YUD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C40 | sing | 1.43Å | 1.36Å | |
| C36 | C40 | sing | 1.54Å | 1.51Å | |
| C36 | C37 | sing | 1.54Å | 1.52Å | |
| C40 | C39 | sing | 1.51Å | 1.48Å | |
| C39 | C01 | doub | 1.38Å | 1.52Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.48Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.53Å | Aromatic |
| C34 | C42 | sing | 1.53Å | 1.56Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.51Å | 1.54Å | |
| C38 | C04 | doub | 1.38Å | 1.53Å | Aromatic |
| O12 | C11 | sing | 1.43Å | 1.39Å | |
| C02 | C03 | doub | 1.38Å | 1.51Å | Aromatic |
| C09 | C33 | sing | 1.53Å | 1.56Å | |
| C09 | N08 | sing | 1.46Å | 1.47Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | N08 | sing | 1.46Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
| C03 | S05 | sing | 1.76Å | 1.81Å | |
| N08 | S05 | sing | 1.66Å | 1.70Å | |
| S05 | O06 | doub | 1.42Å | 1.44Å | |
| S05 | O07 | doub | 1.42Å | 1.46Å | |
| C13 | C26 | sing | 1.53Å | 1.53Å | |
| C13 | N14 | sing | 1.46Å | 1.44Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| N14 | C15 | sing | 1.35Å | 1.48Å | |
| C27 | C32 | doub | 1.38Å | 1.48Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| C15 | O17 | sing | 1.35Å | 1.43Å | |
| C15 | O16 | doub | 1.21Å | 1.18Å | |
| C32 | C31 | sing | 1.38Å | 1.49Å | Aromatic |
| O17 | C18 | sing | 1.45Å | 1.42Å | |
| O20 | C19 | sing | 1.44Å | 1.37Å | |
| O20 | C22 | sing | 1.44Å | 1.55Å | |
| C19 | C18 | sing | 1.55Å | 1.63Å | |
| C28 | C29 | doub | 1.38Å | 1.50Å | Aromatic |
| C18 | C21 | sing | 1.55Å | 1.32Å | |
| O25 | C24 | sing | 1.44Å | 1.61Å | |
| O25 | C22 | sing | 1.44Å | 1.24Å | |
| C24 | C23 | sing | 1.55Å | 1.31Å | |
| C31 | C30 | doub | 1.38Å | 1.49Å | Aromatic |
| C22 | C21 | sing | 1.55Å | 1.58Å | |
| C23 | C21 | sing | 1.55Å | 1.48Å | |
| C29 | C30 | sing | 1.38Å | 1.48Å | 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 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H423 | 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 | 111.3° | 110.3° |
| O41 | C40 | C39 | 105.4° | 110.8° |
| O41 | C40 | H401 | 112.5° | 110.3° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| C40 | C36 | C37 | 106.7° | 102.6° |
| C36 | C40 | C39 | 106.9° | 105.2° |
| C40 | C36 | H361 | 110.2° | 110.8° |
| C40 | C36 | H362 | 110.2° | 110.8° |
| C36 | C40 | H401 | 110.1° | 110.3° |
| C36 | C37 | C38 | 104.1° | 105.3° |
| C37 | C36 | H361 | 110.2° | 110.3° |
| C37 | C36 | H362 | 110.2° | 111.2° |
| C36 | C37 | H371 | 110.8° | 110.3° |
| C36 | C37 | H372 | 110.8° | 110.3° |
| C40 | C39 | C01 | 130.7° | 130.4° |
| C40 | C39 | C38 | 108.2° | 109.7° |
| C39 | C40 | H401 | 110.5° | 109.9° |
| C01 | C39 | C38 | 121.0° | 119.9° |
| C39 | C01 | C02 | 120.3° | 120.2° |
| C39 | C01 | H011 | 119.9° | 119.9° |
| C39 | C38 | C37 | 108.5° | 109.8° |
| C39 | C38 | C04 | 120.9° | 119.8° |
| C01 | C02 | C03 | 117.0° | 119.9° |
| C02 | C01 | H011 | 119.9° | 119.9° |
| C01 | C02 | H021 | 121.5° | 120.0° |
| C42 | C34 | C33 | 110.0° | 109.5° |
| C42 | C34 | H341 | 109.3° | 109.4° |
| C42 | C34 | H342 | 109.3° | 109.5° |
| C34 | C42 | H421 | 109.5° | 109.5° |
| C34 | C42 | H422 | 109.5° | 109.4° |
| C34 | C42 | H423 | 109.5° | 109.5° |
| C34 | C33 | C09 | 109.6° | 109.5° |
| C34 | C33 | C35 | 112.4° | 109.4° |
| C34 | C33 | H331 | 108.4° | 109.5° |
| C33 | C34 | H341 | 109.3° | 109.5° |
| C33 | C34 | H342 | 109.3° | 109.5° |
| C37 | C38 | C04 | 130.5° | 130.4° |
| C38 | C37 | H371 | 110.8° | 109.9° |
| C38 | C37 | H372 | 110.8° | 110.7° |
| C38 | C04 | C03 | 117.2° | 120.2° |
| C38 | C04 | H041 | 121.4° | 119.9° |
| O12 | C11 | C10 | 109.0° | 109.4° |
| O12 | C11 | C13 | 110.4° | 109.5° |
| O12 | C11 | H111 | 111.3° | 109.5° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| C02 | C03 | C04 | 123.5° | 120.0° |
| C02 | C03 | S05 | 119.7° | 120.0° |
| C03 | C02 | H021 | 121.5° | 120.1° |
| C33 | C09 | N08 | 112.1° | 109.5° |
| C09 | C33 | C35 | 110.1° | 109.5° |
| C33 | C09 | H091 | 108.8° | 109.4° |
| C33 | C09 | H092 | 108.8° | 109.5° |
| C09 | C33 | H331 | 107.8° | 109.5° |
| C09 | N08 | C10 | 123.6° | 120.0° |
| C09 | N08 | S05 | 112.9° | 120.0° |
| N08 | C09 | H091 | 108.8° | 109.5° |
| N08 | C09 | H092 | 108.8° | 109.5° |
| C35 | C33 | H331 | 108.3° | 109.5° |
| C33 | C35 | H351 | 109.5° | 109.4° |
| C33 | C35 | H353 | 109.5° | 109.5° |
| C33 | C35 | H352 | 109.5° | 109.5° |
| C11 | C10 | N08 | 109.2° | 109.4° |
| C10 | C11 | C13 | 107.4° | 109.5° |
| C11 | C10 | H102 | 109.5° | 109.4° |
| C11 | C10 | H101 | 109.6° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | N08 | S05 | 113.8° | 120.0° |
| N08 | C10 | H102 | 109.5° | 109.5° |
| N08 | C10 | H101 | 109.5° | 109.5° |
| C11 | C13 | C26 | 111.3° | 109.5° |
| C11 | C13 | N14 | 106.7° | 109.5° |
| C11 | C13 | H131 | 110.3° | 109.5° |
| C13 | C11 | H111 | 109.3° | 109.5° |
| C04 | C03 | S05 | 116.8° | 120.1° |
| C03 | C04 | H041 | 121.4° | 119.9° |
| C03 | S05 | N08 | 105.9° | 107.2° |
| C03 | S05 | O06 | 108.1° | 106.4° |
| C03 | S05 | O07 | 110.8° | 106.4° |
| N08 | S05 | O06 | 109.7° | 106.4° |
| N08 | S05 | O07 | 107.9° | 106.4° |
| O06 | S05 | O07 | 114.2° | 123.1° |
| C26 | C13 | N14 | 106.3° | 109.4° |
| C13 | C26 | C27 | 107.8° | 109.5° |
| C26 | C13 | H131 | 110.4° | 109.5° |
| C13 | C26 | H261 | 109.9° | 109.5° |
| C13 | C26 | H262 | 109.9° | 109.5° |
| C13 | N14 | C15 | 123.9° | 120.0° |
| N14 | C13 | H131 | 111.7° | 109.5° |
| C13 | N14 | H141 | 118.0° | 120.0° |
| C26 | C27 | C32 | 118.3° | 120.0° |
| C26 | C27 | C28 | 122.3° | 120.0° |
| C27 | C26 | H261 | 109.9° | 109.5° |
| C27 | C26 | H262 | 109.9° | 109.5° |
| N14 | C15 | O17 | 114.1° | 120.0° |
| N14 | C15 | O16 | 120.6° | 120.0° |
| C15 | N14 | H141 | 118.0° | 120.0° |
| C32 | C27 | C28 | 119.3° | 120.0° |
| C27 | C32 | C31 | 120.1° | 120.0° |
| C27 | C32 | H321 | 120.0° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C27 | C28 | H281 | 120.0° | 120.0° |
| O17 | C15 | O16 | 125.3° | 120.1° |
| C15 | O17 | C18 | 119.1° | 116.9° |
| C32 | C31 | C30 | 120.9° | 120.0° |
| C32 | C31 | H311 | 119.5° | 120.0° |
| C31 | C32 | H321 | 119.9° | 120.0° |
| O17 | C18 | C19 | 102.4° | 111.0° |
| O17 | C18 | C21 | 112.9° | 110.8° |
| O17 | C18 | H181 | 112.4° | 110.7° |
| C19 | O20 | C22 | 110.2° | 107.1° |
| O20 | C19 | C18 | 99.0° | 103.7° |
| O20 | C19 | H192 | 112.0° | 110.9° |
| O20 | C19 | H191 | 112.0° | 110.2° |
| O20 | C22 | O25 | 110.2° | 109.3° |
| O20 | C22 | C21 | 99.4° | 106.8° |
| O20 | C22 | H221 | 110.1° | 111.1° |
| C19 | C18 | C21 | 104.6° | 102.3° |
| C19 | C18 | H181 | 109.4° | 110.9° |
| C18 | C19 | H192 | 112.0° | 110.6° |
| C18 | C19 | H191 | 112.0° | 110.6° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C29 | C28 | H281 | 120.0° | 120.0° |
| C28 | C29 | H291 | 120.0° | 120.1° |
| C18 | C21 | C22 | 108.9° | 104.2° |
| C18 | C21 | C23 | 112.6° | 109.3° |
| C18 | C21 | H211 | 112.8° | 112.8° |
| C21 | C18 | H181 | 114.1° | 110.9° |
| C24 | O25 | C22 | 105.3° | 107.4° |
| O25 | C24 | C23 | 109.5° | 103.7° |
| O25 | C24 | H241 | 109.5° | 110.8° |
| O25 | C24 | H242 | 109.5° | 110.3° |
| O25 | C22 | C21 | 111.1° | 107.0° |
| O25 | C22 | H221 | 115.3° | 111.2° |
| C24 | C23 | C21 | 106.4° | 102.1° |
| C23 | C24 | H241 | 109.5° | 110.6° |
| C23 | C24 | H242 | 109.5° | 110.6° |
| C24 | C23 | H232 | 110.2° | 110.9° |
| C24 | C23 | H231 | 110.2° | 110.8° |
| C31 | C30 | C29 | 119.7° | 120.0° |
| C31 | C30 | H301 | 120.2° | 120.1° |
| C30 | C31 | H311 | 119.6° | 120.0° |
| C22 | C21 | C23 | 102.7° | 104.1° |
| C22 | C21 | H211 | 109.0° | 113.0° |
| C21 | C22 | H221 | 109.6° | 111.2° |
| C23 | C21 | H211 | 110.3° | 112.8° |
| C21 | C23 | H232 | 110.2° | 110.5° |
| C21 | C23 | H231 | 110.2° | 111.3° |
| C30 | C29 | H291 | 120.0° | 120.0° |
| C29 | C30 | H301 | 120.2° | 120.0° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H241 | C24 | H242 | 109.5° | 110.6° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 110.6° |
| H232 | C23 | H231 | 109.5° | 110.9° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.4° | 109.5° |
| H353 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.4° | 110.9° |
| H371 | C37 | H372 | 109.5° | 110.3° |
| H421 | C42 | H422 | 109.4° | 109.5° |
| H421 | C42 | H423 | 109.4° | 109.5° |
| H422 | C42 | H423 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C40 | C36 | C39 | 114.6° | 119.5° |
| O41 | C40 | C36 | H401 | 125.4° | 122.1° |
| O41 | C40 | C36 | C37 | 138.0° | 145.3° |
| O41 | C40 | C39 | H401 | 121.7° | 122.1° |
| O41 | C40 | C39 | C01 | 44.8° | 43.6° |
| O41 | C40 | C39 | C38 | 132.9° | 135.9° |
| O41 | C40 | C36 | H361 | 102.5° | 27.6° |
| O41 | C40 | C36 | H362 | 18.4° | 95.9° |
| C40 | C36 | C37 | H361 | 119.6° | 118.1° |
| C40 | C36 | C37 | H362 | 119.6° | 118.5° |
| C36 | C40 | C39 | H401 | 119.8° | 118.7° |
| C36 | C40 | C39 | C01 | 163.3° | 162.8° |
| C36 | C40 | C39 | C38 | 14.5° | 16.7° |
| C40 | C36 | C37 | C38 | 22.6° | 25.9° |
| C40 | C36 | H361 | H362 | 121.3° | 123.5° |
| C40 | C36 | C37 | H371 | 96.6° | 92.6° |
| C40 | C36 | C37 | H372 | 141.7° | 145.3° |
| C36 | C40 | O41 | H411 | 180.0° | 180.0° |
| C37 | C36 | C40 | C39 | 23.3° | 25.8° |
| C36 | C37 | C38 | C39 | 14.0° | 17.0° |
| C36 | C37 | C38 | H371 | 119.2° | 118.7° |
| C36 | C37 | C38 | H372 | 119.1° | 119.2° |
| C36 | C37 | C38 | C04 | 166.7° | 163.3° |
| C37 | C36 | H361 | H362 | 121.3° | 123.6° |
| C36 | C37 | H371 | H372 | 122.5° | 122.1° |
| C37 | C36 | C40 | H401 | 96.7° | 92.6° |
| C40 | C39 | C01 | C38 | 177.5° | 179.4° |
| C40 | C39 | C01 | C02 | 179.7° | 180.0° |
| C40 | C39 | C38 | C37 | 0.1° | 0.2° |
| C40 | C39 | C38 | C04 | 179.3° | 179.9° |
| C40 | C39 | C01 | H011 | 0.3° | 0.3° |
| C39 | C40 | C36 | H361 | 142.9° | 91.9° |
| C39 | C40 | C36 | H362 | 96.2° | 144.6° |
| C39 | C40 | O41 | H411 | 64.5° | 64.0° |
| C39 | C01 | C02 | H011 | 180.0° | 179.7° |
| C01 | C39 | C38 | C37 | 177.9° | 179.7° |
| C01 | C39 | C38 | C04 | 2.7° | 0.6° |
| C39 | C01 | C02 | C03 | 0.2° | 0.3° |
| C39 | C01 | C02 | H021 | 179.8° | 179.7° |
| C01 | C39 | C40 | H401 | 76.9° | 78.5° |
| C38 | C39 | C01 | C02 | 2.1° | 0.6° |
| C39 | C38 | C37 | C04 | 179.3° | 179.7° |
| C39 | C38 | C04 | C03 | 1.0° | 0.3° |
| C38 | C39 | C01 | H011 | 177.9° | 179.7° |
| C39 | C38 | C04 | H041 | 179.0° | 179.7° |
| C39 | C38 | C37 | H371 | 105.2° | 101.7° |
| C39 | C38 | C37 | H372 | 133.1° | 136.2° |
| C38 | C39 | C40 | H401 | 105.3° | 102.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 2.0° | 0.0° |
| C01 | C02 | C03 | S05 | 179.9° | 180.0° |
| C42 | C34 | C33 | H341 | 120.1° | 120.0° |
| C42 | C34 | C33 | H342 | 120.1° | 120.0° |
| C42 | C34 | C33 | C09 | 68.9° | 175.0° |
| C42 | C34 | C33 | C35 | 53.9° | 65.0° |
| C42 | C34 | C33 | H331 | 173.7° | 55.0° |
| C42 | C34 | H341 | H342 | 119.8° | 120.0° |
| C34 | C42 | H421 | H422 | 120.0° | 120.0° |
| C34 | C42 | H421 | H423 | 120.0° | 120.0° |
| C34 | C42 | H422 | H423 | 120.0° | 119.9° |
| C34 | C33 | C09 | C35 | 124.2° | 120.0° |
| C34 | C33 | C09 | H331 | 117.9° | 120.0° |
| C34 | C33 | C09 | N08 | 174.7° | 175.0° |
| C34 | C33 | C35 | H331 | 119.8° | 120.0° |
| C34 | C33 | C09 | H091 | 54.3° | 55.0° |
| C34 | C33 | C09 | H092 | 65.0° | 64.9° |
| C33 | C34 | H341 | H342 | 119.7° | 120.0° |
| C34 | C33 | C35 | H351 | 180.0° | 180.0° |
| C34 | C33 | C35 | H353 | 60.0° | 60.0° |
| C34 | C33 | C35 | H352 | 60.0° | 60.0° |
| C33 | C34 | C42 | H421 | 180.0° | 180.0° |
| C33 | C34 | C42 | H422 | 60.0° | 60.0° |
| C33 | C34 | C42 | H423 | 60.0° | 60.0° |
| C37 | C38 | C04 | C03 | 179.8° | 180.0° |
| C37 | C38 | C04 | H041 | 0.2° | 0.1° |
| C38 | C37 | C36 | H361 | 142.2° | 92.2° |
| C38 | C37 | C36 | H362 | 97.0° | 144.4° |
| C38 | C37 | H371 | H372 | 122.5° | 122.3° |
| C38 | C04 | C03 | C02 | 1.4° | 0.0° |
| C38 | C04 | C03 | H041 | 180.0° | 180.0° |
| C38 | C04 | C03 | S05 | 179.4° | 179.9° |
| C04 | C38 | C37 | H371 | 74.1° | 78.0° |
| C04 | C38 | C37 | H372 | 47.6° | 44.1° |
| O12 | C11 | C10 | C13 | 119.6° | 120.0° |
| O12 | C11 | C10 | H111 | 121.9° | 120.0° |
| O12 | C11 | C10 | N08 | 167.4° | 64.3° |
| O12 | C11 | C13 | H111 | 122.7° | 120.1° |
| O12 | C11 | C13 | C26 | 47.3° | 55.0° |
| O12 | C11 | C13 | N14 | 68.2° | 65.0° |
| O12 | C11 | C10 | H102 | 72.6° | 175.7° |
| O12 | C11 | C10 | H101 | 47.4° | 55.7° |
| O12 | C11 | C13 | H131 | 170.2° | 175.0° |
| C02 | C03 | C04 | S05 | 178.0° | 180.0° |
| C02 | C03 | S05 | N08 | 86.4° | 88.2° |
| C02 | C03 | S05 | O06 | 31.0° | 158.2° |
| C02 | C03 | S05 | O07 | 156.9° | 25.4° |
| C03 | C02 | C01 | H011 | 179.8° | 180.0° |
| C02 | C03 | C04 | H041 | 178.6° | 180.0° |
| C33 | C09 | N08 | H091 | 120.4° | 120.0° |
| C33 | C09 | N08 | H092 | 120.4° | 120.0° |
| C09 | C33 | C35 | H331 | 117.7° | 120.0° |
| C33 | C09 | N08 | C10 | 79.5° | 85.0° |
| C33 | C09 | N08 | S05 | 136.8° | 95.0° |
| C33 | C09 | H091 | H092 | 118.8° | 119.9° |
| C09 | C33 | C34 | H341 | 171.1° | 65.0° |
| C09 | C33 | C34 | H342 | 51.2° | 55.0° |
| C09 | C33 | C35 | H351 | 57.4° | 60.0° |
| C09 | C33 | C35 | H353 | 62.6° | 59.9° |
| C09 | C33 | C35 | H352 | 177.4° | 180.0° |
| N08 | C09 | C33 | C35 | 61.2° | 65.0° |
| C09 | N08 | C10 | C11 | 99.0° | 64.5° |
| C09 | N08 | C10 | S05 | 143.4° | 179.9° |
| C09 | N08 | S05 | C03 | 57.5° | 93.7° |
| C09 | N08 | S05 | O06 | 173.9° | 152.8° |
| C09 | N08 | S05 | O07 | 61.2° | 19.9° |
| C09 | N08 | C10 | H102 | 141.0° | 55.5° |
| C09 | N08 | C10 | H101 | 21.0° | 175.5° |
| N08 | C09 | H091 | H092 | 118.8° | 120.0° |
| N08 | C09 | C33 | H331 | 56.8° | 55.0° |
| C35 | C33 | C09 | H091 | 178.4° | 175.0° |
| C35 | C33 | C09 | H092 | 59.2° | 55.0° |
| C35 | C33 | C34 | H341 | 66.1° | 55.0° |
| C35 | C33 | C34 | H342 | 174.0° | 175.0° |
| C33 | C35 | H351 | H353 | 120.0° | 120.0° |
| C33 | C35 | H351 | H352 | 120.0° | 120.0° |
| C33 | C35 | H353 | H352 | 120.0° | 120.0° |
| C11 | C10 | N08 | H102 | 120.0° | 120.0° |
| C11 | C10 | N08 | H101 | 120.0° | 120.0° |
| C10 | C11 | C13 | H111 | 118.6° | 120.0° |
| C11 | C10 | N08 | S05 | 117.6° | 115.6° |
| C10 | C11 | C13 | C26 | 71.4° | 65.0° |
| C10 | C11 | C13 | N14 | 173.1° | 175.0° |
| C11 | C10 | H102 | H101 | 120.1° | 120.0° |
| C10 | C11 | C13 | H131 | 51.5° | 55.0° |
| C10 | C11 | O12 | H121 | 180.0° | 59.2° |
| N08 | C10 | C11 | C13 | 73.0° | 175.8° |
| C10 | N08 | S05 | C03 | 89.9° | 86.4° |
| C10 | N08 | S05 | O06 | 26.5° | 27.2° |
| C10 | N08 | S05 | O07 | 151.4° | 160.1° |
| N08 | C10 | H102 | H101 | 120.1° | 120.0° |
| C10 | N08 | C09 | H091 | 40.9° | 35.0° |
| C10 | N08 | C09 | H092 | 160.1° | 155.0° |
| N08 | C10 | C11 | H111 | 45.5° | 55.8° |
| C11 | C13 | C26 | N14 | 115.8° | 120.0° |
| C11 | C13 | C26 | H131 | 122.9° | 120.0° |
| C11 | C13 | N14 | H131 | 120.7° | 120.0° |
| C11 | C13 | C26 | C27 | 173.6° | 175.0° |
| C11 | C13 | N14 | C15 | 116.4° | 155.0° |
| C13 | C11 | C10 | H102 | 47.0° | 55.8° |
| C13 | C11 | C10 | H101 | 167.0° | 64.2° |
| C11 | C13 | C26 | H261 | 53.9° | 65.0° |
| C11 | C13 | C26 | H262 | 66.6° | 55.0° |
| C11 | C13 | N14 | H141 | 63.6° | 25.0° |
| C13 | C11 | O12 | H121 | 62.3° | 60.8° |
| C04 | C03 | S05 | N08 | 91.6° | 91.8° |
| C04 | C03 | S05 | O06 | 150.9° | 21.7° |
| C04 | C03 | S05 | O07 | 25.1° | 154.6° |
| C04 | C03 | C02 | H021 | 178.0° | 180.0° |
| C03 | S05 | N08 | O06 | 116.4° | 113.5° |
| C03 | S05 | N08 | O07 | 118.7° | 113.6° |
| C03 | S05 | O06 | O07 | 123.8° | 122.9° |
| S05 | C03 | C02 | H021 | 0.1° | 0.0° |
| S05 | C03 | C04 | H041 | 0.6° | 0.0° |
| N08 | S05 | O06 | O07 | 121.2° | 123.0° |
| S05 | N08 | C10 | H102 | 2.4° | 124.4° |
| S05 | N08 | C10 | H101 | 122.4° | 4.4° |
| S05 | N08 | C09 | H091 | 102.8° | 145.0° |
| S05 | N08 | C09 | H092 | 16.4° | 25.0° |
| C26 | C13 | N14 | H131 | 120.5° | 120.0° |
| C13 | C26 | C27 | H261 | 119.8° | 120.0° |
| C13 | C26 | C27 | H262 | 119.7° | 120.0° |
| C26 | C13 | N14 | C15 | 124.8° | 85.0° |
| C13 | C26 | C27 | C32 | 108.5° | 90.0° |
| C13 | C26 | C27 | C28 | 73.3° | 90.0° |
| C13 | C26 | H261 | H262 | 120.8° | 120.0° |
| C26 | C13 | C11 | H111 | 170.0° | 175.0° |
| C26 | C13 | N14 | H141 | 55.2° | 95.0° |
| N14 | C13 | C26 | C27 | 57.9° | 65.0° |
| C13 | N14 | C15 | H141 | 180.0° | 179.9° |
| C13 | N14 | C15 | O17 | 178.9° | 180.0° |
| C13 | N14 | C15 | O16 | 3.5° | 0.0° |
| N14 | C13 | C26 | H261 | 61.9° | 55.0° |
| N14 | C13 | C26 | H262 | 177.6° | 175.0° |
| N14 | C13 | C11 | H111 | 54.5° | 55.0° |
| C26 | C27 | C32 | C28 | 178.2° | 180.0° |
| C26 | C27 | C32 | C31 | 178.9° | 179.5° |
| C26 | C27 | C28 | C29 | 179.9° | 180.0° |
| C27 | C26 | C13 | H131 | 63.5° | 55.0° |
| C27 | C26 | H261 | H262 | 120.7° | 120.0° |
| C26 | C27 | C28 | H281 | 0.2° | 0.2° |
| C26 | C27 | C32 | H321 | 1.1° | 0.0° |
| N14 | C15 | O17 | O16 | 177.5° | 180.0° |
| N14 | C15 | O17 | C18 | 168.9° | 180.0° |
| C15 | N14 | C13 | H131 | 4.3° | 35.0° |
| C27 | C32 | C31 | H321 | 180.0° | 179.4° |
| C32 | C27 | C28 | C29 | 2.0° | 0.0° |
| C27 | C32 | C31 | C30 | 0.9° | 0.8° |
| C32 | C27 | C26 | H261 | 11.2° | 30.0° |
| C32 | C27 | C26 | H262 | 131.7° | 150.0° |
| C32 | C27 | C28 | H281 | 178.0° | 179.8° |
| C27 | C32 | C31 | H311 | 179.1° | 179.7° |
| C28 | C27 | C32 | C31 | 0.7° | 0.5° |
| C27 | C28 | C29 | H281 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 1.7° | 0.3° |
| C28 | C27 | C26 | H261 | 167.0° | 150.0° |
| C28 | C27 | C26 | H262 | 46.5° | 30.0° |
| C27 | C28 | C29 | H291 | 178.3° | 179.7° |
| C28 | C27 | C32 | H321 | 179.3° | 180.0° |
| C15 | O17 | C18 | C19 | 137.2° | 97.0° |
| C15 | O17 | C18 | C21 | 110.9° | 150.0° |
| C15 | O17 | C18 | H181 | 20.0° | 26.6° |
| O17 | C15 | N14 | H141 | 1.2° | 0.0° |
| O16 | C15 | O17 | C18 | 13.6° | 0.0° |
| O16 | C15 | N14 | H141 | 176.5° | 180.0° |
| C32 | C31 | C30 | H311 | 180.0° | 179.4° |
| C32 | C31 | C30 | C29 | 1.2° | 0.6° |
| C32 | C31 | C30 | H301 | 178.9° | 179.5° |
| O17 | C18 | C19 | O20 | 75.3° | 154.4° |
| O17 | C18 | C19 | C21 | 118.0° | 118.3° |
| O17 | C18 | C19 | H181 | 119.4° | 123.5° |
| O17 | C18 | C21 | H181 | 130.0° | 123.3° |
| O17 | C18 | C21 | C22 | 79.7° | 137.6° |
| O17 | C18 | C21 | C23 | 33.6° | 26.8° |
| O17 | C18 | C21 | H211 | 159.2° | 99.5° |
| O17 | C18 | C19 | H192 | 43.0° | 86.7° |
| O17 | C18 | C19 | H191 | 166.5° | 36.2° |
| O20 | C19 | C18 | H192 | 118.3° | 118.9° |
| O20 | C19 | C18 | H191 | 118.3° | 118.2° |
| O20 | C19 | C18 | C21 | 42.7° | 36.2° |
| C19 | O20 | C22 | O25 | 137.0° | 87.6° |
| C19 | O20 | C22 | C21 | 20.3° | 27.8° |
| C19 | O20 | C22 | H221 | 94.8° | 149.3° |
| O20 | C19 | C18 | H181 | 165.4° | 82.1° |
| O20 | C19 | H192 | H191 | 124.9° | 122.6° |
| C22 | O20 | C19 | C18 | 36.4° | 40.4° |
| O20 | C22 | C21 | C18 | 9.8° | 3.8° |
| O20 | C22 | O25 | C24 | 110.3° | 141.1° |
| O20 | C22 | O25 | C21 | 109.2° | 115.3° |
| O20 | C22 | O25 | H221 | 125.3° | 123.1° |
| O20 | C22 | C21 | H221 | 115.4° | 121.4° |
| O20 | C22 | C21 | C23 | 129.4° | 118.3° |
| O20 | C22 | C21 | H211 | 113.7° | 118.9° |
| C22 | O20 | C19 | H192 | 154.7° | 159.2° |
| C22 | O20 | C19 | H191 | 81.9° | 78.1° |
| C19 | C18 | C21 | H181 | 119.5° | 118.3° |
| C19 | C18 | C21 | C22 | 30.9° | 19.2° |
| C19 | C18 | C21 | C23 | 144.2° | 91.6° |
| C19 | C18 | C21 | H211 | 90.2° | 142.1° |
| C18 | C19 | H192 | H191 | 124.8° | 122.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | H301 | 179.8° | 180.0° |
| C18 | C21 | C22 | O25 | 106.2° | 113.2° |
| C18 | C21 | C23 | C24 | 95.5° | 132.0° |
| C18 | C21 | C22 | C23 | 119.6° | 114.5° |
| C18 | C21 | C22 | H211 | 123.5° | 122.8° |
| C18 | C21 | C23 | H211 | 127.0° | 126.3° |
| C18 | C21 | C22 | H221 | 125.2° | 125.2° |
| C21 | C18 | C19 | H192 | 161.0° | 155.1° |
| C21 | C18 | C19 | H191 | 75.6° | 82.0° |
| C18 | C21 | C23 | H232 | 145.0° | 14.0° |
| C18 | C21 | C23 | H231 | 24.0° | 109.7° |
| O25 | C24 | C23 | H241 | 120.0° | 118.8° |
| O25 | C24 | C23 | H242 | 120.0° | 118.3° |
| C24 | O25 | C22 | C21 | 1.1° | 25.7° |
| O25 | C24 | C23 | C21 | 21.9° | 36.9° |
| C24 | O25 | C22 | H221 | 124.4° | 95.9° |
| O25 | C24 | H241 | H242 | 120.0° | 122.7° |
| O25 | C24 | C23 | H232 | 97.6° | 80.9° |
| O25 | C24 | C23 | H231 | 141.4° | 155.5° |
| C22 | O25 | C24 | C23 | 13.6° | 39.6° |
| O25 | C22 | C21 | H221 | 128.6° | 121.6° |
| O25 | C22 | C21 | C23 | 13.4° | 1.3° |
| O25 | C22 | C21 | H211 | 130.3° | 124.0° |
| C22 | O25 | C24 | H241 | 133.6° | 158.2° |
| C22 | O25 | C24 | H242 | 106.4° | 78.9° |
| C24 | C23 | C21 | C22 | 21.5° | 21.1° |
| C24 | C23 | C21 | H232 | 119.5° | 118.0° |
| C24 | C23 | C21 | H231 | 119.5° | 118.3° |
| C24 | C23 | C21 | H211 | 137.5° | 101.8° |
| C23 | C24 | H241 | H242 | 120.0° | 122.9° |
| C24 | C23 | H232 | H231 | 121.4° | 123.6° |
| C31 | C30 | C29 | H301 | 180.0° | 180.0° |
| C31 | C30 | C29 | H291 | 179.9° | 180.0° |
| C30 | C31 | C32 | H321 | 179.1° | 179.7° |
| C22 | C21 | C23 | H211 | 116.0° | 122.9° |
| C22 | C21 | C18 | H181 | 150.4° | 99.1° |
| C22 | C21 | C23 | H232 | 98.0° | 96.9° |
| C22 | C21 | C23 | H231 | 141.0° | 139.4° |
| C23 | C21 | C22 | H221 | 115.2° | 120.3° |
| C21 | C23 | C24 | H241 | 141.9° | 155.7° |
| C21 | C23 | C24 | H242 | 98.1° | 81.4° |
| C23 | C21 | C18 | H181 | 96.4° | 150.1° |
| C21 | C23 | H232 | H231 | 121.4° | 123.9° |
| C30 | C29 | C28 | H281 | 178.3° | 180.0° |
| C29 | C30 | C31 | H311 | 178.8° | 180.0° |
| H102 | C10 | C11 | H111 | 165.5° | 64.2° |
| H101 | C10 | C11 | H111 | 74.5° | 175.8° |
| H131 | C13 | C26 | H261 | 176.8° | 175.0° |
| H131 | C13 | C26 | H262 | 56.2° | 65.0° |
| H131 | C13 | C11 | H111 | 67.1° | 65.0° |
| H131 | C13 | N14 | H141 | 175.7° | 145.0° |
| H211 | C21 | C22 | H221 | 1.7° | 2.5° |
| H211 | C21 | C18 | H181 | 29.3° | 23.8° |
| H211 | C21 | C23 | H232 | 18.0° | 140.2° |
| H211 | C21 | C23 | H231 | 103.0° | 16.5° |
| H241 | C24 | C23 | H232 | 22.3° | 37.9° |
| H241 | C24 | C23 | H231 | 98.6° | 85.7° |
| H242 | C24 | C23 | H232 | 142.4° | 160.9° |
| H242 | C24 | C23 | H231 | 21.4° | 37.2° |
| H281 | C28 | C29 | H291 | 1.7° | 0.0° |
| H011 | C01 | C02 | H021 | 0.2° | 0.0° |
| H091 | C09 | C33 | H331 | 63.6° | 65.0° |
| H092 | C09 | C33 | H331 | 177.2° | 175.0° |
| H111 | C11 | O12 | H121 | 59.2° | 179.2° |
| H181 | C18 | C19 | H192 | 76.3° | 36.8° |
| H181 | C18 | C19 | H191 | 47.1° | 159.7° |
| H291 | C29 | C30 | H301 | 0.2° | 0.0° |
| H301 | C30 | C31 | H311 | 1.1° | 0.0° |
| H311 | C31 | C32 | H321 | 0.9° | 0.3° |
| H331 | C33 | C34 | H341 | 53.6° | 175.0° |
| H331 | C33 | C34 | H342 | 66.2° | 65.0° |
| H331 | C33 | C35 | H351 | 60.2° | 60.0° |
| H331 | C33 | C35 | H353 | 179.8° | 180.0° |
| H331 | C33 | C35 | H352 | 59.8° | 60.0° |
| H341 | C34 | C42 | H421 | 60.0° | 60.0° |
| H341 | C34 | C42 | H422 | 60.1° | 180.0° |
| H341 | C34 | C42 | H423 | 179.9° | 60.0° |
| H342 | C34 | C42 | H421 | 59.9° | 60.0° |
| H342 | C34 | C42 | H422 | 179.9° | 60.1° |
| H342 | C34 | C42 | H423 | 60.1° | 180.0° |
| H351 | C35 | H353 | H352 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 23.0° | 149.3° |
| H361 | C36 | C37 | H372 | 98.7° | 27.2° |
| H361 | C36 | C40 | H401 | 22.9° | 149.7° |
| H362 | C36 | C37 | H371 | 143.9° | 25.9° |
| H362 | C36 | C37 | H372 | 22.2° | 96.2° |
| H362 | C36 | C40 | H401 | 143.7° | 26.2° |
| H401 | C40 | O41 | H411 | 55.9° | 57.9° |
| H421 | C42 | H422 | H423 | 119.9° | 120.0° |
