OQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | O24 | sing | 1.45Å | 1.40Å | |
| O26 | C23 | doub | 1.22Å | 1.19Å | |
| C23 | O24 | sing | 1.35Å | 1.40Å | |
| C23 | N22 | sing | 1.35Å | 1.45Å | |
| C29 | C30 | doub | 1.38Å | 1.52Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.52Å | Aromatic |
| C34 | C25 | sing | 1.53Å | 1.53Å | |
| O10 | C05 | sing | 1.43Å | 1.40Å | |
| N22 | C21 | sing | 1.46Å | 1.45Å | |
| C21 | C25 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.51Å | 1.53Å | |
| N01 | C02 | sing | 1.46Å | 1.45Å | |
| N01 | C19 | sing | 1.35Å | 1.45Å | |
| C04 | C28 | sing | 1.51Å | 1.52Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C28 | C33 | doub | 1.38Å | 1.52Å | Aromatic |
| C03 | C05 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | doub | 1.38Å | 1.52Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C25 | C44 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | doub | 1.21Å | 1.19Å | |
| C33 | C32 | sing | 1.38Å | 1.52Å | Aromatic |
| C06 | C11 | sing | 1.53Å | 1.52Å | |
| C06 | N07 | sing | 1.47Å | 1.45Å | |
| C11 | C13 | sing | 1.51Å | 1.52Å | |
| N07 | C08 | sing | 1.35Å | 1.45Å | |
| C08 | O09 | sing | 1.35Å | 1.40Å | |
| C08 | O12 | doub | 1.22Å | 1.19Å | |
| C13 | C14 | doub | 1.38Å | 1.52Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.52Å | Aromatic |
| O09 | C35 | sing | 1.45Å | 1.49Å | |
| C14 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
| C36 | O37 | sing | 1.44Å | 1.50Å | |
| C36 | C35 | sing | 1.54Å | 1.22Å | |
| O37 | C38 | sing | 1.44Å | 1.54Å | |
| C18 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
| C35 | C39 | sing | 1.54Å | 1.64Å | |
| C41 | O40 | sing | 1.44Å | 1.29Å | |
| C41 | C42 | sing | 1.55Å | 1.45Å | |
| O40 | C38 | sing | 1.43Å | 1.63Å | |
| C15 | C16 | doub | 1.38Å | 1.52Å | Aromatic |
| C38 | C39 | sing | 1.55Å | 1.21Å | |
| C42 | C39 | sing | 1.55Å | 1.59Å | |
| C17 | C16 | sing | 1.38Å | 1.52Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | 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 | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | O24 | C23 | 115.6° | 117.0° |
| O24 | C43 | H432 | 109.5° | 109.5° |
| O24 | C43 | H431 | 109.5° | 109.4° |
| O24 | C43 | H433 | 109.5° | 109.5° |
| O26 | C23 | O24 | 121.3° | 120.0° |
| O26 | C23 | N22 | 121.1° | 120.0° |
| O24 | C23 | N22 | 117.6° | 120.0° |
| C23 | N22 | C21 | 121.0° | 120.0° |
| C23 | N22 | H221 | 119.5° | 120.0° |
| C30 | C29 | C28 | 120.0° | 120.0° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C30 | C29 | H291 | 120.0° | 119.9° |
| C29 | C30 | H301 | 120.0° | 120.1° |
| C29 | C28 | C04 | 119.9° | 120.0° |
| C29 | C28 | C33 | 120.0° | 120.0° |
| C28 | C29 | H291 | 120.0° | 120.0° |
| C30 | C31 | C32 | 120.0° | 119.9° |
| C31 | C30 | H301 | 120.0° | 119.9° |
| C30 | C31 | H311 | 120.0° | 120.1° |
| C34 | C25 | C21 | 107.3° | 109.5° |
| C34 | C25 | C44 | 108.9° | 109.5° |
| C34 | C25 | C27 | 109.3° | 109.5° |
| C25 | C34 | H342 | 109.5° | 109.5° |
| C25 | C34 | H343 | 109.5° | 109.5° |
| C25 | C34 | H341 | 109.5° | 109.5° |
| O10 | C05 | C03 | 107.3° | 109.5° |
| O10 | C05 | C06 | 109.9° | 109.5° |
| O10 | C05 | H051 | 110.7° | 109.5° |
| C05 | O10 | H101 | 109.5° | 114.0° |
| N22 | C21 | C25 | 109.1° | 109.5° |
| N22 | C21 | C19 | 107.3° | 109.5° |
| N22 | C21 | H211 | 109.5° | 109.5° |
| C21 | N22 | H221 | 119.5° | 120.0° |
| C25 | C21 | C19 | 114.0° | 109.5° |
| C21 | C25 | C44 | 108.9° | 109.5° |
| C21 | C25 | C27 | 112.7° | 109.5° |
| C25 | C21 | H211 | 108.5° | 109.5° |
| C21 | C19 | N01 | 116.8° | 120.0° |
| C21 | C19 | O20 | 122.3° | 120.0° |
| C19 | C21 | H211 | 108.5° | 109.5° |
| C02 | N01 | C19 | 121.9° | 120.0° |
| N01 | C02 | C04 | 108.0° | 109.5° |
| N01 | C02 | C03 | 111.8° | 109.5° |
| N01 | C02 | H021 | 111.0° | 109.5° |
| C02 | N01 | H011 | 119.0° | 120.0° |
| N01 | C19 | O20 | 120.9° | 120.0° |
| C19 | N01 | H011 | 119.0° | 120.0° |
| C28 | C04 | C02 | 111.5° | 109.5° |
| C04 | C28 | C33 | 120.1° | 120.0° |
| C28 | C04 | H042 | 109.0° | 109.5° |
| C28 | C04 | H041 | 109.0° | 109.5° |
| C04 | C02 | C03 | 105.9° | 109.5° |
| C04 | C02 | H021 | 109.9° | 109.4° |
| C02 | C04 | H042 | 109.0° | 109.5° |
| C02 | C04 | H041 | 109.0° | 109.5° |
| C28 | C33 | C32 | 120.1° | 120.0° |
| C28 | C33 | H331 | 120.0° | 120.0° |
| C05 | C03 | C02 | 112.1° | 109.4° |
| C03 | C05 | C06 | 111.2° | 109.4° |
| C05 | C03 | H032 | 108.8° | 109.5° |
| C05 | C03 | H031 | 108.8° | 109.5° |
| C03 | C05 | H051 | 108.9° | 109.4° |
| C03 | C02 | H021 | 110.0° | 109.5° |
| C02 | C03 | H032 | 108.8° | 109.5° |
| C02 | C03 | H031 | 108.8° | 109.4° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C32 | C31 | H311 | 120.0° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.0° |
| C05 | C06 | C11 | 107.9° | 109.4° |
| C05 | C06 | N07 | 110.5° | 109.5° |
| C06 | C05 | H051 | 108.8° | 109.5° |
| C05 | C06 | H061 | 109.8° | 109.5° |
| C44 | C25 | C27 | 109.7° | 109.5° |
| C25 | C44 | H443 | 109.5° | 109.4° |
| C25 | C44 | H442 | 109.5° | 109.5° |
| C25 | C44 | H441 | 109.4° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.4° | 109.5° |
| C25 | C27 | H273 | 109.4° | 109.5° |
| C33 | C32 | H321 | 120.0° | 119.9° |
| C32 | C33 | H331 | 120.0° | 120.0° |
| C11 | C06 | N07 | 107.6° | 109.5° |
| C06 | C11 | C13 | 108.7° | 109.5° |
| C11 | C06 | H061 | 109.9° | 109.5° |
| C06 | C11 | H111 | 109.6° | 109.5° |
| C06 | C11 | H112 | 109.6° | 109.5° |
| C06 | N07 | C08 | 122.6° | 120.0° |
| N07 | C06 | H061 | 111.0° | 109.5° |
| C06 | N07 | H071 | 118.7° | 120.0° |
| C11 | C13 | C14 | 120.4° | 120.0° |
| C11 | C13 | C18 | 119.7° | 120.0° |
| C13 | C11 | H111 | 109.7° | 109.5° |
| C13 | C11 | H112 | 109.7° | 109.5° |
| N07 | C08 | O09 | 115.4° | 120.0° |
| N07 | C08 | O12 | 122.1° | 120.0° |
| C08 | N07 | H071 | 118.7° | 120.0° |
| O09 | C08 | O12 | 122.5° | 120.0° |
| C08 | O09 | C35 | 119.6° | 117.0° |
| C14 | C13 | C18 | 119.9° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | H141 | 120.1° | 120.0° |
| C13 | C18 | C17 | 120.0° | 120.0° |
| C13 | C18 | H181 | 120.0° | 119.9° |
| O09 | C35 | C36 | 108.3° | 110.6° |
| O09 | C35 | C39 | 109.4° | 110.5° |
| O09 | C35 | H351 | 110.4° | 110.4° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H151 | 120.0° | 120.0° |
| C15 | C14 | H141 | 120.0° | 120.0° |
| O37 | C36 | C35 | 103.9° | 104.8° |
| C36 | O37 | C38 | 104.2° | 106.0° |
| O37 | C36 | H361 | 110.8° | 110.4° |
| O37 | C36 | H362 | 110.9° | 110.3° |
| C36 | C35 | C39 | 104.8° | 104.1° |
| C36 | C35 | H351 | 115.2° | 110.5° |
| C35 | C36 | H361 | 110.8° | 110.4° |
| C35 | C36 | H362 | 110.8° | 110.4° |
| O37 | C38 | O40 | 110.3° | 109.1° |
| O37 | C38 | C39 | 106.8° | 104.9° |
| O37 | C38 | H381 | 109.0° | 111.8° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H171 | 119.9° | 120.0° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C35 | C39 | C38 | 106.8° | 104.4° |
| C35 | C39 | C42 | 110.9° | 109.1° |
| C39 | C35 | H351 | 108.5° | 110.5° |
| C35 | C39 | H391 | 108.4° | 113.1° |
| O40 | C41 | C42 | 104.9° | 105.5° |
| C41 | O40 | C38 | 107.8° | 110.2° |
| O40 | C41 | H412 | 110.6° | 110.3° |
| O40 | C41 | H411 | 110.6° | 110.2° |
| C41 | C42 | C39 | 104.3° | 101.0° |
| C42 | C41 | H412 | 110.6° | 111.4° |
| C42 | C41 | H411 | 110.6° | 108.9° |
| C41 | C42 | H421 | 110.7° | 111.0° |
| C41 | C42 | H422 | 110.7° | 111.1° |
| O40 | C38 | C39 | 108.2° | 107.1° |
| O40 | C38 | H381 | 107.9° | 111.7° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| C38 | C39 | C42 | 106.1° | 102.2° |
| C39 | C38 | H381 | 114.5° | 111.8° |
| C38 | C39 | H391 | 115.5° | 113.4° |
| C42 | C39 | H391 | 109.1° | 113.8° |
| C39 | C42 | H421 | 110.8° | 111.1° |
| C39 | C42 | H422 | 110.7° | 111.1° |
| C16 | C17 | H171 | 119.9° | 120.0° |
| C17 | C16 | H161 | 120.0° | 120.0° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.4° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.4° |
| H343 | C34 | H341 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 110.4° |
| H412 | C41 | H411 | 109.5° | 110.4° |
| H421 | C42 | H422 | 109.5° | 111.1° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H443 | C44 | H442 | 109.5° | 109.5° |
| H443 | C44 | H441 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | O24 | C23 | O26 | 9.2° | 0.1° |
| C43 | O24 | C23 | N22 | 170.5° | 180.0° |
| O24 | C43 | H432 | H431 | 120.0° | 120.0° |
| O24 | C43 | H432 | H433 | 120.0° | 120.0° |
| O24 | C43 | H431 | H433 | 120.0° | 120.0° |
| O26 | C23 | O24 | N22 | 179.7° | 180.0° |
| O26 | C23 | N22 | C21 | 12.5° | 0.0° |
| O26 | C23 | N22 | H221 | 167.5° | 179.9° |
| O24 | C23 | N22 | C21 | 167.8° | 180.0° |
| C23 | O24 | C43 | H432 | 180.0° | 60.0° |
| C23 | O24 | C43 | H431 | 60.0° | 60.0° |
| C23 | O24 | C43 | H433 | 60.0° | 180.0° |
| O24 | C23 | N22 | H221 | 12.2° | 0.1° |
| C23 | N22 | C21 | H221 | 180.0° | 179.9° |
| C23 | N22 | C21 | C25 | 124.6° | 85.0° |
| C23 | N22 | C21 | C19 | 111.5° | 154.9° |
| C23 | N22 | C21 | H211 | 6.0° | 35.0° |
| C30 | C29 | C28 | H291 | 180.0° | 180.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C30 | C29 | C28 | C04 | 180.0° | 179.7° |
| C30 | C29 | C28 | C33 | 0.4° | 0.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C29 | C28 | C04 | C33 | 179.6° | 179.7° |
| C29 | C28 | C04 | C02 | 111.7° | 89.8° |
| C29 | C28 | C33 | C32 | 0.5° | 0.1° |
| C29 | C28 | C04 | H042 | 128.0° | 30.3° |
| C29 | C28 | C04 | H041 | 8.6° | 150.3° |
| C28 | C29 | C30 | H301 | 179.7° | 179.9° |
| C29 | C28 | C33 | H331 | 179.5° | 179.8° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.4° | 0.1° |
| C31 | C30 | C29 | H291 | 179.7° | 180.0° |
| C30 | C31 | C32 | H321 | 179.7° | 180.0° |
| C34 | C25 | C21 | N22 | 69.3° | 58.2° |
| C34 | C25 | C21 | C44 | 117.7° | 120.0° |
| C34 | C25 | C21 | C27 | 120.3° | 120.0° |
| C34 | C25 | C21 | C19 | 170.9° | 61.8° |
| C34 | C25 | C44 | C27 | 119.6° | 120.0° |
| C34 | C25 | C21 | H211 | 50.0° | 178.2° |
| C34 | C25 | C27 | H271 | 180.0° | 60.0° |
| C34 | C25 | C27 | H272 | 60.0° | 60.0° |
| C34 | C25 | C27 | H273 | 60.0° | 180.0° |
| C25 | C34 | H342 | H343 | 120.0° | 120.0° |
| C25 | C34 | H342 | H341 | 120.0° | 120.0° |
| C25 | C34 | H343 | H341 | 120.0° | 120.0° |
| C34 | C25 | C44 | H443 | 180.0° | 174.0° |
| C34 | C25 | C44 | H442 | 60.0° | 66.0° |
| C34 | C25 | C44 | H441 | 60.0° | 54.0° |
| O10 | C05 | C03 | C06 | 120.2° | 120.0° |
| O10 | C05 | C03 | H051 | 119.8° | 120.0° |
| O10 | C05 | C03 | C02 | 163.1° | 66.7° |
| O10 | C05 | C06 | H051 | 121.4° | 120.0° |
| O10 | C05 | C06 | C11 | 66.2° | 60.0° |
| O10 | C05 | C06 | N07 | 51.2° | 60.0° |
| O10 | C05 | C03 | H032 | 42.7° | 173.3° |
| O10 | C05 | C03 | H031 | 76.5° | 53.2° |
| O10 | C05 | C06 | H061 | 174.0° | 180.0° |
| N22 | C21 | C25 | C19 | 119.8° | 120.0° |
| N22 | C21 | C25 | H211 | 119.2° | 120.0° |
| N22 | C21 | C19 | H211 | 118.2° | 120.0° |
| N22 | C21 | C19 | N01 | 93.1° | 150.0° |
| N22 | C21 | C25 | C44 | 173.0° | 178.2° |
| N22 | C21 | C25 | C27 | 51.1° | 61.8° |
| N22 | C21 | C19 | O20 | 85.7° | 30.1° |
| C25 | C21 | C19 | H211 | 121.0° | 120.0° |
| C25 | C21 | C19 | N01 | 146.0° | 90.0° |
| C21 | C25 | C44 | C27 | 123.7° | 120.0° |
| C25 | C21 | C19 | O20 | 35.1° | 89.9° |
| C21 | C25 | C27 | H271 | 60.9° | 60.0° |
| C21 | C25 | C27 | H272 | 179.1° | 180.0° |
| C21 | C25 | C27 | H273 | 59.2° | 60.0° |
| C21 | C25 | C34 | H342 | 180.0° | 60.0° |
| C21 | C25 | C34 | H343 | 60.0° | 180.0° |
| C21 | C25 | C34 | H341 | 60.0° | 60.0° |
| C21 | C25 | C44 | H443 | 63.3° | 54.0° |
| C21 | C25 | C44 | H442 | 56.7° | 174.0° |
| C21 | C25 | C44 | H441 | 176.6° | 66.0° |
| C25 | C21 | N22 | H221 | 55.4° | 95.1° |
| C21 | C19 | N01 | C02 | 178.6° | 174.4° |
| C21 | C19 | N01 | O20 | 178.8° | 179.9° |
| C19 | C21 | C25 | C44 | 53.2° | 58.2° |
| C19 | C21 | C25 | C27 | 68.8° | 178.2° |
| C21 | C19 | N01 | H011 | 1.4° | 5.6° |
| C19 | C21 | N22 | H221 | 68.5° | 25.0° |
| C02 | N01 | C19 | H011 | 180.0° | 180.0° |
| N01 | C02 | C04 | C28 | 47.7° | 65.0° |
| N01 | C02 | C04 | C03 | 119.9° | 120.0° |
| N01 | C02 | C04 | H021 | 121.3° | 120.0° |
| N01 | C02 | C03 | C05 | 51.9° | 66.3° |
| N01 | C02 | C03 | H021 | 123.8° | 120.0° |
| C02 | N01 | C19 | O20 | 0.2° | 5.7° |
| N01 | C02 | C03 | H032 | 68.5° | 173.7° |
| N01 | C02 | C03 | H031 | 172.3° | 53.7° |
| N01 | C02 | C04 | H042 | 168.0° | 175.0° |
| N01 | C02 | C04 | H041 | 72.6° | 55.1° |
| C19 | N01 | C02 | C04 | 125.3° | 85.9° |
| C19 | N01 | C02 | C03 | 118.5° | 154.1° |
| N01 | C19 | C21 | H211 | 25.1° | 30.0° |
| C19 | N01 | C02 | H021 | 4.7° | 34.1° |
| C28 | C04 | C02 | H042 | 120.3° | 120.0° |
| C28 | C04 | C02 | H041 | 120.3° | 120.0° |
| C28 | C04 | C02 | C03 | 167.6° | 175.0° |
| C04 | C28 | C33 | C32 | 179.9° | 179.7° |
| C28 | C04 | C02 | H021 | 73.6° | 55.0° |
| C28 | C04 | H042 | H041 | 119.1° | 120.0° |
| C04 | C28 | C29 | H291 | 0.0° | 0.3° |
| C04 | C28 | C33 | H331 | 0.1° | 0.0° |
| C02 | C04 | C28 | C33 | 68.7° | 90.0° |
| C04 | C02 | C03 | C05 | 169.3° | 173.7° |
| C04 | C02 | C03 | H021 | 118.8° | 120.0° |
| C04 | C02 | C03 | H032 | 48.9° | 53.7° |
| C04 | C02 | C03 | H031 | 70.2° | 66.3° |
| C02 | C04 | H042 | H041 | 119.1° | 120.0° |
| C04 | C02 | N01 | H011 | 54.7° | 94.1° |
| C28 | C33 | C32 | C31 | 0.5° | 0.1° |
| C28 | C33 | C32 | H331 | 180.0° | 179.7° |
| C33 | C28 | C04 | H042 | 51.6° | 150.0° |
| C33 | C28 | C04 | H041 | 171.0° | 30.0° |
| C33 | C28 | C29 | H291 | 179.5° | 180.0° |
| C28 | C33 | C32 | H321 | 179.5° | 180.0° |
| C05 | C03 | C02 | H032 | 120.4° | 120.0° |
| C05 | C03 | C02 | H031 | 120.4° | 119.9° |
| C03 | C05 | C06 | H051 | 120.0° | 120.0° |
| C03 | C05 | C06 | C11 | 175.1° | NaN° |
| C03 | C05 | C06 | N07 | 67.4° | 60.0° |
| C05 | C03 | C02 | H021 | 71.9° | 53.8° |
| C05 | C03 | H032 | H031 | 118.8° | 120.0° |
| C03 | C05 | C06 | H061 | 55.3° | 60.0° |
| C03 | C05 | O10 | H101 | 180.0° | 55.4° |
| C02 | C03 | C05 | C06 | 76.7° | 173.2° |
| C02 | C03 | H032 | H031 | 118.8° | 120.0° |
| C03 | C02 | C04 | H042 | 72.1° | 55.0° |
| C03 | C02 | C04 | H041 | 47.3° | 65.0° |
| C02 | C03 | C05 | H051 | 43.3° | 53.2° |
| C03 | C02 | N01 | H011 | 61.5° | 25.9° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C32 | C31 | C30 | H301 | 179.8° | 180.0° |
| C31 | C32 | C33 | H331 | 179.5° | 179.8° |
| C05 | C06 | C11 | N07 | 119.3° | 120.0° |
| C05 | C06 | C11 | H061 | 119.8° | 120.0° |
| C05 | C06 | N07 | H061 | 122.1° | 120.0° |
| C05 | C06 | C11 | C13 | 170.6° | 175.0° |
| C05 | C06 | N07 | C08 | 114.4° | 155.0° |
| C06 | C05 | C03 | H032 | 162.9° | 53.2° |
| C06 | C05 | C03 | H031 | 43.7° | 66.8° |
| C05 | C06 | C11 | H111 | 50.7° | 55.0° |
| C05 | C06 | C11 | H112 | 69.5° | 65.0° |
| C05 | C06 | N07 | H071 | 65.6° | 25.0° |
| C06 | C05 | O10 | H101 | 58.9° | 64.6° |
| C44 | C25 | C21 | H211 | 67.7° | 61.8° |
| C44 | C25 | C27 | H271 | 60.6° | 180.0° |
| C44 | C25 | C27 | H272 | 59.4° | 60.0° |
| C44 | C25 | C27 | H273 | 179.3° | 60.0° |
| C44 | C25 | C34 | H342 | 62.3° | 60.0° |
| C44 | C25 | C34 | H343 | 57.7° | 60.0° |
| C44 | C25 | C34 | H341 | 177.7° | 180.0° |
| C25 | C44 | H443 | H442 | 120.0° | 120.0° |
| C25 | C44 | H443 | H441 | 120.0° | 120.0° |
| C25 | C44 | H442 | H441 | 119.9° | 120.0° |
| C27 | C25 | C21 | H211 | 170.3° | 58.2° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 120.0° |
| C25 | C27 | H272 | H273 | 119.9° | 120.0° |
| C27 | C25 | C34 | H342 | 57.6° | 180.0° |
| C27 | C25 | C34 | H343 | 177.5° | 60.0° |
| C27 | C25 | C34 | H341 | 62.4° | 60.0° |
| C27 | C25 | C44 | H443 | 60.4° | 66.0° |
| C27 | C25 | C44 | H442 | 179.6° | 54.0° |
| C27 | C25 | C44 | H441 | 59.6° | 174.0° |
| O20 | C19 | C21 | H211 | 156.1° | 150.1° |
| O20 | C19 | N01 | H011 | 179.8° | 174.3° |
| C33 | C32 | C31 | H311 | 179.7° | 179.9° |
| C11 | C06 | N07 | H061 | 120.3° | 120.0° |
| C06 | C11 | C13 | H111 | 119.9° | 120.0° |
| C06 | C11 | C13 | H112 | 119.9° | 120.0° |
| C11 | C06 | N07 | C08 | 127.9° | 85.0° |
| C06 | C11 | C13 | C14 | 106.3° | 90.0° |
| C06 | C11 | C13 | C18 | 73.6° | 90.3° |
| C11 | C06 | C05 | H051 | 55.2° | 60.0° |
| C06 | C11 | H111 | H112 | 120.3° | 120.0° |
| C11 | C06 | N07 | H071 | 52.1° | 95.0° |
| N07 | C06 | C11 | C13 | 51.3° | 65.0° |
| C06 | N07 | C08 | H071 | 180.0° | 179.9° |
| C06 | N07 | C08 | O09 | 168.9° | 180.0° |
| C06 | N07 | C08 | O12 | 11.2° | 0.0° |
| N07 | C06 | C05 | H051 | 172.6° | 180.0° |
| N07 | C06 | C11 | H111 | 68.6° | 174.9° |
| N07 | C06 | C11 | H112 | 171.2° | 55.0° |
| C11 | C13 | C14 | C18 | 179.9° | 179.7° |
| C11 | C13 | C14 | C15 | 180.0° | 179.8° |
| C11 | C13 | C18 | C17 | 179.9° | 179.7° |
| C13 | C11 | C06 | H061 | 69.6° | 55.0° |
| C13 | C11 | H111 | H112 | 120.4° | 120.0° |
| C11 | C13 | C14 | H141 | 0.0° | 0.3° |
| C11 | C13 | C18 | H181 | 0.1° | 0.3° |
| N07 | C08 | O09 | O12 | 179.8° | 180.0° |
| N07 | C08 | O09 | C35 | 168.4° | 180.0° |
| C08 | N07 | C06 | H061 | 7.6° | 35.0° |
| C08 | O09 | C35 | C36 | 145.1° | 95.2° |
| C08 | O09 | C35 | C39 | 101.2° | 150.0° |
| C08 | O09 | C35 | H351 | 18.1° | 27.4° |
| O09 | C08 | N07 | H071 | 11.1° | 0.0° |
| O12 | C08 | O09 | C35 | 11.5° | 0.0° |
| O12 | C08 | N07 | H071 | 168.8° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C14 | C13 | C18 | C17 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H151 | 179.8° | 179.9° |
| C14 | C13 | C11 | H111 | 13.5° | 150.0° |
| C14 | C13 | C11 | H112 | 133.8° | 30.0° |
| C14 | C13 | C18 | H181 | 180.0° | 180.0° |
| C18 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C18 | C17 | H181 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.1° |
| C13 | C18 | C17 | H171 | 179.9° | 180.0° |
| C18 | C13 | C11 | H111 | 166.5° | 29.8° |
| C18 | C13 | C11 | H112 | 46.3° | 149.7° |
| C18 | C13 | C14 | H141 | 180.0° | 180.0° |
| O09 | C35 | C36 | O37 | 80.9° | 93.1° |
| O09 | C35 | C36 | C39 | 116.7° | 118.7° |
| O09 | C35 | C36 | H351 | 124.2° | 122.6° |
| O09 | C35 | C39 | H351 | 120.5° | 122.5° |
| O09 | C35 | C39 | C38 | 82.4° | 115.8° |
| O09 | C35 | C39 | C42 | 32.7° | 7.1° |
| O09 | C35 | C36 | H361 | 38.2° | 148.0° |
| O09 | C35 | C36 | H362 | 160.0° | 25.7° |
| O09 | C35 | C39 | H391 | 152.4° | 120.6° |
| C14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C14 | C15 | C16 | H161 | 179.8° | 179.9° |
| O37 | C36 | C35 | H361 | 119.1° | 118.9° |
| O37 | C36 | C35 | H362 | 119.1° | 118.8° |
| O37 | C36 | C35 | C39 | 35.8° | 25.6° |
| C36 | O37 | C38 | O40 | 125.3° | 152.4° |
| C36 | O37 | C38 | C39 | 7.9° | 37.9° |
| O37 | C36 | C35 | H351 | 155.0° | 144.2° |
| O37 | C36 | H361 | H362 | 122.6° | 122.2° |
| C36 | O37 | C38 | H381 | 116.3° | 83.4° |
| C35 | C36 | O37 | C38 | 30.4° | 40.1° |
| C36 | C35 | C39 | H351 | 123.6° | 118.7° |
| C36 | C35 | C39 | C38 | 33.5° | 3.0° |
| C36 | C35 | C39 | C42 | 148.7° | 111.7° |
| C35 | C36 | H361 | H362 | 122.6° | 122.3° |
| C36 | C35 | C39 | H391 | 91.6° | 120.6° |
| O37 | C38 | C39 | C35 | 11.7° | 20.4° |
| O37 | C38 | O40 | C41 | 109.1° | 112.9° |
| O37 | C38 | O40 | C39 | 116.5° | 113.1° |
| O37 | C38 | O40 | H381 | 119.0° | 124.2° |
| O37 | C38 | C39 | H381 | 120.7° | 121.4° |
| O37 | C38 | C39 | C42 | 130.0° | 93.2° |
| C38 | O37 | C36 | H361 | 149.5° | 78.8° |
| C38 | O37 | C36 | H362 | 88.7° | 158.9° |
| O37 | C38 | C39 | H391 | 109.0° | 143.9° |
| C18 | C17 | C16 | C15 | 0.1° | 0.1° |
| C18 | C17 | C16 | H171 | 180.0° | 179.9° |
| C18 | C17 | C16 | H161 | 179.9° | 179.9° |
| C35 | C39 | C42 | C41 | 90.3° | 144.6° |
| C35 | C39 | C38 | O40 | 107.1° | 136.3° |
| C35 | C39 | C38 | C42 | 118.3° | 113.6° |
| C35 | C39 | C38 | H391 | 120.7° | 123.5° |
| C35 | C39 | C42 | H391 | 119.3° | 127.3° |
| C39 | C35 | C36 | H361 | 154.9° | 93.3° |
| C39 | C35 | C36 | H362 | 83.3° | 144.4° |
| C35 | C39 | C38 | H381 | 132.4° | 100.9° |
| C35 | C39 | C42 | H421 | 150.5° | 26.8° |
| C35 | C39 | C42 | H422 | 28.9° | 97.5° |
| O40 | C41 | C42 | H412 | 119.3° | 119.7° |
| O40 | C41 | C42 | H411 | 119.3° | 118.3° |
| C41 | O40 | C38 | C39 | 7.4° | 0.2° |
| O40 | C41 | C42 | C39 | 29.4° | 35.8° |
| C41 | O40 | C38 | H381 | 131.9° | 122.9° |
| O40 | C41 | H412 | H411 | 122.1° | 122.1° |
| O40 | C41 | C42 | H421 | 89.8° | 82.1° |
| O40 | C41 | C42 | H422 | 148.6° | 153.8° |
| C42 | C41 | O40 | C38 | 23.3° | 22.8° |
| C41 | C42 | C39 | C38 | 25.3° | 34.5° |
| C41 | C42 | C39 | H421 | 119.2° | 117.9° |
| C41 | C42 | C39 | H422 | 119.2° | 117.9° |
| C41 | C42 | C39 | H391 | 150.4° | 88.1° |
| C42 | C41 | H412 | H411 | 122.1° | 121.1° |
| C41 | C42 | H421 | H422 | 122.4° | 124.2° |
| O40 | C38 | C39 | H381 | 120.4° | 122.7° |
| O40 | C38 | C39 | C42 | 11.2° | 22.7° |
| O40 | C38 | C39 | H391 | 132.2° | 100.2° |
| C38 | O40 | C41 | H412 | 142.6° | 143.2° |
| C38 | O40 | C41 | H411 | 95.9° | 94.7° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 179.9° | 179.9° |
| C38 | C39 | C42 | H391 | 125.1° | 122.6° |
| C38 | C39 | C35 | H351 | 157.1° | 121.7° |
| C38 | C39 | C42 | H421 | 93.9° | 83.3° |
| C38 | C39 | C42 | H422 | 144.5° | 152.4° |
| C42 | C39 | C35 | H351 | 87.7° | 129.7° |
| C42 | C39 | C38 | H381 | 109.3° | 145.4° |
| C39 | C42 | C41 | H412 | 148.7° | 155.5° |
| C39 | C42 | C41 | H411 | 89.8° | 82.5° |
| C39 | C42 | H421 | H422 | 122.4° | 124.2° |
| C17 | C16 | C15 | H151 | 179.8° | 180.0° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| H151 | C15 | C14 | H141 | 0.1° | 0.1° |
| H151 | C15 | C16 | H161 | 0.2° | 0.1° |
| H171 | C17 | C16 | H161 | 0.2° | 0.0° |
| H171 | C17 | C18 | H181 | 0.1° | 0.1° |
| H211 | C21 | N22 | H221 | 174.0° | 144.9° |
| H021 | C02 | C03 | H032 | 167.7° | 66.2° |
| H021 | C02 | C03 | H031 | 48.5° | 173.7° |
| H021 | C02 | C04 | H042 | 46.7° | 65.0° |
| H021 | C02 | C04 | H041 | 166.1° | 175.0° |
| H021 | C02 | N01 | H011 | 175.3° | 145.9° |
| H032 | C03 | C05 | H051 | 77.1° | 66.8° |
| H031 | C03 | C05 | H051 | 163.7° | 173.2° |
| H051 | C05 | C06 | H061 | 64.7° | 60.0° |
| H051 | C05 | O10 | H101 | 61.3° | 175.3° |
| H061 | C06 | C11 | H111 | 170.5° | 65.0° |
| H061 | C06 | C11 | H112 | 50.3° | 175.0° |
| H061 | C06 | N07 | H071 | 172.4° | 145.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 0.3° | 0.0° |
| H301 | C30 | C31 | H311 | 0.2° | 0.0° |
| H311 | C31 | C32 | H321 | 0.3° | 0.0° |
| H321 | C32 | C33 | H331 | 0.5° | 0.3° |
| H342 | C34 | H343 | H341 | 120.0° | 120.0° |
| H351 | C35 | C36 | H361 | 85.9° | 25.4° |
| H351 | C35 | C36 | H362 | 35.8° | 96.9° |
| H351 | C35 | C39 | H391 | 32.0° | 2.0° |
| H381 | C38 | C39 | H391 | 11.7° | 22.5° |
| H391 | C39 | C42 | H421 | 31.2° | 154.0° |
| H391 | C39 | C42 | H422 | 90.5° | 29.8° |
| H412 | C41 | C42 | H421 | 29.5° | 37.6° |
| H412 | C41 | C42 | H422 | 92.1° | 86.6° |
| H411 | C41 | C42 | H421 | 151.0° | 159.6° |
| H411 | C41 | C42 | H422 | 29.4° | 35.4° |
| H432 | C43 | H431 | H433 | 120.0° | 120.0° |
| H443 | C44 | H442 | H441 | 120.0° | 120.0° |
