YVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F39 | C33 | sing | 1.35Å | 1.33Å | |
| C24 | C29 | doub | 1.38Å | 1.51Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.49Å | Aromatic |
| C33 | C38 | doub | 1.38Å | 1.54Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.52Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.54Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.51Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.52Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.54Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.54Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.50Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.51Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.50Å | Aromatic |
| C36 | C32 | sing | 1.51Å | 1.56Å | |
| C27 | C05 | sing | 1.51Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.50Å | |
| C04 | N02 | sing | 1.47Å | 1.49Å | |
| C04 | C18 | sing | 1.51Å | 1.53Å | |
| N02 | C01 | sing | 1.35Å | 1.46Å | |
| C01 | O03 | doub | 1.21Å | 1.20Å | |
| C01 | C30 | sing | 1.51Å | 1.53Å | |
| C30 | N31 | sing | 1.47Å | 1.43Å | |
| N31 | C40 | sing | 1.35Å | 1.46Å | |
| C18 | N06 | sing | 1.35Å | 1.47Å | |
| C18 | O19 | doub | 1.21Å | 1.23Å | |
| C40 | C41 | sing | 1.51Å | 1.55Å | |
| C40 | O42 | doub | 1.21Å | 1.19Å | |
| N06 | C07 | sing | 1.46Å | 1.48Å | |
| C41 | C43 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C07 | C13 | sing | 1.53Å | 1.59Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C43 | O44 | sing | 1.43Å | 1.42Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| O12 | C10 | doub | 1.21Å | 1.19Å | |
| C09 | C10 | sing | 1.51Å | 1.64Å | |
| C09 | C23 | sing | 1.55Å | 1.33Å | |
| C10 | N11 | sing | 1.34Å | 1.38Å | |
| C15 | O16 | sing | 1.34Å | 1.42Å | |
| C15 | O17 | doub | 1.21Å | 1.24Å | |
| O16 | C20 | sing | 1.45Å | 1.42Å | |
| O44 | C45 | sing | 1.43Å | 1.44Å | |
| N11 | C22 | sing | 1.47Å | 1.61Å | |
| C23 | C22 | sing | 1.55Å | 1.61Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C45 | C46 | sing | 1.47Å | 1.57Å | |
| C46 | C47 | trip | 1.17Å | 1.22Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.05Å | 1.06Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F39 | C33 | C38 | 120.2° | 120.0° |
| F39 | C33 | C34 | 119.9° | 120.0° |
| C29 | C24 | C25 | 120.5° | 120.0° |
| C24 | C29 | C28 | 118.3° | 120.0° |
| C29 | C24 | H241 | 119.8° | 120.0° |
| C24 | C29 | H291 | 120.8° | 120.0° |
| C24 | C25 | C26 | 120.6° | 120.0° |
| C25 | C24 | H241 | 119.7° | 120.0° |
| C24 | C25 | H251 | 119.7° | 120.0° |
| C38 | C33 | C34 | 119.9° | 119.9° |
| C33 | C38 | C37 | 119.1° | 120.0° |
| C33 | C38 | H381 | 120.4° | 120.0° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C33 | C34 | H341 | 120.0° | 120.0° |
| C38 | C37 | C36 | 120.0° | 120.1° |
| C38 | C37 | H371 | 120.0° | 119.9° |
| C37 | C38 | H381 | 120.4° | 120.0° |
| C29 | C28 | C27 | 121.7° | 120.1° |
| C29 | C28 | H281 | 119.2° | 120.0° |
| C28 | C29 | H291 | 120.8° | 120.0° |
| C25 | C26 | C27 | 119.4° | 120.1° |
| C25 | C26 | H261 | 120.3° | 120.0° |
| C26 | C25 | H251 | 119.7° | 120.0° |
| C34 | C35 | C36 | 120.6° | 120.0° |
| C35 | C34 | H341 | 119.9° | 120.0° |
| C34 | C35 | H351 | 119.7° | 120.0° |
| C37 | C36 | C35 | 120.2° | 120.1° |
| C37 | C36 | C32 | 118.9° | 120.0° |
| C36 | C37 | H371 | 120.0° | 120.0° |
| C28 | C27 | C26 | 119.5° | 119.9° |
| C28 | C27 | C05 | 119.8° | 120.0° |
| C27 | C28 | H281 | 119.2° | 119.9° |
| C26 | C27 | C05 | 120.7° | 120.0° |
| C27 | C26 | H261 | 120.3° | 119.9° |
| C35 | C36 | C32 | 120.9° | 119.9° |
| C36 | C35 | H351 | 119.7° | 120.0° |
| C36 | C32 | C30 | 110.4° | 109.4° |
| C36 | C32 | H322 | 109.2° | 109.4° |
| C36 | C32 | H321 | 109.2° | 109.4° |
| C27 | C05 | C04 | 99.9° | 109.5° |
| C27 | C05 | H052 | 111.8° | 109.5° |
| C27 | C05 | H051 | 111.8° | 109.4° |
| C32 | C30 | C01 | 109.4° | 109.5° |
| C32 | C30 | N31 | 112.9° | 109.4° |
| C32 | C30 | H301 | 107.5° | 109.5° |
| C30 | C32 | H322 | 109.2° | 109.5° |
| C30 | C32 | H321 | 109.2° | 109.5° |
| C05 | C04 | N02 | 107.7° | 109.5° |
| C05 | C04 | C18 | 110.2° | 109.5° |
| C05 | C04 | H041 | 110.9° | 109.5° |
| C04 | C05 | H052 | 111.8° | 109.5° |
| C04 | C05 | H051 | 111.8° | 109.5° |
| N02 | C04 | C18 | 106.2° | 109.5° |
| C04 | N02 | C01 | 120.2° | 120.0° |
| N02 | C04 | H041 | 111.1° | 109.4° |
| C04 | N02 | H021 | 119.9° | 120.0° |
| C04 | C18 | N06 | 117.2° | 120.0° |
| C04 | C18 | O19 | 121.3° | 120.0° |
| C18 | C04 | H041 | 110.5° | 109.5° |
| N02 | C01 | O03 | 116.8° | 120.0° |
| N02 | C01 | C30 | 119.7° | 120.0° |
| C01 | N02 | H021 | 119.9° | 120.0° |
| O03 | C01 | C30 | 123.4° | 120.0° |
| C01 | C30 | N31 | 111.2° | 109.5° |
| C01 | C30 | H301 | 107.1° | 109.5° |
| C30 | N31 | C40 | 118.8° | 120.0° |
| N31 | C30 | H301 | 108.4° | 109.5° |
| C30 | N31 | H311 | 120.6° | 120.0° |
| N31 | C40 | C41 | 120.4° | 120.0° |
| N31 | C40 | O42 | 119.6° | 120.0° |
| C40 | N31 | H311 | 120.7° | 120.0° |
| N06 | C18 | O19 | 121.4° | 120.0° |
| C18 | N06 | C07 | 120.2° | 120.0° |
| C18 | N06 | H061 | 119.9° | 119.9° |
| C41 | C40 | O42 | 120.0° | 120.0° |
| C40 | C41 | C43 | 108.0° | 109.5° |
| C40 | C41 | H411 | 109.9° | 109.5° |
| C40 | C41 | H412 | 109.8° | 109.5° |
| N06 | C07 | C13 | 107.9° | 109.5° |
| N06 | C07 | C08 | 111.3° | 109.5° |
| N06 | C07 | H071 | 109.0° | 109.5° |
| C07 | N06 | H061 | 119.9° | 120.0° |
| C41 | C43 | O44 | 107.7° | 109.4° |
| C43 | C41 | H411 | 109.8° | 109.5° |
| C43 | C41 | H412 | 109.8° | 109.5° |
| C41 | C43 | H431 | 109.9° | 109.5° |
| C41 | C43 | H432 | 109.9° | 109.5° |
| C13 | C14 | C15 | 111.0° | 109.5° |
| C14 | C13 | C07 | 106.6° | 109.5° |
| C14 | C13 | H131 | 110.2° | 109.5° |
| C14 | C13 | H1 | 110.2° | 109.5° |
| C13 | C14 | H141 | 109.1° | 109.5° |
| C13 | C14 | H142 | 109.1° | 109.5° |
| C14 | C15 | O16 | 116.3° | 120.0° |
| C14 | C15 | O17 | 118.8° | 120.0° |
| C15 | C14 | H141 | 109.1° | 109.5° |
| C15 | C14 | H142 | 109.1° | 109.5° |
| C13 | C07 | C08 | 112.4° | 109.5° |
| C07 | C13 | H131 | 110.2° | 109.5° |
| C07 | C13 | H1 | 110.2° | 109.4° |
| C13 | C07 | H071 | 107.7° | 109.5° |
| C07 | C08 | C09 | 106.3° | 109.5° |
| C08 | C07 | H071 | 108.6° | 109.5° |
| C07 | C08 | H082 | 110.3° | 109.5° |
| C07 | C08 | H081 | 110.3° | 109.5° |
| C43 | O44 | C45 | 112.5° | 114.0° |
| O44 | C43 | H431 | 109.9° | 109.5° |
| O44 | C43 | H432 | 109.9° | 109.5° |
| C08 | C09 | C10 | 112.5° | 110.5° |
| C08 | C09 | C23 | 123.2° | 110.5° |
| C09 | C08 | H082 | 110.3° | 109.5° |
| C09 | C08 | H081 | 110.3° | 109.5° |
| C08 | C09 | H091 | 102.9° | 110.4° |
| O12 | C10 | C09 | 124.2° | 124.9° |
| O12 | C10 | N11 | 126.3° | 125.0° |
| C10 | C09 | C23 | 108.9° | 104.2° |
| C09 | C10 | N11 | 109.1° | 110.1° |
| C10 | C09 | H091 | 101.9° | 110.5° |
| C09 | C23 | C22 | 102.0° | 101.8° |
| C23 | C09 | H091 | 104.8° | 110.6° |
| C09 | C23 | H232 | 111.3° | 111.0° |
| C09 | C23 | H231 | 111.3° | 111.0° |
| C10 | N11 | C22 | 103.2° | 111.3° |
| C10 | N11 | H111 | 128.4° | 124.3° |
| O16 | C15 | O17 | 124.7° | 120.0° |
| C15 | O16 | C20 | 116.4° | 117.0° |
| O16 | C20 | C21 | 108.8° | 109.4° |
| O16 | C20 | H201 | 109.7° | 109.5° |
| O16 | C20 | H202 | 109.6° | 109.5° |
| O44 | C45 | C46 | 108.7° | 109.5° |
| O44 | C45 | H451 | 109.7° | 109.4° |
| O44 | C45 | H452 | 109.7° | 109.5° |
| N11 | C22 | C23 | 106.6° | 105.4° |
| N11 | C22 | H221 | 110.2° | 110.3° |
| N11 | C22 | H222 | 110.2° | 110.4° |
| C22 | N11 | H111 | 128.4° | 124.3° |
| C23 | C22 | H221 | 110.2° | 110.2° |
| C23 | C22 | H222 | 110.2° | 110.3° |
| C22 | C23 | H232 | 111.3° | 111.0° |
| C22 | C23 | H231 | 111.3° | 110.9° |
| C21 | C20 | H201 | 109.6° | 109.4° |
| C21 | C20 | H202 | 109.7° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.4° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C45 | C46 | C47 | 178.4° | 180.0° |
| C46 | C45 | H451 | 109.7° | 109.5° |
| C46 | C45 | H452 | 109.7° | 109.5° |
| C46 | C47 | H471 | 180.0° | 179.9° |
| H131 | C13 | H1 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 110.2° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.5° | 110.9° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.4° | 109.5° |
| H451 | C45 | H452 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F39 | C33 | C38 | C34 | 179.4° | 179.8° |
| F39 | C33 | C38 | C37 | 179.2° | 179.7° |
| F39 | C33 | C34 | C35 | 179.5° | 179.8° |
| F39 | C33 | C34 | H341 | 0.5° | 0.2° |
| F39 | C33 | C38 | H381 | 0.9° | 0.2° |
| C29 | C24 | C25 | H241 | 180.0° | 179.8° |
| C24 | C29 | C28 | H291 | 180.0° | 179.9° |
| C29 | C24 | C25 | C26 | 0.9° | 0.1° |
| C24 | C29 | C28 | C27 | 0.9° | 0.0° |
| C24 | C29 | C28 | H281 | 179.1° | 179.9° |
| C29 | C24 | C25 | H251 | 179.1° | 179.9° |
| C25 | C24 | C29 | C28 | 0.6° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 1.6° | 0.1° |
| C24 | C25 | C26 | H261 | 178.4° | 179.9° |
| C25 | C24 | C29 | H291 | 179.5° | 179.9° |
| C33 | C38 | C37 | H381 | 180.0° | 179.9° |
| C38 | C33 | C34 | C35 | 1.1° | 0.0° |
| C33 | C38 | C37 | C36 | 1.6° | 0.0° |
| C38 | C33 | C34 | H341 | 178.9° | 180.0° |
| C33 | C38 | C37 | H371 | 178.4° | 179.9° |
| C34 | C33 | C38 | C37 | 0.3° | 0.1° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 1.2° | 0.0° |
| C33 | C34 | C35 | H351 | 178.9° | 180.0° |
| C34 | C33 | C38 | H381 | 179.7° | 180.0° |
| C38 | C37 | C36 | H371 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 1.5° | 0.0° |
| C38 | C37 | C36 | C32 | 178.3° | 180.0° |
| C29 | C28 | C27 | H281 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 1.6° | 0.0° |
| C29 | C28 | C27 | C05 | 178.5° | 180.0° |
| C28 | C29 | C24 | H241 | 179.4° | 179.8° |
| C25 | C26 | C27 | C28 | 1.9° | 0.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C05 | 178.1° | 180.0° |
| C26 | C25 | C24 | H241 | 179.1° | 179.8° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C32 | 179.7° | 180.0° |
| C37 | C36 | C35 | C32 | 179.8° | 179.9° |
| C37 | C36 | C32 | C30 | 100.2° | 90.1° |
| C37 | C36 | C32 | H322 | 19.9° | 150.0° |
| C37 | C36 | C32 | H321 | 139.6° | 30.0° |
| C37 | C36 | C35 | H351 | 179.9° | 180.0° |
| C36 | C37 | C38 | H381 | 178.4° | 180.0° |
| C28 | C27 | C26 | C05 | 179.9° | 180.0° |
| C28 | C27 | C05 | C04 | 77.1° | 90.0° |
| C28 | C27 | C26 | H261 | 178.1° | 180.0° |
| C28 | C27 | C05 | H052 | 41.4° | 150.0° |
| C28 | C27 | C05 | H051 | 164.5° | 30.0° |
| C27 | C28 | C29 | H291 | 179.1° | 180.0° |
| C26 | C27 | C05 | C04 | 103.0° | 90.0° |
| C26 | C27 | C28 | H281 | 178.4° | 179.9° |
| C26 | C27 | C05 | H052 | 138.5° | 30.0° |
| C26 | C27 | C05 | H051 | 15.4° | 150.0° |
| C27 | C26 | C25 | H251 | 178.4° | 179.9° |
| C35 | C36 | C32 | C30 | 80.0° | 90.0° |
| C35 | C36 | C32 | H322 | 159.9° | 29.9° |
| C35 | C36 | C32 | H321 | 40.2° | 150.0° |
| C36 | C35 | C34 | H341 | 178.9° | 180.0° |
| C35 | C36 | C37 | H371 | 178.5° | 179.9° |
| C36 | C32 | C30 | H322 | 120.1° | 119.9° |
| C36 | C32 | C30 | H321 | 120.2° | 120.0° |
| C36 | C32 | C30 | C01 | 70.8° | 175.0° |
| C36 | C32 | C30 | N31 | 53.6° | 65.0° |
| C36 | C32 | C30 | H301 | 173.1° | 55.0° |
| C36 | C32 | H322 | H321 | 119.6° | 120.0° |
| C32 | C36 | C35 | H351 | 0.3° | 0.0° |
| C32 | C36 | C37 | H371 | 1.7° | 0.0° |
| C27 | C05 | C04 | H052 | 118.4° | 120.0° |
| C27 | C05 | C04 | H051 | 118.4° | 119.9° |
| C27 | C05 | C04 | N02 | 79.7° | 65.0° |
| C27 | C05 | C04 | C18 | 164.8° | 175.0° |
| C05 | C27 | C26 | H261 | 1.9° | 0.0° |
| C05 | C27 | C28 | H281 | 1.5° | 0.1° |
| C27 | C05 | C04 | H041 | 42.1° | 55.0° |
| C27 | C05 | H052 | H051 | 124.5° | 120.0° |
| C32 | C30 | C01 | N02 | 55.4° | 60.1° |
| C32 | C30 | C01 | O03 | 128.3° | 120.0° |
| C32 | C30 | C01 | N31 | 125.5° | 119.9° |
| C32 | C30 | C01 | H301 | 116.2° | 120.1° |
| C32 | C30 | N31 | H301 | 119.0° | 120.0° |
| C32 | C30 | N31 | C40 | 90.5° | 85.0° |
| C30 | C32 | H322 | H321 | 119.6° | 120.1° |
| C32 | C30 | N31 | H311 | 89.5° | 95.0° |
| C05 | C04 | N02 | C18 | 118.1° | 120.0° |
| C05 | C04 | N02 | H041 | 121.7° | 120.0° |
| C05 | C04 | C18 | H041 | 122.9° | 120.1° |
| C05 | C04 | N02 | C01 | 172.3° | 85.0° |
| C05 | C04 | C18 | N06 | 101.3° | 60.0° |
| C05 | C04 | C18 | O19 | 76.5° | 120.0° |
| C04 | C05 | H052 | H051 | 124.5° | 120.1° |
| C05 | C04 | N02 | H021 | 7.8° | 94.9° |
| N02 | C04 | C18 | H041 | 120.7° | 119.9° |
| C04 | N02 | C01 | H021 | 180.0° | 179.9° |
| C04 | N02 | C01 | O03 | 2.1° | 0.1° |
| C04 | N02 | C01 | C30 | 174.5° | 180.0° |
| N02 | C04 | C18 | N06 | 142.3° | 180.0° |
| N02 | C04 | C18 | O19 | 40.0° | 0.0° |
| N02 | C04 | C05 | H052 | 161.9° | 55.0° |
| N02 | C04 | C05 | H051 | 38.7° | 175.1° |
| C18 | C04 | N02 | C01 | 69.7° | 155.0° |
| C04 | C18 | N06 | O19 | 177.8° | 180.0° |
| C04 | C18 | N06 | C07 | 178.6° | 174.9° |
| C18 | C04 | C05 | H052 | 46.4° | 65.0° |
| C18 | C04 | C05 | H051 | 76.8° | 55.1° |
| C18 | C04 | N02 | H021 | 110.3° | 25.1° |
| C04 | C18 | N06 | H061 | 1.4° | 5.1° |
| N02 | C01 | O03 | C30 | 176.4° | 179.9° |
| N02 | C01 | C30 | N31 | 179.1° | 180.0° |
| C01 | N02 | C04 | H041 | 50.6° | 35.0° |
| N02 | C01 | C30 | H301 | 60.8° | 60.0° |
| O03 | C01 | C30 | N31 | 2.8° | 0.0° |
| O03 | C01 | C30 | H301 | 115.5° | 120.0° |
| O03 | C01 | N02 | H021 | 178.0° | 180.0° |
| C01 | C30 | N31 | H301 | 117.5° | 120.1° |
| C01 | C30 | N31 | C40 | 146.1° | 155.0° |
| C01 | C30 | C32 | H322 | 49.3° | 55.1° |
| C01 | C30 | C32 | H321 | 169.0° | 65.0° |
| C30 | C01 | N02 | H021 | 5.5° | 0.1° |
| C01 | C30 | N31 | H311 | 34.0° | 25.0° |
| C30 | N31 | C40 | H311 | 180.0° | 180.0° |
| C30 | N31 | C40 | C41 | 178.6° | 180.0° |
| C30 | N31 | C40 | O42 | 1.5° | 0.0° |
| N31 | C30 | C32 | H322 | 173.8° | 175.0° |
| N31 | C30 | C32 | H321 | 66.5° | 55.0° |
| N31 | C40 | C41 | O42 | 177.2° | 180.0° |
| N31 | C40 | C41 | C43 | 88.4° | 180.0° |
| C40 | N31 | C30 | H301 | 28.5° | 34.9° |
| N31 | C40 | C41 | H411 | 151.8° | 60.0° |
| N31 | C40 | C41 | H412 | 31.4° | 60.0° |
| C18 | N06 | C07 | H061 | 180.0° | 180.0° |
| C18 | N06 | C07 | C13 | 119.7° | 152.0° |
| C18 | N06 | C07 | C08 | 116.6° | 88.0° |
| N06 | C18 | C04 | H041 | 21.6° | 60.0° |
| C18 | N06 | C07 | H071 | 3.0° | 32.0° |
| O19 | C18 | N06 | C07 | 0.8° | 5.0° |
| O19 | C18 | C04 | H041 | 160.6° | 120.0° |
| O19 | C18 | N06 | H061 | 179.2° | 175.0° |
| C40 | C41 | C43 | H411 | 119.8° | 120.0° |
| C40 | C41 | C43 | H412 | 119.8° | 120.0° |
| C40 | C41 | C43 | O44 | 77.9° | 180.0° |
| C40 | C41 | H411 | H412 | 120.7° | 120.0° |
| C40 | C41 | C43 | H431 | 162.3° | 60.0° |
| C40 | C41 | C43 | H432 | 41.8° | 60.0° |
| C41 | C40 | N31 | H311 | 1.4° | 0.0° |
| O42 | C40 | C41 | C43 | 94.4° | 0.0° |
| O42 | C40 | C41 | H411 | 25.3° | 120.0° |
| O42 | C40 | C41 | H412 | 145.8° | 120.0° |
| O42 | C40 | N31 | H311 | 178.5° | 180.0° |
| N06 | C07 | C13 | C14 | 62.6° | 65.0° |
| N06 | C07 | C13 | C08 | 123.0° | 120.0° |
| N06 | C07 | C13 | H071 | 117.5° | 120.0° |
| N06 | C07 | C08 | H071 | 119.9° | 120.0° |
| N06 | C07 | C08 | C09 | 77.5° | 174.1° |
| N06 | C07 | C13 | H131 | 57.0° | 175.0° |
| N06 | C07 | C13 | H1 | 177.8° | 55.0° |
| N06 | C07 | C08 | H082 | 42.0° | 54.1° |
| N06 | C07 | C08 | H081 | 163.0° | 65.9° |
| C41 | C43 | O44 | H431 | 119.7° | 120.0° |
| C41 | C43 | O44 | H432 | 119.7° | 120.0° |
| C41 | C43 | O44 | C45 | 167.8° | 179.9° |
| C43 | C41 | H411 | H412 | 120.6° | 120.0° |
| C41 | C43 | H431 | H432 | 120.8° | 120.0° |
| C13 | C14 | C15 | H141 | 120.2° | 120.0° |
| C13 | C14 | C15 | H142 | 120.2° | 120.0° |
| C14 | C13 | C07 | H131 | 119.6° | 120.0° |
| C14 | C13 | C07 | H1 | 119.6° | 120.0° |
| C14 | C13 | C07 | C08 | 174.4° | 175.0° |
| C13 | C14 | C15 | O16 | 169.8° | 180.0° |
| C13 | C14 | C15 | O17 | 14.9° | 0.0° |
| C14 | C13 | H131 | H1 | 121.3° | 120.1° |
| C14 | C13 | C07 | H071 | 54.9° | 55.0° |
| C13 | C14 | H141 | H142 | 119.3° | 120.0° |
| C15 | C14 | C13 | C07 | 129.8° | 180.0° |
| C14 | C15 | O16 | O17 | 174.9° | 180.0° |
| C14 | C15 | O16 | C20 | 177.3° | 180.0° |
| C15 | C14 | C13 | H131 | 110.7° | 60.0° |
| C15 | C14 | C13 | H1 | 10.2° | 60.0° |
| C15 | C14 | H141 | H142 | 119.3° | 120.0° |
| C13 | C07 | C08 | H071 | 119.0° | 120.0° |
| C13 | C07 | C08 | C09 | 161.4° | 65.9° |
| C07 | C13 | H131 | H1 | 121.3° | 119.9° |
| C13 | C07 | C08 | H082 | 79.1° | 174.1° |
| C13 | C07 | C08 | H081 | 41.9° | 54.1° |
| C07 | C13 | C14 | H141 | 110.0° | 60.0° |
| C07 | C13 | C14 | H142 | 9.5° | 60.0° |
| C13 | C07 | N06 | H061 | 60.3° | 28.0° |
| C07 | C08 | C09 | H082 | 119.5° | 120.0° |
| C07 | C08 | C09 | H081 | 119.5° | 120.0° |
| C07 | C08 | C09 | C10 | 171.2° | 65.4° |
| C07 | C08 | C09 | C23 | 55.3° | 179.8° |
| C08 | C07 | C13 | H131 | 66.0° | 55.0° |
| C08 | C07 | C13 | H1 | 54.8° | 65.0° |
| C07 | C08 | H082 | H081 | 121.5° | 120.0° |
| C07 | C08 | C09 | H091 | 62.3° | 57.1° |
| C08 | C07 | N06 | H061 | 63.4° | 92.0° |
| C43 | O44 | C45 | C46 | 126.9° | 180.0° |
| O44 | C43 | C41 | H411 | 41.9° | 60.0° |
| O44 | C43 | C41 | H412 | 162.3° | 60.0° |
| O44 | C43 | H431 | H432 | 120.8° | 120.0° |
| C43 | O44 | C45 | H451 | 113.2° | 60.0° |
| C43 | O44 | C45 | H452 | 7.0° | 59.9° |
| C08 | C09 | C10 | O12 | 22.8° | 77.8° |
| C08 | C09 | C10 | C23 | 140.2° | 118.7° |
| C08 | C09 | C10 | H091 | 109.5° | 122.5° |
| C08 | C09 | C23 | H091 | 116.6° | 122.6° |
| C08 | C09 | C10 | N11 | 164.4° | 102.5° |
| C08 | C09 | C23 | C22 | 166.3° | 93.9° |
| C09 | C08 | C07 | H071 | 42.4° | 54.0° |
| C09 | C08 | H082 | H081 | 121.5° | 120.0° |
| C08 | C09 | C23 | H232 | 47.5° | 148.0° |
| C08 | C09 | C23 | H231 | 74.9° | 24.2° |
| O12 | C10 | C09 | N11 | 172.8° | 179.7° |
| O12 | C10 | C09 | C23 | 163.0° | 163.5° |
| O12 | C10 | N11 | C22 | 175.4° | 179.9° |
| O12 | C10 | C09 | H091 | 86.7° | 44.7° |
| O12 | C10 | N11 | H111 | 4.6° | 0.1° |
| C10 | C09 | C23 | H091 | 108.4° | 118.7° |
| C09 | C10 | N11 | C22 | 2.8° | 0.4° |
| C10 | C09 | C23 | C22 | 31.3° | 24.8° |
| C10 | C09 | C08 | H082 | 51.7° | 54.6° |
| C10 | C09 | C08 | H081 | 69.3° | 174.6° |
| C10 | C09 | C23 | H232 | 87.4° | 93.3° |
| C10 | C09 | C23 | H231 | 150.1° | 142.9° |
| C09 | C10 | N11 | H111 | 177.2° | 179.6° |
| C23 | C09 | C10 | N11 | 24.2° | 16.3° |
| C09 | C23 | C22 | N11 | 30.0° | 25.4° |
| C09 | C23 | C22 | H232 | 118.8° | 118.1° |
| C09 | C23 | C22 | H231 | 118.8° | 118.1° |
| C09 | C23 | C22 | H221 | 89.5° | 93.6° |
| C09 | C23 | C22 | H222 | 149.6° | 144.5° |
| C23 | C09 | C08 | H082 | 174.7° | 60.2° |
| C23 | C09 | C08 | H081 | 64.2° | 59.8° |
| C09 | C23 | H232 | H231 | 123.5° | 123.8° |
| C10 | N11 | C22 | H111 | 180.0° | 180.0° |
| C10 | N11 | C22 | C23 | 15.1° | 17.0° |
| C10 | N11 | C22 | H221 | 104.5° | 102.0° |
| C10 | N11 | C22 | H222 | 134.6° | 136.1° |
| N11 | C10 | C09 | H091 | 86.1° | 135.1° |
| C15 | O16 | C20 | C21 | 140.9° | 180.0° |
| C15 | O16 | C20 | H201 | 21.0° | 60.0° |
| C15 | O16 | C20 | H202 | 99.2° | 60.0° |
| O16 | C15 | C14 | H141 | 70.0° | 60.0° |
| O16 | C15 | C14 | H142 | 49.6° | 60.0° |
| O17 | C15 | O16 | C20 | 7.8° | 0.0° |
| O17 | C15 | C14 | H141 | 105.3° | 120.0° |
| O17 | C15 | C14 | H142 | 135.1° | 120.0° |
| O16 | C20 | C21 | H201 | 119.9° | 120.0° |
| O16 | C20 | C21 | H202 | 119.9° | 120.0° |
| O16 | C20 | H201 | H202 | 120.3° | 120.1° |
| O16 | C20 | C21 | H211 | 180.0° | 60.0° |
| O16 | C20 | C21 | H212 | 60.0° | 60.0° |
| O16 | C20 | C21 | H213 | 60.0° | 180.0° |
| O44 | C45 | C46 | H451 | 119.9° | 120.0° |
| O44 | C45 | C46 | H452 | 119.9° | 120.1° |
| O44 | C45 | C46 | C47 | 114.1° | 14.1° |
| C45 | O44 | C43 | H431 | 72.5° | 60.0° |
| C45 | O44 | C43 | H432 | 48.1° | 60.0° |
| O44 | C45 | H451 | H452 | 120.3° | 120.0° |
| N11 | C22 | C23 | H221 | 119.5° | 119.0° |
| N11 | C22 | C23 | H222 | 119.5° | 119.1° |
| N11 | C22 | H221 | H222 | 121.3° | 122.1° |
| N11 | C22 | C23 | H232 | 88.8° | 92.7° |
| N11 | C22 | C23 | H231 | 148.8° | 143.5° |
| C23 | C22 | H221 | H222 | 121.4° | 121.9° |
| C22 | C23 | C09 | H091 | 77.1° | 143.5° |
| C22 | C23 | H232 | H231 | 123.5° | 123.8° |
| C23 | C22 | N11 | H111 | 164.9° | 163.0° |
| C21 | C20 | H201 | H202 | 120.3° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 119.9° |
| C46 | C45 | H451 | H452 | 120.3° | 120.0° |
| C45 | C46 | C47 | H471 | 150.2° | 170.2° |
| C47 | C46 | C45 | H451 | 126.0° | 105.8° |
| C47 | C46 | C45 | H452 | 5.8° | 134.2° |
| H131 | C13 | C07 | H071 | 174.4° | 65.0° |
| H131 | C13 | C14 | H141 | 9.6° | 180.0° |
| H131 | C13 | C14 | H142 | 129.1° | 60.0° |
| H1 | C13 | C07 | H071 | 64.7° | 175.0° |
| H1 | C13 | C14 | H141 | 130.5° | 60.0° |
| H1 | C13 | C14 | H142 | 110.0° | 179.9° |
| H201 | C20 | C21 | H211 | 60.1° | 60.0° |
| H201 | C20 | C21 | H212 | 179.9° | 180.0° |
| H201 | C20 | C21 | H213 | 59.9° | 60.0° |
| H202 | C20 | C21 | H211 | 60.1° | 180.0° |
| H202 | C20 | C21 | H212 | 59.9° | 60.0° |
| H202 | C20 | C21 | H213 | 179.9° | 60.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.1° |
| H221 | C22 | C23 | H232 | 151.7° | 148.3° |
| H221 | C22 | C23 | H231 | 29.3° | 24.5° |
| H221 | C22 | N11 | H111 | 75.5° | 78.0° |
| H222 | C22 | C23 | H232 | 30.8° | 26.4° |
| H222 | C22 | C23 | H231 | 91.6° | 97.4° |
| H222 | C22 | N11 | H111 | 45.4° | 43.9° |
| H241 | C24 | C25 | H251 | 0.9° | 0.3° |
| H241 | C24 | C29 | H291 | 0.5° | 0.2° |
| H261 | C26 | C25 | H251 | 1.6° | 0.1° |
| H281 | C28 | C29 | H291 | 0.9° | 0.0° |
| H041 | C04 | C05 | H052 | 76.3° | 175.0° |
| H041 | C04 | C05 | H051 | 160.5° | 65.0° |
| H041 | C04 | N02 | H021 | 129.4° | 145.0° |
| H071 | C07 | C08 | H082 | 161.9° | 65.9° |
| H071 | C07 | C08 | H081 | 77.1° | 174.1° |
| H071 | C07 | N06 | H061 | 176.9° | 147.9° |
| H082 | C08 | C09 | H091 | 57.2° | 177.1° |
| H081 | C08 | C09 | H091 | 178.2° | 62.9° |
| H091 | C09 | C23 | H232 | 164.2° | 25.4° |
| H091 | C09 | C23 | H231 | 41.7° | 98.4° |
| H301 | C30 | C32 | H322 | 66.7° | 65.0° |
| H301 | C30 | C32 | H321 | 53.0° | 174.9° |
| H301 | C30 | N31 | H311 | 151.5° | 145.1° |
| H341 | C34 | C35 | H351 | 1.1° | 0.0° |
| H371 | C37 | C38 | H381 | 1.6° | 0.1° |
| H411 | C41 | C43 | H431 | 77.9° | 180.0° |
| H411 | C41 | C43 | H432 | 161.6° | 60.0° |
| H412 | C41 | C43 | H431 | 42.6° | 60.0° |
| H412 | C41 | C43 | H432 | 78.0° | 180.0° |
