05 | O06 | doub | 1.42Å | 1.46Å | |
| C13 | C26 | sing | 1.53Å | 1.54Å | |
| C13 | N14 | sing | 1.47Å | 1.43Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| N14 | C15 | sing | 1.35Å | 1.44Å | |
| C27 | C28 | doub | 1.38Å | 1.50Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.52Å | Aromatic |
| C15 | O17 | sing | 1.35Å | 1.39Å | |
| C15 | O16 | doub | 1.22Å | 1.19Å | |
| O17 | C18 | sing | 1.45Å | 1.49Å | |
| C28 | C29 | sing | 1.38Å | 1.50Å | Aromatic |
| O20 | C19 | sing | 1.46Å | 1.52Å | |
| O20 | C22 | sing | 1.43Å | 1.50Å | |
| C19 | C18 | sing | 1.55Å | 1.23Å | |
| C32 | C31 | doub | 1.38Å | 1.52Å | Aromatic |
| C18 | C21 | sing | 1.55Å | 1.62Å | |
| C24 | O25 | sing | 1.44Å | 1.29Å | |
| C24 | C23 | sing | 1.54Å | 1.51Å | |
| O25 | C22 | sing | 1.44Å | 1.65Å | |
| C29 | C30 | doub | 1.38Å | 1.50Å | Aromatic |
| C22 | C21 | sing | 1.55Å | 1.25Å | |
| C21 | C23 | sing | 1.54Å | 1.58Å | |
| C31 | C30 | sing | 1.38Å | 1.51Å | 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 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | 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 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | 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 | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O41 | H411 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C40 | C36 | 111.7° | 110.3° |
| O41 | C40 | C39 | 100.1° | 110.7° |
| O41 | C40 | H401 | 113.8° | 110.3° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| C36 | C40 | C39 | 107.6° | 105.2° |
| C40 | C36 | C37 | 108.3° | 102.2° |
| C40 | C36 | H362 | 109.8° | 110.5° |
| C40 | C36 | H361 | 109.8° | 111.5° |
| C36 | C40 | H401 | 111.8° | 110.3° |
| C40 | C39 | C01 | 131.4° | 130.4° |
| C40 | C39 | C38 | 107.0° | 109.7° |
| C39 | C40 | H401 | 111.2° | 109.9° |
| C36 | C37 | C38 | 105.9° | 105.1° |
| C37 | C36 | H362 | 109.8° | 110.8° |
| C37 | C36 | H361 | 109.8° | 110.8° |
| C36 | C37 | H372 | 110.4° | 110.3° |
| C36 | C37 | H371 | 110.3° | 110.3° |
| C01 | C39 | C38 | 121.5° | 119.9° |
| C39 | C01 | C02 | 120.3° | 120.2° |
| C39 | C01 | H011 | 119.8° | 119.9° |
| C39 | C38 | C37 | 111.0° | 109.8° |
| C39 | C38 | C04 | 118.7° | 119.8° |
| C34 | C33 | C09 | 109.7° | 109.4° |
| C34 | C33 | C35 | 109.4° | 109.5° |
| C34 | C33 | H331 | 109.3° | 109.5° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C33 | C34 | H343 | 109.4° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C01 | C02 | C03 | 116.7° | 120.0° |
| C02 | C01 | H011 | 119.9° | 119.9° |
| C01 | C02 | H021 | 121.7° | 120.0° |
| C37 | C38 | C04 | 130.3° | 130.4° |
| C38 | C37 | H372 | 110.4° | 110.4° |
| C38 | C37 | H371 | 110.3° | 110.3° |
| C38 | C04 | C03 | 119.8° | 120.2° |
| C38 | C04 | H041 | 120.1° | 119.9° |
| O12 | C11 | C10 | 112.3° | 109.5° |
| O12 | C11 | C13 | 107.6° | 109.5° |
| O12 | C11 | H111 | 110.9° | 109.5° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| C09 | C33 | C35 | 109.9° | 109.5° |
| C33 | C09 | N08 | 111.4° | 109.5° |
| C33 | C09 | H091 | 109.0° | 109.5° |
| C33 | C09 | H092 | 109.0° | 109.5° |
| C09 | C33 | H331 | 109.3° | 109.5° |
| C35 | C33 | H331 | 109.3° | 109.5° |
| C33 | C35 | H352 | 109.5° | 109.5° |
| C33 | C35 | H351 | 109.4° | 109.5° |
| C33 | C35 | H353 | 109.5° | 109.5° |
| C02 | C03 | C04 | 123.0° | 119.9° |
| C02 | C03 | S05 | 121.3° | 120.0° |
| C03 | C02 | H021 | 121.6° | 120.0° |
| C09 | N08 | C10 | 124.4° | 120.0° |
| C09 | N08 | S05 | 112.0° | 120.0° |
| N08 | C09 | H091 | 109.0° | 109.5° |
| N08 | C09 | H092 | 109.0° | 109.5° |
| C11 | C10 | N08 | 111.8° | 109.5° |
| C10 | C11 | C13 | 107.8° | 109.5° |
| C11 | C10 | H102 | 108.9° | 109.5° |
| C11 | C10 | H101 | 108.9° | 109.5° |
| C10 | C11 | H111 | 109.1° | 109.5° |
| C10 | N08 | S05 | 114.6° | 120.0° |
| N08 | C10 | H102 | 108.9° | 109.5° |
| N08 | C10 | H101 | 108.9° | 109.5° |
| C11 | C13 | C26 | 110.7° | 109.5° |
| C11 | C13 | N14 | 109.0° | 109.5° |
| C11 | C13 | H131 | 110.4° | 109.5° |
| C13 | C11 | H111 | 109.1° | 109.5° |
| C04 | C03 | S05 | 115.7° | 120.0° |
| C03 | C04 | H041 | 120.1° | 119.9° |
| C03 | S05 | N08 | 106.8° | 107.2° |
| C03 | S05 | O07 | 106.4° | 106.4° |
| C03 | S05 | O06 | 110.1° | 106.4° |
| N08 | S05 | O07 | 108.3° | 106.4° |
| N08 | S05 | O06 | 108.4° | 106.4° |
| O07 | S05 | O06 | 116.4° | 123.2° |
| C26 | C13 | N14 | 104.5° | 109.5° |
| C13 | C26 | C27 | 108.1° | 109.5° |
| C26 | C13 | H131 | 110.2° | 109.5° |
| C13 | C26 | H261 | 109.8° | 109.5° |
| C13 | C26 | H262 | 109.8° | 109.5° |
| C13 | N14 | C15 | 121.6° | 120.0° |
| N14 | C13 | H131 | 111.8° | 109.5° |
| C13 | N14 | H141 | 119.2° | 120.0° |
| C26 | C27 | C28 | 117.0° | 120.0° |
| C26 | C27 | C32 | 123.2° | 120.0° |
| C27 | C26 | H261 | 109.8° | 109.5° |
| C27 | C26 | H262 | 109.8° | 109.5° |
| N14 | C15 | O17 | 110.7° | 120.0° |
| N14 | C15 | O16 | 123.1° | 120.0° |
| C15 | N14 | H141 | 119.3° | 120.0° |
| C28 | C27 | C32 | 119.8° | 119.9° |
| C27 | C28 | C29 | 120.5° | 120.0° |
| C27 | C28 | H281 | 119.8° | 120.0° |
| C27 | C32 | C31 | 119.4° | 120.0° |
| C27 | C32 | H321 | 120.3° | 119.9° |
| O17 | C15 | O16 | 126.2° | 120.0° |
| C15 | O17 | C18 | 120.1° | 117.0° |
| O17 | C18 | C19 | 111.3° | 111.1° |
| O17 | C18 | C21 | 104.3° | 111.1° |
| O17 | C18 | H181 | 111.4° | 111.0° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | H281 | 119.8° | 120.0° |
| C28 | C29 | H291 | 119.9° | 120.0° |
| C19 | O20 | C22 | 101.0° | 110.0° |
| O20 | C19 | C18 | 106.2° | 105.4° |
| O20 | C19 | H191 | 110.3° | 108.9° |
| O20 | C19 | H192 | 110.3° | 111.5° |
| O20 | C22 | O25 | 109.1° | 109.1° |
| O20 | C22 | C21 | 109.4° | 107.1° |
| O20 | C22 | H221 | 109.4° | 111.8° |
| C19 | C18 | C21 | 103.1° | 101.0° |
| C19 | C18 | H181 | 116.2° | 111.1° |
| C18 | C19 | H191 | 110.3° | 110.2° |
| C18 | C19 | H192 | 110.3° | 110.3° |
| C32 | C31 | C30 | 120.2° | 120.0° |
| C32 | C31 | H311 | 119.9° | 120.0° |
| C31 | C32 | H321 | 120.3° | 120.0° |
| C18 | C21 | C22 | 105.8° | 103.0° |
| C18 | C21 | C23 | 112.9° | 109.1° |
| C18 | C21 | H211 | 107.9° | 113.2° |
| C21 | C18 | H181 | 109.5° | 111.1° |
| O25 | C24 | C23 | 108.2° | 104.8° |
| C24 | O25 | C22 | 106.1° | 106.1° |
| O25 | C24 | H241 | 109.8° | 110.4° |
| O25 | C24 | H242 | 109.8° | 110.3° |
| C24 | C23 | C21 | 101.7° | 104.2° |
| C23 | C24 | H241 | 109.8° | 110.4° |
| C23 | C24 | H242 | 109.8° | 110.4° |
| C24 | C23 | H232 | 111.4° | 110.4° |
| C24 | C23 | H231 | 111.4° | 110.5° |
| O25 | C22 | C21 | 107.7° | 104.9° |
| O25 | C22 | H221 | 107.6° | 111.8° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C30 | C29 | H291 | 119.9° | 120.0° |
| C29 | C30 | H301 | 120.1° | 120.0° |
| C22 | C21 | C23 | 108.4° | 104.4° |
| C22 | C21 | H211 | 113.5° | 113.4° |
| C21 | C22 | H221 | 113.5° | 111.8° |
| C23 | C21 | H211 | 108.4° | 113.0° |
| C21 | C23 | H232 | 111.4° | 110.5° |
| C21 | C23 | H231 | 111.4° | 110.5° |
| C31 | C30 | H301 | 120.0° | 120.0° |
| C30 | C31 | H311 | 119.9° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 110.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 110.3° |
| H232 | C23 | H231 | 109.5° | 110.6° |
| H342 | C34 | H343 | 109.5° | 109.4° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H343 | C34 | H341 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 110.7° |
| H372 | C37 | H371 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C40 | C36 | C39 | 108.9° | 119.4° |
| O41 | C40 | C36 | H401 | 128.8° | 122.1° |
| O41 | C40 | C39 | H401 | 120.5° | 122.1° |
| O41 | C40 | C36 | C37 | 113.0° | 92.5° |
| O41 | C40 | C39 | C01 | 58.2° | 78.0° |
| O41 | C40 | C39 | C38 | 117.9° | 101.5° |
| O41 | C40 | C36 | H362 | 127.2° | 25.4° |
| O41 | C40 | C36 | H361 | 6.8° | 149.0° |
| C36 | C40 | C39 | H401 | 122.7° | 118.7° |
| C40 | C36 | C37 | H362 | 119.8° | 117.8° |
| C40 | C36 | C37 | H361 | 119.8° | 118.9° |
| C36 | C40 | C39 | C01 | 175.0° | 162.8° |
| C36 | C40 | C39 | C38 | 1.1° | 17.7° |
| C40 | C36 | C37 | C38 | 5.5° | 26.8° |
| C40 | C36 | H362 | H361 | 120.6° | 124.1° |
| C40 | C36 | C37 | H372 | 113.9° | 145.7° |
| C40 | C36 | C37 | H371 | 125.0° | 92.1° |
| C36 | C40 | O41 | H411 | 180.0° | 180.0° |
| C39 | C40 | C36 | C37 | 4.1° | 26.9° |
| C40 | C39 | C01 | C38 | 175.6° | 179.5° |
| C40 | C39 | C01 | C02 | 177.2° | 180.0° |
| C40 | C39 | C38 | C37 | 2.5° | 0.1° |
| C40 | C39 | C38 | C04 | 179.8° | 179.9° |
| C40 | C39 | C01 | H011 | 2.8° | 0.3° |
| C39 | C40 | C36 | H362 | 123.9° | 144.9° |
| C39 | C40 | C36 | H361 | 115.7° | 91.5° |
| C39 | C40 | O41 | H411 | 66.4° | 64.0° |
| C36 | C37 | C38 | C39 | 4.9° | 17.4° |
| C36 | C37 | C38 | H372 | 119.5° | 118.9° |
| C36 | C37 | C38 | H371 | 119.4° | 118.9° |
| C36 | C37 | C38 | C04 | 177.7° | 162.3° |
| C37 | C36 | H362 | H361 | 120.6° | 123.4° |
| C36 | C37 | H372 | H371 | 121.6° | 122.2° |
| C37 | C36 | C40 | H401 | 118.3° | 145.3° |
| C39 | C01 | C02 | H011 | 180.0° | 179.7° |
| C01 | C39 | C38 | C37 | 179.1° | 179.7° |
| C01 | C39 | C38 | C04 | 3.2° | 0.5° |
| C39 | C01 | C02 | C03 | 0.2° | 0.3° |
| C39 | C01 | C02 | H021 | 179.8° | 179.8° |
| C01 | C39 | C40 | H401 | 62.3° | 44.1° |
| C38 | C39 | C01 | C02 | 1.6° | 0.6° |
| C39 | C38 | C37 | C04 | 177.3° | 179.7° |
| C39 | C38 | C04 | C03 | 3.1° | 0.3° |
| C38 | C39 | C01 | H011 | 178.5° | 179.7° |
| C39 | C38 | C04 | H041 | 176.9° | 179.8° |
| C39 | C38 | C37 | H372 | 114.5° | 136.3° |
| C39 | C38 | C37 | H371 | 124.4° | 101.5° |
| C38 | C39 | C40 | H401 | 121.6° | 136.4° |
| C34 | C33 | C09 | C35 | 120.3° | 120.0° |
| C34 | C33 | C09 | H331 | 119.8° | 120.0° |
| C34 | C33 | C35 | H331 | 119.6° | 120.1° |
| C34 | C33 | C09 | N08 | 176.8° | 63.1° |
| C34 | C33 | C09 | H091 | 56.5° | 176.9° |
| C34 | C33 | C09 | H092 | 62.9° | 56.9° |
| C33 | C34 | H342 | H343 | 120.0° | 120.0° |
| C33 | C34 | H342 | H341 | 120.0° | 120.1° |
| C33 | C34 | H343 | H341 | 120.0° | 120.0° |
| C34 | C33 | C35 | H352 | 180.0° | 179.9° |
| C34 | C33 | C35 | H351 | 60.0° | 60.1° |
| C34 | C33 | C35 | H353 | 60.0° | 60.0° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.1° |
| C01 | C02 | C03 | S05 | 179.0° | 179.9° |
| C37 | C38 | C04 | C03 | 179.8° | 180.0° |
| C37 | C38 | C04 | H041 | 0.2° | 0.1° |
| C38 | C37 | C36 | H362 | 125.3° | 144.6° |
| C38 | C37 | C36 | H361 | 114.2° | 92.1° |
| C38 | C37 | H372 | H371 | 121.6° | 122.2° |
| C38 | C04 | C03 | C02 | 1.4° | 0.1° |
| C38 | C04 | C03 | H041 | 180.0° | 179.9° |
| C38 | C04 | C03 | S05 | 179.3° | 180.0° |
| C04 | C38 | C37 | H372 | 62.8° | 43.4° |
| C04 | C38 | C37 | H371 | 58.3° | 78.8° |
| O12 | C11 | C10 | C13 | 118.3° | 120.0° |
| O12 | C11 | C10 | H111 | 123.3° | 120.0° |
| O12 | C11 | C10 | N08 | 166.9° | 65.8° |
| O12 | C11 | C13 | H111 | 120.4° | 120.0° |
| O12 | C11 | C13 | C26 | 48.8° | 55.0° |
| O12 | C11 | C13 | N14 | 65.7° | 65.0° |
| O12 | C11 | C10 | H102 | 72.7° | 174.2° |
| O12 | C11 | C10 | H101 | 46.6° | 54.2° |
| O12 | C11 | C13 | H131 | 171.1° | 175.0° |
| C09 | C33 | C35 | H331 | 119.9° | 120.0° |
| C33 | C09 | N08 | H091 | 120.3° | 120.0° |
| C33 | C09 | N08 | H092 | 120.3° | 120.0° |
| C33 | C09 | N08 | C10 | 73.0° | 86.4° |
| C33 | C09 | N08 | S05 | 141.8° | 93.6° |
| C33 | C09 | H091 | H092 | 119.2° | 120.0° |
| C09 | C33 | C34 | H342 | 180.0° | 172.9° |
| C09 | C33 | C34 | H343 | 60.0° | 67.1° |
| C09 | C33 | C34 | H341 | 60.0° | 52.9° |
| C09 | C33 | C35 | H352 | 59.5° | 60.0° |
| C09 | C33 | C35 | H351 | 60.5° | 180.0° |
| C09 | C33 | C35 | H353 | 179.5° | 60.0° |
| C35 | C33 | C09 | N08 | 62.9° | 176.9° |
| C35 | C33 | C09 | H091 | 176.8° | 56.9° |
| C35 | C33 | C09 | H092 | 57.4° | 63.1° |
| C35 | C33 | C34 | H342 | 59.4° | 53.0° |
| C35 | C33 | C34 | H343 | 60.6° | 172.9° |
| C35 | C33 | C34 | H341 | 179.4° | 67.1° |
| C33 | C35 | H352 | H351 | 120.0° | 120.0° |
| C33 | C35 | H352 | H353 | 120.0° | 120.0° |
| C33 | C35 | H351 | H353 | 120.0° | 120.0° |
| C02 | C03 | C04 | S05 | 179.3° | 180.0° |
| C02 | C03 | S05 | N08 | 84.7° | 95.5° |
| C02 | C03 | S05 | O07 | 30.8° | 18.1° |
| C02 | C03 | S05 | O06 | 157.8° | 151.0° |
| C03 | C02 | C01 | H011 | 179.8° | 180.0° |
| C02 | C03 | C04 | H041 | 178.6° | 180.0° |
| C09 | N08 | C10 | C11 | 98.7° | 85.8° |
| C09 | N08 | C10 | S05 | 144.5° | 180.0° |
| C09 | N08 | S05 | C03 | 59.0° | 85.8° |
| C09 | N08 | S05 | O07 | 173.2° | 27.8° |
| C09 | N08 | S05 | O06 | 59.6° | 160.7° |
| C09 | N08 | C10 | H102 | 140.9° | 154.2° |
| C09 | N08 | C10 | H101 | 21.6° | 34.2° |
| N08 | C09 | H091 | H092 | 119.1° | 120.0° |
| N08 | C09 | C33 | H331 | 57.0° | 56.9° |
| C11 | C10 | N08 | H102 | 120.3° | 120.0° |
| C11 | C10 | N08 | H101 | 120.3° | 120.0° |
| C10 | C11 | C13 | H111 | 118.3° | 120.0° |
| C11 | C10 | N08 | S05 | 116.8° | 94.3° |
| C10 | C11 | C13 | C26 | 72.5° | 65.0° |
| C10 | C11 | C13 | N14 | 173.0° | 175.0° |
| C11 | C10 | H102 | H101 | 118.9° | 120.0° |
| C10 | C11 | C13 | H131 | 49.9° | 55.0° |
| C10 | C11 | O12 | H121 | 180.0° | 63.0° |
| N08 | C10 | C11 | C13 | 74.8° | 174.2° |
| C10 | N08 | S05 | C03 | 89.9° | 94.2° |
| C10 | N08 | S05 | O07 | 24.3° | 152.3° |
| C10 | N08 | S05 | O06 | 151.5° | 19.3° |
| N08 | C10 | H102 | H101 | 119.0° | 120.0° |
| C10 | N08 | C09 | H091 | 47.3° | 153.6° |
| C10 | N08 | C09 | H092 | 166.7° | 33.6° |
| N08 | C10 | C11 | H111 | 43.6° | 54.2° |
| C11 | C13 | C26 | N14 | 117.3° | 120.0° |
| C11 | C13 | C26 | H131 | 122.5° | 120.0° |
| C11 | C13 | N14 | H131 | 122.4° | 120.0° |
| C11 | C13 | C26 | C27 | 177.0° | 175.0° |
| C11 | C13 | N14 | C15 | 113.1° | 155.0° |
| C13 | C11 | C10 | H102 | 45.6° | 54.2° |
| C13 | C11 | C10 | H101 | 164.9° | 65.8° |
| C11 | C13 | C26 | H261 | 57.2° | 65.0° |
| C11 | C13 | C26 | H262 | 63.2° | 55.0° |
| C11 | C13 | N14 | H141 | 66.9° | 25.0° |
| C13 | C11 | O12 | H121 | 61.6° | 57.0° |
| C04 | C03 | S05 | N08 | 95.9° | 84.5° |
| C04 | C03 | S05 | O07 | 148.6° | 162.0° |
| C04 | C03 | S05 | O06 | 21.6° | 29.0° |
| C04 | C03 | C02 | H021 | 179.7° | 179.9° |
| C03 | S05 | N08 | O07 | 114.2° | 113.5° |
| C03 | S05 | N08 | O06 | 118.6° | 113.5° |
| C03 | S05 | O07 | O06 | 123.1° | 123.0° |
| S05 | C03 | C02 | H021 | 1.0° | 0.1° |
| S05 | C03 | C04 | H041 | 0.7° | 0.0° |
| N08 | S05 | O07 | O06 | 122.4° | 123.0° |
| S05 | N08 | C10 | H102 | 3.5° | 25.8° |
| S05 | N08 | C10 | H101 | 122.9° | 145.8° |
| S05 | N08 | C09 | H091 | 97.9° | 26.5° |
| S05 | N08 | C09 | H092 | 21.5° | 146.4° |
| C26 | C13 | N14 | H131 | 119.2° | 120.0° |
| C13 | C26 | C27 | H261 | 119.8° | 120.0° |
| C13 | C26 | C27 | H262 | 119.8° | 120.0° |
| C26 | C13 | N14 | C15 | 128.5° | 85.0° |
| C13 | C26 | C27 | C28 | 109.6° | 90.0° |
| C13 | C26 | C27 | C32 | 69.7° | 90.0° |
| C13 | C26 | H261 | H262 | 120.6° | 120.0° |
| C26 | C13 | C11 | H111 | 169.2° | 175.0° |
| C26 | C13 | N14 | H141 | 51.5° | 95.0° |
| N14 | C13 | C26 | C27 | 59.7° | 65.0° |
| C13 | N14 | C15 | H141 | 180.0° | 180.0° |
| C13 | N14 | C15 | O17 | 176.0° | 180.0° |
| C13 | N14 | C15 | O16 | 1.4° | 0.0° |
| N14 | C13 | C26 | H261 | 60.0° | 55.0° |
| N14 | C13 | C26 | H262 | 179.5° | 175.0° |
| N14 | C13 | C11 | H111 | 54.7° | 55.0° |
| C26 | C27 | C28 | C32 | 179.3° | 180.0° |
| C26 | C27 | C28 | C29 | 179.7° | 180.0° |
| C26 | C27 | C32 | C31 | 179.2° | 179.4° |
| C27 | C26 | C13 | H131 | 60.5° | 55.0° |
| C27 | C26 | H261 | H262 | 120.6° | 120.0° |
| C26 | C27 | C28 | H281 | 0.4° | 0.2° |
| C26 | C27 | C32 | H321 | 0.8° | 0.1° |
| N14 | C15 | O17 | O16 | 177.3° | 180.0° |
| N14 | C15 | O17 | C18 | 176.4° | 180.0° |
| C15 | N14 | C13 | H131 | 9.3° | 35.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.8° |
| C28 | C27 | C32 | C31 | 0.1° | 0.6° |
| C27 | C28 | C29 | C30 | 2.4° | 0.2° |
| C28 | C27 | C26 | H261 | 10.2° | 30.0° |
| C28 | C27 | C26 | H262 | 130.6° | 150.0° |
| C27 | C28 | C29 | H291 | 177.6° | 179.7° |
| C28 | C27 | C32 | H321 | 179.9° | 180.0° |
| C32 | C27 | C28 | C29 | 1.0° | 0.1° |
| C27 | C32 | C31 | H321 | 180.0° | 179.3° |
| C27 | C32 | C31 | C30 | 0.1° | 0.9° |
| C32 | C27 | C26 | H261 | 170.5° | 150.0° |
| C32 | C27 | C26 | H262 | 50.1° | 30.0° |
| C32 | C27 | C28 | H281 | 178.9° | 179.7° |
| C27 | C32 | C31 | H311 | 179.9° | 179.7° |
| C15 | O17 | C18 | C19 | 136.7° | 98.4° |
| C15 | O17 | C18 | C21 | 112.8° | 150.0° |
| C15 | O17 | C18 | H181 | 5.3° | 25.8° |
| O17 | C15 | N14 | H141 | 4.0° | 0.0° |
| O16 | C15 | O17 | C18 | 6.3° | 0.0° |
| O16 | C15 | N14 | H141 | 178.6° | 180.0° |
| O17 | C18 | C19 | O20 | 73.7° | 82.8° |
| O17 | C18 | C19 | C21 | 111.3° | 117.9° |
| O17 | C18 | C19 | H181 | 129.0° | 124.1° |
| O17 | C18 | C21 | H181 | 119.3° | 124.1° |
| O17 | C18 | C21 | C22 | 86.7° | 83.8° |
| O17 | C18 | C21 | C23 | 31.7° | 26.7° |
| O17 | C18 | C21 | H211 | 151.5° | 153.4° |
| O17 | C18 | C19 | H191 | 45.8° | 159.8° |
| O17 | C18 | C19 | H192 | 166.9° | 37.7° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 2.6° | 0.1° |
| C28 | C29 | C30 | H301 | 177.4° | 179.9° |
| O20 | C19 | C18 | H191 | 119.5° | 117.4° |
| O20 | C19 | C18 | H192 | 119.5° | 120.5° |
| O20 | C19 | C18 | C21 | 37.6° | 35.1° |
| C19 | O20 | C22 | O25 | 131.5° | 112.9° |
| C19 | O20 | C22 | C21 | 13.9° | 0.1° |
| C19 | O20 | C22 | H221 | 110.9° | 122.9° |
| O20 | C19 | C18 | H181 | 157.4° | 153.1° |
| O20 | C19 | H191 | H192 | 121.5° | 122.7° |
| C22 | O20 | C19 | C18 | 34.9° | 22.4° |
| O20 | C22 | C21 | C18 | 6.2° | 22.4° |
| O20 | C22 | O25 | C24 | 109.2° | 152.4° |
| O20 | C22 | O25 | C21 | 118.7° | 114.5° |
| O20 | C22 | O25 | H221 | 118.7° | 124.2° |
| O20 | C22 | C21 | H221 | 122.5° | 122.8° |
| O20 | C22 | C21 | C23 | 127.5° | 136.4° |
| O20 | C22 | C21 | H211 | 111.9° | 100.2° |
| C22 | O20 | C19 | H191 | 154.3° | 95.8° |
| C22 | O20 | C19 | H192 | 84.6° | 142.1° |
| C19 | C18 | C21 | H181 | 124.3° | 117.9° |
| C19 | C18 | C21 | C22 | 29.7° | 34.2° |
| C19 | C18 | C21 | C23 | 148.1° | 144.6° |
| C19 | C18 | C21 | H211 | 92.2° | 88.6° |
| C18 | C19 | H191 | H192 | 121.5° | 122.0° |
| C32 | C31 | C30 | C29 | 1.5° | 0.6° |
| C32 | C31 | C30 | H311 | 180.0° | 179.3° |
| C32 | C31 | C30 | H301 | 178.5° | 179.4° |
| C18 | C21 | C23 | C24 | 94.6° | 112.5° |
| C18 | C21 | C22 | O25 | 112.3° | 93.5° |
| C18 | C21 | C22 | C23 | 121.3° | 113.9° |
| C18 | C21 | C22 | H211 | 118.1° | 122.7° |
| C18 | C21 | C23 | H211 | 119.5° | 126.9° |
| C18 | C21 | C22 | H221 | 128.7° | 145.2° |
| C21 | C18 | C19 | H191 | 157.0° | 82.2° |
| C21 | C18 | C19 | H192 | 81.9° | 155.7° |
| C18 | C21 | C23 | H232 | 146.7° | 6.1° |
| C18 | C21 | C23 | H231 | 24.2° | 128.8° |
| O25 | C24 | C23 | H241 | 119.8° | 118.8° |
| O25 | C24 | C23 | H242 | 119.8° | 118.8° |
| C24 | O25 | C22 | C21 | 9.5° | 37.9° |
| O25 | C24 | C23 | C21 | 28.8° | 25.5° |
| C24 | O25 | C22 | H221 | 132.2° | 83.4° |
| O25 | C24 | H241 | H242 | 120.6° | 122.3° |
| O25 | C24 | C23 | H232 | 89.9° | 93.1° |
| O25 | C24 | C23 | H231 | 147.6° | 144.2° |
| C23 | C24 | O25 | C22 | 24.0° | 40.0° |
| C24 | C23 | C21 | C22 | 22.3° | 3.0° |
| C24 | C23 | C21 | H232 | 118.7° | 118.6° |
| C24 | C23 | C21 | H231 | 118.8° | 118.7° |
| C24 | C23 | C21 | H211 | 146.0° | 120.6° |
| C23 | C24 | H241 | H242 | 120.6° | 122.4° |
| C24 | C23 | H232 | H231 | 123.6° | 122.6° |
| O25 | C22 | C21 | H221 | 119.0° | 121.3° |
| O25 | C22 | C21 | C23 | 9.0° | 20.5° |
| O25 | C22 | C21 | H211 | 129.6° | 143.9° |
| C22 | O25 | C24 | H241 | 143.8° | 158.9° |
| C22 | O25 | C24 | H242 | 95.8° | 78.8° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C30 | C29 | C28 | H281 | 177.6° | 180.0° |
| C29 | C30 | C31 | H311 | 178.5° | 180.0° |
| C22 | C21 | C23 | H211 | 123.6° | 123.6° |
| C22 | C21 | C18 | H181 | 154.0° | 152.1° |
| C22 | C21 | C23 | H232 | 96.4° | 115.6° |
| C22 | C21 | C23 | H231 | 141.1° | 121.7° |
| C23 | C21 | C22 | H221 | 110.0° | 100.9° |
| C21 | C23 | C24 | H241 | 148.6° | 144.4° |
| C21 | C23 | C24 | H242 | 91.0° | 93.3° |
| C23 | C21 | C18 | H181 | 87.6° | 97.5° |
| C21 | C23 | H232 | H231 | 123.6° | 122.7° |
| C31 | C30 | C29 | H291 | 177.4° | 180.0° |
| C30 | C31 | C32 | H321 | 179.9° | 179.8° |
| H102 | C10 | C11 | H111 | 163.9° | 65.8° |
| H101 | C10 | C11 | H111 | 76.8° | 174.2° |
| H131 | C13 | C26 | H261 | 179.7° | 175.0° |
| H131 | C13 | C26 | H262 | 59.3° | 65.0° |
| H131 | C13 | C11 | H111 | 68.4° | 65.0° |
| H131 | C13 | N14 | H141 | 170.7° | 145.0° |
| H211 | C21 | C22 | H221 | 10.6° | 22.5° |
| H211 | C21 | C18 | H181 | 32.2° | 29.3° |
| H211 | C21 | C23 | H232 | 27.2° | 120.8° |
| H211 | C21 | C23 | H231 | 95.3° | 2.0° |
| H241 | C24 | C23 | H232 | 29.9° | 25.8° |
| H241 | C24 | C23 | H231 | 92.7° | 96.9° |
| H242 | C24 | C23 | H232 | 150.3° | 148.1° |
| H242 | C24 | C23 | H231 | 27.8° | 25.5° |
| H281 | C28 | C29 | H291 | 2.4° | 0.1° |
| H011 | C01 | C02 | H021 | 0.2° | 0.1° |
| H091 | C09 | C33 | H331 | 63.3° | 63.1° |
| H092 | C09 | C33 | H331 | 177.3° | 176.9° |
| H111 | C11 | O12 | H121 | 57.7° | 177.0° |
| H181 | C18 | C19 | H191 | 83.2° | 35.7° |
| H181 | C18 | C19 | H192 | 37.9° | 86.4° |
| H291 | C29 | C30 | H301 | 2.6° | 0.0° |
| H301 | C30 | C31 | H311 | 1.5° | 0.0° |
| H311 | C31 | C32 | H321 | 0.1° | 0.4° |
| H331 | C33 | C34 | H342 | 60.2° | 67.1° |
| H331 | C33 | C34 | H343 | 179.8° | 52.9° |
| H331 | C33 | C34 | H341 | 59.8° | 172.8° |
| H331 | C33 | C35 | H352 | 60.4° | 60.0° |
| H331 | C33 | C35 | H351 | 179.6° | 60.0° |
| H331 | C33 | C35 | H353 | 59.6° | 180.0° |
| H342 | C34 | H343 | H341 | 120.0° | 120.0° |
| H352 | C35 | H351 | H353 | 120.0° | 119.9° |
| H362 | C36 | C37 | H372 | 5.9° | 96.5° |
| H362 | C36 | C37 | H371 | 115.2° | 25.7° |
| H362 | C36 | C40 | H401 | 1.5° | 96.7° |
| H361 | C36 | C37 | H372 | 126.3° | 26.8° |
| H361 | C36 | C37 | H371 | 5.2° | 149.0° |
| H361 | C36 | C40 | H401 | 121.9° | 26.9° |
| H401 | C40 | O41 | H411 | 52.3° | 57.8° |
