A1EHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O25 | sing | 1.44Å | 1.51Å | |
| C26 | C27 | sing | 1.55Å | 1.55Å | |
| O25 | C24 | sing | 1.44Å | 1.32Å | |
| C27 | C23 | sing | 1.54Å | 1.30Å | |
| C22 | C23 | sing | 1.52Å | 1.44Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.54Å | 1.62Å | |
| C23 | C28 | sing | 1.53Å | 1.45Å | |
| C21 | N20 | sing | 1.47Å | 1.44Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| N20 | C29 | sing | 1.47Å | 1.45Å | |
| N20 | C19 | sing | 1.47Å | 1.24Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C16 | sing | 1.51Å | 1.55Å | |
| O17 | C16 | doub | 1.21Å | 1.18Å | |
| C16 | N15 | sing | 1.35Å | 1.45Å | |
| N15 | C14 | sing | 1.40Å | 1.48Å | |
| C14 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| O47 | C48 | sing | 1.43Å | 1.41Å | |
| O47 | C46 | sing | 1.36Å | 1.43Å | |
| C31 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | S10 | sing | 1.76Å | 1.84Å | |
| C46 | C49 | doub | 1.39Å | 1.40Å | Aromatic |
| C46 | C45 | sing | 1.39Å | 1.38Å | Aromatic |
| C49 | C50 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| O33 | S10 | doub | 1.42Å | 1.47Å | |
| C50 | C43 | doub | 1.38Å | 1.37Å | Aromatic |
| O32 | S10 | doub | 1.42Å | 1.45Å | |
| S10 | N05 | sing | 1.66Å | 1.77Å | |
| C44 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | S42 | sing | 1.76Å | 1.82Å | |
| N05 | C06 | sing | 1.47Å | 1.46Å | |
| N05 | C04 | sing | 1.40Å | 1.47Å | |
| C34 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | sing | 1.41Å | 1.45Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| O52 | S42 | doub | 1.42Å | 1.46Å | |
| S42 | O51 | doub | 1.42Å | 1.47Å | |
| S42 | N37 | sing | 1.66Å | 1.71Å | |
| N09 | C07 | sing | 1.35Å | 1.45Å | |
| C07 | O08 | doub | 1.21Å | 1.18Å | |
| C03 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
| C03 | C53 | sing | 1.42Å | 1.38Å | Aromatic |
| C36 | C53 | sing | 1.41Å | 1.45Å | Aromatic |
| C36 | N37 | sing | 1.40Å | 1.45Å | |
| C02 | C01 | sing | 1.36Å | 1.40Å | Aromatic |
| C53 | C54 | doub | 1.40Å | 1.43Å | Aromatic |
| N37 | C38 | sing | 1.47Å | 1.47Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C01 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C54 | C55 | sing | 1.36Å | 1.39Å | Aromatic |
| C39 | N41 | sing | 1.35Å | 1.46Å | |
| C39 | O40 | doub | 1.21Å | 1.18Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | 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 | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N09 | H092 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N41 | H411 | sing | 0.97Å | 1.00Å | |
| N41 | H412 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C26 | C27 | 105.2° | 103.6° |
| C26 | O25 | C24 | 106.4° | 107.0° |
| O25 | C26 | H261 | 110.5° | 110.5° |
| O25 | C26 | H262 | 110.5° | 110.6° |
| C26 | C27 | C23 | 107.1° | 102.0° |
| C27 | C26 | H261 | 110.5° | 110.6° |
| C27 | C26 | H262 | 110.5° | 110.6° |
| C26 | C27 | H271 | 110.0° | 110.9° |
| C26 | C27 | H272 | 110.0° | 110.9° |
| O25 | C24 | C23 | 105.9° | 107.1° |
| O25 | C24 | H242 | 110.3° | 109.9° |
| O25 | C24 | H241 | 110.3° | 110.1° |
| C27 | C23 | C22 | 106.9° | 110.1° |
| C27 | C23 | C24 | 108.2° | 104.8° |
| C27 | C23 | C28 | 93.8° | 110.2° |
| C23 | C27 | H271 | 110.1° | 110.9° |
| C23 | C27 | H272 | 110.1° | 110.9° |
| C23 | C22 | C21 | 108.3° | 109.3° |
| C22 | C23 | C24 | 115.3° | 110.5° |
| C22 | C23 | C28 | 115.7° | 110.6° |
| C23 | C22 | H222 | 109.8° | 109.5° |
| C23 | C22 | H221 | 109.7° | 109.5° |
| C22 | C21 | N20 | 114.6° | 109.4° |
| C22 | C21 | H211 | 108.2° | 109.4° |
| C22 | C21 | H212 | 108.2° | 109.5° |
| C21 | C22 | H222 | 109.8° | 109.5° |
| C21 | C22 | H221 | 109.8° | 109.5° |
| C24 | C23 | C28 | 114.1° | 110.5° |
| C23 | C24 | H242 | 110.4° | 109.9° |
| C23 | C24 | H241 | 110.4° | 109.9° |
| C23 | C28 | C29 | 110.0° | 109.3° |
| C23 | C28 | H281 | 109.3° | 109.5° |
| C23 | C28 | H282 | 109.3° | 109.5° |
| C21 | N20 | C29 | 112.5° | 111.3° |
| C21 | N20 | C19 | 105.0° | 111.0° |
| N20 | C21 | H211 | 108.2° | 109.5° |
| N20 | C21 | H212 | 108.2° | 109.5° |
| C28 | C29 | N20 | 114.4° | 109.5° |
| C29 | C28 | H281 | 109.3° | 109.6° |
| C29 | C28 | H282 | 109.3° | 109.5° |
| C28 | C29 | H291 | 108.2° | 109.5° |
| C28 | C29 | H292 | 108.2° | 109.5° |
| C29 | N20 | C19 | 112.3° | 111.0° |
| N20 | C29 | H291 | 108.2° | 109.5° |
| N20 | C29 | H292 | 108.2° | 109.5° |
| N20 | C19 | C18 | 112.3° | 109.5° |
| N20 | C19 | H191 | 108.7° | 109.5° |
| N20 | C19 | H192 | 108.7° | 109.4° |
| C19 | C18 | C16 | 113.1° | 109.5° |
| C19 | C18 | H182 | 108.6° | 109.5° |
| C19 | C18 | H181 | 108.6° | 109.5° |
| C18 | C19 | H191 | 108.8° | 109.5° |
| C18 | C19 | H192 | 108.8° | 109.5° |
| C18 | C16 | O17 | 121.2° | 120.0° |
| C18 | C16 | N15 | 116.5° | 120.0° |
| C16 | C18 | H182 | 108.6° | 109.5° |
| C16 | C18 | H181 | 108.5° | 109.4° |
| O17 | C16 | N15 | 122.3° | 120.0° |
| C16 | N15 | C14 | 122.7° | 120.0° |
| C16 | N15 | H151 | 118.6° | 120.0° |
| N15 | C14 | C30 | 120.7° | 120.1° |
| N15 | C14 | C13 | 117.2° | 120.1° |
| C14 | N15 | H151 | 118.6° | 120.0° |
| C30 | C14 | C13 | 122.0° | 119.8° |
| C14 | C30 | C31 | 118.7° | 119.9° |
| C14 | C30 | H301 | 120.6° | 120.0° |
| C14 | C13 | C12 | 119.2° | 120.0° |
| C14 | C13 | H131 | 120.4° | 120.1° |
| C30 | C31 | C11 | 118.6° | 120.1° |
| C31 | C30 | H301 | 120.6° | 120.1° |
| C30 | C31 | H311 | 120.7° | 120.0° |
| C13 | C12 | C11 | 118.4° | 120.0° |
| C13 | C12 | H121 | 120.8° | 120.0° |
| C12 | C13 | H131 | 120.4° | 120.0° |
| C48 | O47 | C46 | 117.0° | 117.0° |
| O47 | C48 | H483 | 109.5° | 109.4° |
| O47 | C48 | H482 | 109.5° | 109.5° |
| O47 | C48 | H481 | 109.5° | 109.4° |
| O47 | C46 | C49 | 121.7° | 120.1° |
| O47 | C46 | C45 | 118.9° | 120.1° |
| C31 | C11 | C12 | 123.0° | 120.2° |
| C31 | C11 | S10 | 119.2° | 119.9° |
| C11 | C31 | H311 | 120.7° | 119.9° |
| C12 | C11 | S10 | 117.7° | 119.9° |
| C11 | C12 | H121 | 120.8° | 120.0° |
| C11 | S10 | O33 | 108.7° | 106.4° |
| C11 | S10 | O32 | 109.0° | 106.4° |
| C11 | S10 | N05 | 104.0° | 107.3° |
| C49 | C46 | C45 | 119.4° | 119.9° |
| C46 | C49 | C50 | 120.1° | 119.9° |
| C46 | C49 | H491 | 119.9° | 120.0° |
| C46 | C45 | C44 | 120.8° | 119.9° |
| C46 | C45 | H451 | 119.6° | 120.0° |
| C49 | C50 | C43 | 119.2° | 120.1° |
| C50 | C49 | H491 | 119.9° | 120.0° |
| C49 | C50 | H501 | 120.4° | 120.0° |
| C45 | C44 | C43 | 119.2° | 120.1° |
| C45 | C44 | H441 | 120.4° | 120.0° |
| C44 | C45 | H451 | 119.6° | 120.1° |
| O33 | S10 | O32 | 105.9° | 123.2° |
| O33 | S10 | N05 | 111.4° | 106.4° |
| C50 | C43 | C44 | 121.3° | 120.1° |
| C50 | C43 | S42 | 120.9° | 119.9° |
| C43 | C50 | H501 | 120.4° | 120.0° |
| O32 | S10 | N05 | 117.6° | 106.4° |
| S10 | N05 | C06 | 121.6° | 120.0° |
| S10 | N05 | C04 | 113.8° | 120.0° |
| C44 | C43 | S42 | 117.8° | 120.0° |
| C43 | C44 | H441 | 120.4° | 120.0° |
| C43 | S42 | O52 | 111.6° | 106.4° |
| C43 | S42 | O51 | 113.1° | 106.4° |
| C43 | S42 | N37 | 101.4° | 107.2° |
| C06 | N05 | C04 | 123.8° | 120.0° |
| N05 | C06 | C07 | 113.2° | 109.5° |
| N05 | C06 | H061 | 108.6° | 109.4° |
| N05 | C06 | H062 | 108.5° | 109.5° |
| N05 | C04 | C34 | 115.2° | 120.2° |
| N05 | C04 | C03 | 124.3° | 120.1° |
| C04 | C34 | C35 | 120.4° | 120.9° |
| C34 | C04 | C03 | 120.4° | 119.7° |
| C04 | C34 | H341 | 119.8° | 119.6° |
| C34 | C35 | C36 | 120.8° | 120.8° |
| C35 | C34 | H341 | 119.8° | 119.5° |
| C34 | C35 | H351 | 119.6° | 119.6° |
| C06 | C07 | N09 | 119.3° | 120.0° |
| C06 | C07 | O08 | 119.6° | 120.0° |
| C07 | C06 | H061 | 108.5° | 109.5° |
| C07 | C06 | H062 | 108.5° | 109.5° |
| C04 | C03 | C02 | 119.9° | 121.2° |
| C04 | C03 | C53 | 119.1° | 119.5° |
| C35 | C36 | C53 | 119.2° | 119.7° |
| C35 | C36 | N37 | 115.0° | 120.1° |
| C36 | C35 | H351 | 119.6° | 119.6° |
| O52 | S42 | O51 | 106.7° | 123.1° |
| O52 | S42 | N37 | 114.0° | 106.4° |
| O51 | S42 | N37 | 110.2° | 106.4° |
| S42 | N37 | C36 | 115.0° | 120.0° |
| S42 | N37 | C38 | 113.0° | 120.0° |
| N09 | C07 | O08 | 121.1° | 120.0° |
| C07 | N09 | H091 | 120.0° | 120.0° |
| C07 | N09 | H092 | 120.0° | 120.0° |
| C02 | C03 | C53 | 121.0° | 119.4° |
| C03 | C02 | C01 | 119.2° | 119.7° |
| C03 | C02 | H021 | 120.4° | 120.2° |
| C03 | C53 | C36 | 120.0° | 119.5° |
| C03 | C53 | C54 | 119.0° | 119.4° |
| C53 | C36 | N37 | 125.5° | 120.2° |
| C36 | C53 | C54 | 120.9° | 121.2° |
| C36 | N37 | C38 | 130.9° | 120.0° |
| C02 | C01 | C55 | 120.0° | 121.0° |
| C02 | C01 | H011 | 120.0° | 119.5° |
| C01 | C02 | H021 | 120.4° | 120.1° |
| C53 | C54 | C55 | 119.9° | 119.7° |
| C53 | C54 | H541 | 120.1° | 120.1° |
| N37 | C38 | C39 | 118.8° | 109.4° |
| N37 | C38 | H382 | 107.1° | 109.5° |
| N37 | C38 | H381 | 107.1° | 109.5° |
| C38 | C39 | N41 | 119.0° | 120.0° |
| C38 | C39 | O40 | 121.2° | 120.0° |
| C39 | C38 | H382 | 107.1° | 109.4° |
| C39 | C38 | H381 | 107.1° | 109.5° |
| C01 | C55 | C54 | 120.9° | 121.0° |
| C55 | C01 | H011 | 120.0° | 119.5° |
| C01 | C55 | H551 | 119.6° | 119.6° |
| C55 | C54 | H541 | 120.0° | 120.2° |
| C54 | C55 | H551 | 119.6° | 119.5° |
| N41 | C39 | O40 | 119.8° | 120.0° |
| C39 | N41 | H411 | 120.0° | 120.0° |
| C39 | N41 | H412 | 120.0° | 119.9° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 110.0° |
| H261 | C26 | H262 | 109.5° | 110.7° |
| H271 | C27 | H272 | 109.5° | 110.9° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H483 | C48 | H482 | 109.5° | 109.5° |
| H483 | C48 | H481 | 109.4° | 109.5° |
| H482 | C48 | H481 | 109.5° | 109.5° |
| H091 | N09 | H092 | 120.0° | 120.0° |
| H411 | N41 | H412 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C26 | C27 | H261 | 119.3° | 118.5° |
| O25 | C26 | C27 | H262 | 119.3° | 118.5° |
| O25 | C26 | C27 | C23 | 8.2° | 36.6° |
| C26 | O25 | C24 | C23 | 27.0° | 26.4° |
| C26 | O25 | C24 | H242 | 146.5° | 92.9° |
| C26 | O25 | C24 | H241 | 92.4° | 145.8° |
| O25 | C26 | H261 | H262 | 122.0° | 122.9° |
| O25 | C26 | C27 | H271 | 127.9° | 81.6° |
| O25 | C26 | C27 | H272 | 111.4° | 154.7° |
| C27 | C26 | O25 | C24 | 23.4° | 39.7° |
| C26 | C27 | C23 | H271 | 119.6° | 118.2° |
| C26 | C27 | C23 | H272 | 119.6° | 118.1° |
| C26 | C27 | C23 | C22 | 117.5° | 139.4° |
| C26 | C27 | C23 | C24 | 7.2° | 20.6° |
| C26 | C27 | C23 | C28 | 124.2° | 98.3° |
| C27 | C26 | H261 | H262 | 122.0° | 123.0° |
| C26 | C27 | H271 | H272 | 121.1° | 123.7° |
| O25 | C24 | C23 | C27 | 23.0° | 2.1° |
| O25 | C24 | C23 | C22 | 96.6° | 116.5° |
| O25 | C24 | C23 | H242 | 119.4° | 119.4° |
| O25 | C24 | C23 | H241 | 119.4° | 119.5° |
| O25 | C24 | C23 | C28 | 125.9° | 120.8° |
| O25 | C24 | H242 | H241 | 121.6° | 121.3° |
| C24 | O25 | C26 | H261 | 95.9° | 158.3° |
| C24 | O25 | C26 | H262 | 142.7° | 78.8° |
| C27 | C23 | C22 | C24 | 120.3° | 115.3° |
| C27 | C23 | C22 | C28 | 102.9° | 122.0° |
| C27 | C23 | C22 | C21 | 157.9° | 178.2° |
| C27 | C23 | C24 | C28 | 102.9° | 118.6° |
| C27 | C23 | C28 | C29 | 163.7° | 178.1° |
| C27 | C23 | C22 | H222 | 38.1° | 61.9° |
| C27 | C23 | C22 | H221 | 82.3° | 58.2° |
| C27 | C23 | C24 | H242 | 142.4° | 117.2° |
| C27 | C23 | C24 | H241 | 96.4° | 121.7° |
| C23 | C27 | C26 | H261 | 111.1° | 155.0° |
| C23 | C27 | C26 | H262 | 127.5° | 81.9° |
| C23 | C27 | H271 | H272 | 121.2° | 123.8° |
| C27 | C23 | C28 | H281 | 76.3° | 61.8° |
| C27 | C23 | C28 | H282 | 43.6° | 58.2° |
| C23 | C22 | C21 | H222 | 119.9° | 119.9° |
| C23 | C22 | C21 | H221 | 119.8° | 120.0° |
| C22 | C23 | C24 | C28 | 137.5° | 122.8° |
| C23 | C22 | C21 | N20 | 53.3° | 58.2° |
| C22 | C23 | C28 | C29 | 52.8° | 56.1° |
| C23 | C22 | C21 | H211 | 174.1° | 178.2° |
| C23 | C22 | C21 | H212 | 67.4° | 61.8° |
| C23 | C22 | H222 | H221 | 120.5° | 120.1° |
| C22 | C23 | C24 | H242 | 22.8° | 124.2° |
| C22 | C23 | C24 | H241 | 144.0° | 3.1° |
| C22 | C23 | C27 | H271 | 122.9° | 21.3° |
| C22 | C23 | C27 | H272 | 2.1° | 102.5° |
| C22 | C23 | C28 | H281 | 172.9° | 176.2° |
| C22 | C23 | C28 | H282 | 67.2° | 63.8° |
| C21 | C22 | C23 | C24 | 81.8° | 66.6° |
| C21 | C22 | C23 | C28 | 55.0° | 56.1° |
| C22 | C21 | N20 | H211 | 120.8° | 120.0° |
| C22 | C21 | N20 | H212 | 120.8° | 120.0° |
| C22 | C21 | N20 | C29 | 51.2° | 62.2° |
| C22 | C21 | N20 | C19 | 173.7° | 173.6° |
| C22 | C21 | H211 | H212 | 117.7° | 120.0° |
| C21 | C22 | H222 | H221 | 120.5° | 120.1° |
| C24 | C23 | C28 | C29 | 84.5° | 66.6° |
| C24 | C23 | C22 | H222 | 158.4° | 53.4° |
| C24 | C23 | C22 | H221 | 38.0° | 173.5° |
| C23 | C24 | H242 | H241 | 121.7° | 121.1° |
| C24 | C23 | C27 | H271 | 112.4° | 97.6° |
| C24 | C23 | C27 | H272 | 126.8° | 138.7° |
| C24 | C23 | C28 | H281 | 35.6° | 53.4° |
| C24 | C23 | C28 | H282 | 155.5° | 173.4° |
| C23 | C28 | C29 | H281 | 120.1° | 120.0° |
| C23 | C28 | C29 | H282 | 120.1° | 119.9° |
| C23 | C28 | C29 | N20 | 47.7° | 58.2° |
| C28 | C23 | C22 | H222 | 64.8° | 176.1° |
| C28 | C23 | C22 | H221 | 174.8° | 63.8° |
| C28 | C23 | C24 | H242 | 114.6° | 1.4° |
| C28 | C23 | C24 | H241 | 6.5° | 119.7° |
| C28 | C23 | C27 | H271 | 4.6° | 143.6° |
| C28 | C23 | C27 | H272 | 116.2° | 19.8° |
| C23 | C28 | H281 | H282 | 119.8° | 120.0° |
| C23 | C28 | C29 | H291 | 73.0° | 61.9° |
| C23 | C28 | C29 | H292 | 168.4° | 178.2° |
| C21 | N20 | C29 | C28 | 48.0° | 62.2° |
| C21 | N20 | C29 | C19 | 118.3° | 124.2° |
| C21 | N20 | C19 | C18 | 168.6° | 170.0° |
| C21 | N20 | C19 | H191 | 48.1° | 70.0° |
| C21 | N20 | C19 | H192 | 71.0° | 49.9° |
| N20 | C21 | H211 | H212 | 117.7° | 120.1° |
| N20 | C21 | C22 | H222 | 66.5° | 178.1° |
| N20 | C21 | C22 | H221 | 173.2° | 61.8° |
| C21 | N20 | C29 | H291 | 72.7° | 57.8° |
| C21 | N20 | C29 | H292 | 168.7° | 177.8° |
| C28 | C29 | N20 | H291 | 120.7° | 120.0° |
| C28 | C29 | N20 | H292 | 120.7° | 120.0° |
| C28 | C29 | N20 | C19 | 166.2° | 173.6° |
| C29 | C28 | H281 | H282 | 119.7° | 120.1° |
| C28 | C29 | H291 | H292 | 117.8° | 120.0° |
| C29 | N20 | C19 | C18 | 68.9° | 65.7° |
| C29 | N20 | C19 | H191 | 170.7° | 54.4° |
| C29 | N20 | C19 | H192 | 51.6° | 174.3° |
| C29 | N20 | C21 | H211 | 172.0° | 177.8° |
| C29 | N20 | C21 | H212 | 69.5° | 57.8° |
| N20 | C29 | C28 | H281 | 167.8° | 178.1° |
| N20 | C29 | C28 | H282 | 72.4° | 61.8° |
| N20 | C29 | H291 | H292 | 117.7° | 120.0° |
| N20 | C19 | C18 | H191 | 120.4° | 120.0° |
| N20 | C19 | C18 | H192 | 120.4° | 120.0° |
| N20 | C19 | C18 | C16 | 97.1° | 180.0° |
| N20 | C19 | C18 | H182 | 23.4° | 60.0° |
| N20 | C19 | C18 | H181 | 142.4° | 60.0° |
| N20 | C19 | H191 | H192 | 118.7° | 119.9° |
| C19 | N20 | C21 | H211 | 65.5° | 53.6° |
| C19 | N20 | C21 | H212 | 53.0° | 66.4° |
| C19 | N20 | C29 | H291 | 45.5° | 66.4° |
| C19 | N20 | C29 | H292 | 73.0° | 53.6° |
| C19 | C18 | C16 | H182 | 120.6° | 120.1° |
| C19 | C18 | C16 | H181 | 120.5° | 120.0° |
| C19 | C18 | C16 | O17 | 22.9° | 0.0° |
| C19 | C18 | C16 | N15 | 155.9° | 180.0° |
| C19 | C18 | H182 | H181 | 118.4° | 120.1° |
| C18 | C19 | H191 | H192 | 118.7° | 120.1° |
| C18 | C16 | O17 | N15 | 178.8° | 180.0° |
| C18 | C16 | N15 | C14 | 179.4° | 174.9° |
| C16 | C18 | H182 | H181 | 118.3° | 119.9° |
| C16 | C18 | C19 | H191 | 142.5° | 60.0° |
| C16 | C18 | C19 | H192 | 23.3° | 60.0° |
| C18 | C16 | N15 | H151 | 0.6° | 5.2° |
| O17 | C16 | N15 | C14 | 1.8° | 5.1° |
| O17 | C16 | C18 | H182 | 143.5° | 120.0° |
| O17 | C16 | C18 | H181 | 97.6° | 120.0° |
| O17 | C16 | N15 | H151 | 178.2° | 174.8° |
| C16 | N15 | C14 | H151 | 180.0° | 179.9° |
| C16 | N15 | C14 | C30 | 34.8° | 33.4° |
| C16 | N15 | C14 | C13 | 147.8° | 146.4° |
| N15 | C16 | C18 | H182 | 35.4° | 60.0° |
| N15 | C16 | C18 | H181 | 83.5° | 60.0° |
| N15 | C14 | C30 | C13 | 177.3° | 179.8° |
| N15 | C14 | C30 | C31 | 178.2° | 180.0° |
| N15 | C14 | C13 | C12 | 178.6° | 179.8° |
| N15 | C14 | C13 | H131 | 1.5° | 0.2° |
| N15 | C14 | C30 | H301 | 1.8° | 0.2° |
| C14 | C30 | C31 | H301 | 180.0° | 179.8° |
| C30 | C14 | C13 | C12 | 1.1° | 0.0° |
| C14 | C30 | C31 | C11 | 0.4° | 0.5° |
| C30 | C14 | C13 | H131 | 178.9° | 180.0° |
| C14 | C30 | C31 | H311 | 179.6° | 180.0° |
| C30 | C14 | N15 | H151 | 145.3° | 146.7° |
| C13 | C14 | C30 | C31 | 0.9° | 0.2° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H121 | 179.9° | 180.0° |
| C13 | C14 | C30 | H301 | 179.1° | 180.0° |
| C13 | C14 | N15 | H151 | 32.2° | 33.5° |
| C30 | C31 | C11 | H311 | 180.0° | 179.5° |
| C30 | C31 | C11 | C12 | 1.5° | 0.5° |
| C30 | C31 | C11 | S10 | 179.4° | 179.7° |
| C13 | C12 | C11 | C31 | 1.2° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | S10 | 179.6° | 179.9° |
| C48 | O47 | C46 | C49 | 131.6° | 180.0° |
| C48 | O47 | C46 | C45 | 48.3° | 0.3° |
| O47 | C48 | H483 | H482 | 120.0° | 120.0° |
| O47 | C48 | H483 | H481 | 120.0° | 120.0° |
| O47 | C48 | H482 | H481 | 120.0° | 120.0° |
| O47 | C46 | C49 | C45 | 179.9° | 179.7° |
| O47 | C46 | C49 | C50 | 180.0° | 180.0° |
| O47 | C46 | C45 | C44 | 179.6° | 179.7° |
| O47 | C46 | C45 | H451 | 0.4° | 0.3° |
| C46 | O47 | C48 | H483 | 180.0° | 60.0° |
| C46 | O47 | C48 | H482 | 60.0° | 60.0° |
| C46 | O47 | C48 | H481 | 60.0° | 180.0° |
| O47 | C46 | C49 | H491 | 0.0° | 0.3° |
| C31 | C11 | C12 | S10 | 179.1° | 179.8° |
| C31 | C11 | S10 | O33 | 144.1° | 156.2° |
| C31 | C11 | S10 | O32 | 29.2° | 23.3° |
| C31 | C11 | S10 | N05 | 97.1° | 90.3° |
| C31 | C11 | C12 | H121 | 178.8° | 179.7° |
| C11 | C31 | C30 | H301 | 179.6° | 179.7° |
| C12 | C11 | S10 | O33 | 36.7° | 23.6° |
| C12 | C11 | S10 | O32 | 151.7° | 156.5° |
| C12 | C11 | S10 | N05 | 82.1° | 90.0° |
| C11 | C12 | C13 | H131 | 179.9° | 180.0° |
| C12 | C11 | C31 | H311 | 178.6° | 180.0° |
| C11 | S10 | O33 | O32 | 117.0° | 122.9° |
| C11 | S10 | O33 | N05 | 114.1° | 114.1° |
| C11 | S10 | O32 | N05 | 118.0° | 114.1° |
| C11 | S10 | N05 | C06 | 82.3° | 90.0° |
| C11 | S10 | N05 | C04 | 88.4° | 90.0° |
| S10 | C11 | C12 | H121 | 0.4° | 0.0° |
| S10 | C11 | C31 | H311 | 0.6° | 0.2° |
| C46 | C49 | C50 | H491 | 180.0° | 179.7° |
| C49 | C46 | C45 | C44 | 0.5° | 0.0° |
| C46 | C49 | C50 | C43 | 1.0° | 0.5° |
| C49 | C46 | C45 | H451 | 179.5° | 180.0° |
| C46 | C49 | C50 | H501 | 179.0° | 180.0° |
| C45 | C46 | C49 | C50 | 0.1° | 0.3° |
| C46 | C45 | C44 | H451 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 0.2° | 0.0° |
| C46 | C45 | C44 | H441 | 179.8° | 180.0° |
| C45 | C46 | C49 | H491 | 180.0° | 180.0° |
| C49 | C50 | C43 | H501 | 180.0° | 179.5° |
| C49 | C50 | C43 | C44 | 1.7° | 0.5° |
| C49 | C50 | C43 | S42 | 179.6° | 179.7° |
| C45 | C44 | C43 | C50 | 1.3° | 0.3° |
| C45 | C44 | C43 | H441 | 180.0° | 180.0° |
| C45 | C44 | C43 | S42 | 179.9° | 180.0° |
| O33 | S10 | O32 | N05 | 125.3° | 123.0° |
| O33 | S10 | N05 | C06 | 34.6° | 156.5° |
| O33 | S10 | N05 | C04 | 154.6° | 23.5° |
| C50 | C43 | C44 | S42 | 178.8° | 179.8° |
| C50 | C43 | S42 | O52 | 28.1° | 156.2° |
| C50 | C43 | S42 | O51 | 148.4° | 23.3° |
| C50 | C43 | S42 | N37 | 93.7° | 90.2° |
| C50 | C43 | C44 | H441 | 178.7° | 179.8° |
| C43 | C50 | C49 | H491 | 179.0° | 179.8° |
| O32 | S10 | N05 | C06 | 157.1° | 23.6° |
| O32 | S10 | N05 | C04 | 32.1° | 156.5° |
| S10 | N05 | C06 | C04 | 169.8° | 179.9° |
| S10 | N05 | C04 | C34 | 94.0° | 94.1° |
| S10 | N05 | C06 | C07 | 89.2° | 94.7° |
| S10 | N05 | C04 | C03 | 83.1° | 85.8° |
| S10 | N05 | C06 | H061 | 31.4° | 145.3° |
| S10 | N05 | C06 | H062 | 150.3° | 25.3° |
| C44 | C43 | S42 | O52 | 153.1° | 23.6° |
| C44 | C43 | S42 | O51 | 32.8° | 156.5° |
| C44 | C43 | S42 | N37 | 85.1° | 90.0° |
| C43 | C44 | C45 | H451 | 179.8° | 180.0° |
| C44 | C43 | C50 | H501 | 178.3° | 180.0° |
| C43 | S42 | O52 | O51 | 124.0° | 123.0° |
| C43 | S42 | O52 | N37 | 114.1° | 114.1° |
| C43 | S42 | O51 | N37 | 112.6° | 114.1° |
| C43 | S42 | N37 | C36 | 81.4° | 90.0° |
| C43 | S42 | N37 | C38 | 87.9° | 90.0° |
| S42 | C43 | C44 | H441 | 0.1° | 0.0° |
| S42 | C43 | C50 | H501 | 0.4° | 0.2° |
| C06 | N05 | C04 | C34 | 76.6° | 85.8° |
| N05 | C06 | C07 | H061 | 120.6° | 120.0° |
| N05 | C06 | C07 | H062 | 120.5° | 120.0° |
| C06 | N05 | C04 | C03 | 106.4° | 94.3° |
| N05 | C06 | C07 | N09 | 19.7° | 174.5° |
| N05 | C06 | C07 | O08 | 161.6° | 5.4° |
| N05 | C06 | H061 | H062 | 118.3° | 120.0° |
| N05 | C04 | C34 | C03 | 177.2° | 179.9° |
| N05 | C04 | C34 | C35 | 178.0° | 179.9° |
| C04 | N05 | C06 | C07 | 101.0° | 85.3° |
| N05 | C04 | C03 | C02 | 2.9° | 0.0° |
| N05 | C04 | C03 | C53 | 176.6° | 179.9° |
| C04 | N05 | C06 | H061 | 138.5° | 34.7° |
| C04 | N05 | C06 | H062 | 19.6° | 154.7° |
| N05 | C04 | C34 | H341 | 2.0° | 0.1° |
| C04 | C34 | C35 | H341 | 180.0° | 180.0° |
| C04 | C34 | C35 | C36 | 1.4° | 0.0° |
| C34 | C04 | C03 | C02 | 179.8° | 180.0° |
| C34 | C04 | C03 | C53 | 0.3° | 0.0° |
| C04 | C34 | C35 | H351 | 178.6° | 180.0° |
| C35 | C34 | C04 | C03 | 0.8° | 0.0° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C53 | 4.7° | 0.1° |
| C34 | C35 | C36 | N37 | 178.1° | 179.9° |
| C06 | C07 | N09 | O08 | 178.7° | 179.9° |
| C07 | C06 | H061 | H062 | 118.3° | 120.0° |
| C06 | C07 | N09 | H091 | 178.7° | 0.1° |
| C06 | C07 | N09 | H092 | 1.2° | 180.0° |
| C04 | C03 | C02 | C53 | 179.5° | 180.0° |
| C04 | C03 | C53 | C36 | 3.6° | 0.0° |
| C04 | C03 | C02 | C01 | 179.8° | 180.0° |
| C04 | C03 | C53 | C54 | 179.7° | 180.0° |
| C04 | C03 | C02 | H021 | 0.2° | 0.0° |
| C03 | C04 | C34 | H341 | 179.2° | 180.0° |
| C35 | C36 | N37 | S42 | 98.8° | 93.7° |
| C35 | C36 | C53 | C03 | 5.8° | 0.0° |
| C35 | C36 | C53 | N37 | 172.7° | 180.0° |
| C35 | C36 | C53 | C54 | 178.2° | 180.0° |
| C35 | C36 | N37 | C38 | 68.1° | 86.4° |
| C36 | C35 | C34 | H341 | 178.6° | 180.0° |
| O52 | S42 | O51 | N37 | 124.3° | 122.9° |
| O52 | S42 | N37 | C36 | 38.6° | 156.4° |
| O52 | S42 | N37 | C38 | 152.1° | 23.6° |
| O51 | S42 | N37 | C36 | 158.6° | 23.6° |
| O51 | S42 | N37 | C38 | 32.2° | 156.5° |
| S42 | N37 | C36 | C53 | 74.2° | 86.3° |
| S42 | N37 | C36 | C38 | 166.9° | 180.0° |
| S42 | N37 | C38 | C39 | 136.6° | 94.2° |
| S42 | N37 | C38 | H382 | 102.1° | 145.9° |
| S42 | N37 | C38 | H381 | 15.3° | 25.8° |
| N09 | C07 | C06 | H061 | 100.9° | 54.5° |
| N09 | C07 | C06 | H062 | 140.2° | 65.5° |
| C07 | N09 | H091 | H092 | 180.0° | 180.0° |
| O08 | C07 | C06 | H061 | 77.8° | 125.4° |
| O08 | C07 | C06 | H062 | 41.1° | 114.6° |
| O08 | C07 | N09 | H091 | 0.0° | 180.0° |
| O08 | C07 | N09 | H092 | 180.0° | 0.1° |
| C02 | C03 | C53 | C36 | 177.0° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C02 | C03 | C53 | C54 | 0.8° | 0.0° |
| C03 | C02 | C01 | C55 | 0.2° | 0.0° |
| C03 | C02 | C01 | H011 | 179.8° | 179.7° |
| C03 | C53 | C36 | C54 | 176.1° | 180.0° |
| C03 | C53 | C36 | N37 | 178.5° | 180.0° |
| C53 | C03 | C02 | C01 | 0.7° | 0.0° |
| C03 | C53 | C54 | C55 | 0.0° | 0.1° |
| C53 | C03 | C02 | H021 | 179.2° | 179.9° |
| C03 | C53 | C54 | H541 | 180.0° | 180.0° |
| C53 | C36 | N37 | C38 | 119.0° | 93.6° |
| C36 | C53 | C54 | C55 | 176.1° | 180.0° |
| C53 | C36 | C35 | H351 | 175.4° | 180.0° |
| C36 | C53 | C54 | H541 | 3.9° | 0.0° |
| N37 | C36 | C53 | C54 | 5.5° | 0.0° |
| C36 | N37 | C38 | C39 | 56.3° | 85.8° |
| N37 | C36 | C35 | H351 | 1.9° | 0.0° |
| C36 | N37 | C38 | H382 | 65.0° | 34.1° |
| C36 | N37 | C38 | H381 | 177.7° | 154.2° |
| C02 | C01 | C55 | H011 | 180.0° | 179.7° |
| C02 | C01 | C55 | C54 | 1.1° | 0.0° |
| C02 | C01 | C55 | H551 | 178.9° | 179.7° |
| C53 | C54 | C55 | C01 | 1.0° | 0.0° |
| C53 | C54 | C55 | H541 | 180.0° | 180.0° |
| C53 | C54 | C55 | H551 | 179.0° | 179.7° |
| N37 | C38 | C39 | H382 | 121.3° | 120.0° |
| N37 | C38 | C39 | H381 | 121.4° | 120.0° |
| N37 | C38 | C39 | N41 | 94.2° | 174.1° |
| N37 | C38 | C39 | O40 | 86.4° | 5.9° |
| N37 | C38 | H382 | H381 | 115.8° | 120.0° |
| C38 | C39 | N41 | O40 | 179.4° | 179.9° |
| C39 | C38 | H382 | H381 | 115.8° | 120.0° |
| C38 | C39 | N41 | H411 | 179.4° | 0.1° |
| C38 | C39 | N41 | H412 | 0.6° | 180.0° |
| C01 | C55 | C54 | H551 | 180.0° | 179.7° |
| C55 | C01 | C02 | H021 | 179.8° | 180.0° |
| C01 | C55 | C54 | H541 | 179.0° | 180.0° |
| C54 | C55 | C01 | H011 | 178.9° | 179.7° |
| N41 | C39 | C38 | H382 | 27.1° | 54.1° |
| N41 | C39 | C38 | H381 | 144.5° | 65.9° |
| C39 | N41 | H411 | H412 | 180.0° | 179.9° |
| O40 | C39 | C38 | H382 | 152.3° | 125.9° |
| O40 | C39 | C38 | H381 | 34.9° | 114.1° |
| O40 | C39 | N41 | H411 | 0.0° | 180.0° |
| O40 | C39 | N41 | H412 | 180.0° | 0.1° |
| H011 | C01 | C02 | H021 | 0.2° | 0.4° |
| H011 | C01 | C55 | H551 | 1.1° | 0.0° |
| H121 | C12 | C13 | H131 | 0.1° | 0.0° |
| H182 | C18 | C19 | H191 | 97.0° | 180.0° |
| H182 | C18 | C19 | H192 | 143.9° | 60.0° |
| H181 | C18 | C19 | H191 | 22.0° | 60.0° |
| H181 | C18 | C19 | H192 | 97.2° | NaN° |
| H211 | C21 | C22 | H222 | 54.3° | 61.9° |
| H211 | C21 | C22 | H221 | 66.1° | 58.2° |
| H212 | C21 | C22 | H222 | 172.8° | 58.1° |
| H212 | C21 | C22 | H221 | 52.4° | 178.2° |
| H261 | C26 | C27 | H271 | 8.5° | 36.9° |
| H261 | C26 | C27 | H272 | 129.2° | 86.8° |
| H262 | C26 | C27 | H271 | 112.8° | 159.9° |
| H262 | C26 | C27 | H272 | 7.9° | 36.2° |
| H281 | C28 | C29 | H291 | 47.1° | 58.1° |
| H281 | C28 | C29 | H292 | 71.5° | 61.9° |
| H282 | C28 | C29 | H291 | 166.9° | 178.2° |
| H282 | C28 | C29 | H292 | 48.3° | 58.2° |
| H301 | C30 | C31 | H311 | 0.4° | 0.2° |
| H341 | C34 | C35 | H351 | 1.4° | 0.0° |
| H441 | C44 | C45 | H451 | 0.2° | 0.0° |
| H483 | C48 | H482 | H481 | 120.0° | 120.1° |
| H491 | C49 | C50 | H501 | 1.0° | 0.3° |
| H541 | C54 | C55 | H551 | 1.0° | 0.3° |
