YVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.38Å | 1.53Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.53Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.53Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.53Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.53Å | Aromatic |
| C27 | C05 | sing | 1.51Å | 1.53Å | |
| C32 | C36 | sing | 1.51Å | 1.56Å | |
| C32 | C30 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | doub | 1.38Å | 1.53Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.52Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.54Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.54Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | N02 | sing | 1.46Å | 1.42Å | |
| C04 | C18 | sing | 1.51Å | 1.55Å | |
| C38 | C33 | doub | 1.38Å | 1.53Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.53Å | Aromatic |
| N02 | C01 | sing | 1.35Å | 1.47Å | |
| O03 | C01 | doub | 1.21Å | 1.19Å | |
| C01 | C30 | sing | 1.51Å | 1.55Å | |
| C30 | N31 | sing | 1.46Å | 1.45Å | |
| N06 | C18 | sing | 1.35Å | 1.47Å | |
| N06 | C07 | sing | 1.46Å | 1.48Å | |
| N31 | C39 | sing | 1.35Å | 1.47Å | |
| C18 | O19 | doub | 1.21Å | 1.19Å | |
| C13 | C07 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| O12 | C10 | doub | 1.21Å | 1.19Å | |
| C08 | C07 | sing | 1.53Å | 1.50Å | |
| C08 | C09 | sing | 1.53Å | 1.62Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C39 | C40 | sing | 1.51Å | 1.55Å | |
| C39 | O41 | doub | 1.21Å | 1.18Å | |
| C09 | C10 | sing | 1.51Å | 1.44Å | |
| C09 | C23 | sing | 1.55Å | 1.55Å | |
| C10 | N11 | sing | 1.34Å | 1.52Å | |
| C15 | O17 | doub | 1.21Å | 1.20Å | |
| C15 | O16 | sing | 1.34Å | 1.42Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C44 | C45 | sing | 1.47Å | 1.54Å | |
| C44 | O43 | sing | 1.43Å | 1.40Å | |
| C46 | C45 | trip | 1.17Å | 1.18Å | |
| O16 | C20 | sing | 1.45Å | 1.41Å | |
| O43 | C42 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| N11 | C22 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | 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 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | 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 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | 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 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | 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) |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C25 | C24 | C29 | 120.4° | 120.0° |
| C25 | C24 | H241 | 119.8° | 120.0° |
| C24 | C25 | H251 | 120.0° | 120.0° |
| C25 | C26 | C27 | 119.3° | 120.0° |
| C25 | C26 | H261 | 120.3° | 120.0° |
| C26 | C25 | H251 | 120.0° | 120.0° |
| C24 | C29 | C28 | 119.9° | 120.0° |
| C29 | C24 | H241 | 119.8° | 120.0° |
| C24 | C29 | H291 | 120.1° | 120.0° |
| C26 | C27 | C28 | 120.7° | 120.0° |
| C26 | C27 | C05 | 121.0° | 120.0° |
| C27 | C26 | H261 | 120.4° | 120.0° |
| C29 | C28 | C27 | 119.7° | 120.0° |
| C29 | C28 | H281 | 120.1° | 120.0° |
| C28 | C29 | H291 | 120.1° | 120.1° |
| C28 | C27 | C05 | 118.3° | 120.0° |
| C27 | C28 | H281 | 120.2° | 120.0° |
| C27 | C05 | C04 | 112.9° | 109.5° |
| C27 | C05 | H052 | 108.6° | 109.4° |
| C27 | C05 | H051 | 108.6° | 109.5° |
| C36 | C32 | C30 | 107.8° | 109.4° |
| C32 | C36 | C37 | 120.0° | 120.0° |
| C32 | C36 | C35 | 118.8° | 120.0° |
| C36 | C32 | H321 | 109.9° | 109.5° |
| C36 | C32 | H322 | 109.9° | 109.5° |
| C32 | C30 | C01 | 108.9° | 109.4° |
| C32 | C30 | N31 | 109.7° | 109.5° |
| C32 | C30 | H301 | 110.4° | 109.5° |
| C30 | C32 | H321 | 109.9° | 109.5° |
| C30 | C32 | H322 | 109.9° | 109.4° |
| C37 | C36 | C35 | 121.1° | 119.9° |
| C36 | C37 | C38 | 119.7° | 120.0° |
| C36 | C37 | H371 | 120.1° | 119.9° |
| C36 | C35 | C34 | 119.2° | 120.0° |
| C36 | C35 | H351 | 120.5° | 120.0° |
| C37 | C38 | C33 | 119.5° | 120.0° |
| C38 | C37 | H371 | 120.1° | 120.0° |
| C37 | C38 | H381 | 120.2° | 120.0° |
| C35 | C34 | C33 | 120.0° | 120.0° |
| C35 | C34 | H341 | 120.0° | 120.0° |
| C34 | C35 | H351 | 120.4° | 120.0° |
| C05 | C04 | N02 | 114.7° | 109.4° |
| C05 | C04 | C18 | 100.6° | 109.5° |
| C05 | C04 | H041 | 109.6° | 109.5° |
| C04 | C05 | H052 | 108.6° | 109.5° |
| C04 | C05 | H051 | 108.6° | 109.5° |
| N02 | C04 | C18 | 111.0° | 109.5° |
| C04 | N02 | C01 | 116.3° | 120.0° |
| N02 | C04 | H041 | 111.1° | 109.5° |
| C04 | N02 | H021 | 121.8° | 120.0° |
| C04 | C18 | N06 | 118.5° | 120.0° |
| C04 | C18 | O19 | 120.0° | 120.0° |
| C18 | C04 | H041 | 109.3° | 109.5° |
| C38 | C33 | C34 | 120.5° | 120.0° |
| C38 | C33 | H331 | 119.8° | 120.0° |
| C33 | C38 | H381 | 120.3° | 120.0° |
| C34 | C33 | H331 | 119.8° | 120.1° |
| C33 | C34 | H341 | 120.0° | 120.0° |
| N02 | C01 | O03 | 119.5° | 120.0° |
| N02 | C01 | C30 | 121.5° | 120.0° |
| C01 | N02 | H021 | 121.9° | 120.0° |
| O03 | C01 | C30 | 119.1° | 120.0° |
| C01 | C30 | N31 | 106.6° | 109.5° |
| C01 | C30 | H301 | 109.9° | 109.4° |
| C30 | N31 | C39 | 123.5° | 120.0° |
| N31 | C30 | H301 | 111.2° | 109.5° |
| C30 | N31 | H311 | 118.3° | 120.0° |
| C18 | N06 | C07 | 121.7° | 120.0° |
| N06 | C18 | O19 | 121.4° | 120.0° |
| C18 | N06 | H061 | 119.1° | 120.0° |
| N06 | C07 | C13 | 101.6° | 109.5° |
| N06 | C07 | C08 | 110.7° | 109.5° |
| N06 | C07 | H071 | 109.7° | 109.5° |
| C07 | N06 | H061 | 119.1° | 120.0° |
| N31 | C39 | C40 | 117.4° | 120.0° |
| N31 | C39 | O41 | 122.2° | 120.1° |
| C39 | N31 | H311 | 118.2° | 120.1° |
| C07 | C13 | C14 | 110.6° | 109.5° |
| C13 | C07 | C08 | 116.2° | 109.5° |
| C07 | C13 | H1 | 109.2° | 109.5° |
| C07 | C13 | H131 | 109.2° | 109.4° |
| C13 | C07 | H071 | 108.9° | 109.5° |
| C13 | C14 | C15 | 113.6° | 109.5° |
| C14 | C13 | H1 | 109.2° | 109.5° |
| C14 | C13 | H131 | 109.2° | 109.5° |
| C13 | C14 | H142 | 108.4° | 109.5° |
| C13 | C14 | H141 | 108.4° | 109.5° |
| O12 | C10 | C09 | 123.7° | 124.9° |
| O12 | C10 | N11 | 127.6° | 124.9° |
| C07 | C08 | C09 | 109.1° | 109.4° |
| C08 | C07 | H071 | 109.4° | 109.4° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | C08 | H081 | 109.6° | 109.5° |
| C08 | C09 | C10 | 105.3° | 110.5° |
| C08 | C09 | C23 | 109.2° | 110.5° |
| C09 | C08 | H082 | 109.6° | 109.5° |
| C09 | C08 | H081 | 109.6° | 109.4° |
| C08 | C09 | H091 | 111.5° | 110.4° |
| C14 | C15 | O17 | 120.4° | 120.0° |
| C14 | C15 | O16 | 119.5° | 120.0° |
| C15 | C14 | H142 | 108.4° | 109.5° |
| C15 | C14 | H141 | 108.5° | 109.5° |
| C40 | C39 | O41 | 120.4° | 119.9° |
| C39 | C40 | C42 | 112.2° | 109.5° |
| C39 | C40 | H402 | 108.8° | 109.5° |
| C39 | C40 | H401 | 108.8° | 109.5° |
| C10 | C09 | C23 | 103.5° | 104.2° |
| C09 | C10 | N11 | 108.7° | 110.2° |
| C10 | C09 | H091 | 114.4° | 110.5° |
| C09 | C23 | C22 | 104.1° | 101.7° |
| C23 | C09 | H091 | 112.5° | 110.6° |
| C09 | C23 | H232 | 110.8° | 111.0° |
| C09 | C23 | H231 | 110.8° | 111.0° |
| C10 | N11 | C22 | 107.7° | 111.3° |
| C10 | N11 | H111 | 126.1° | 124.4° |
| O17 | C15 | O16 | 120.1° | 120.0° |
| C15 | O16 | C20 | 117.2° | 117.0° |
| C40 | C42 | O43 | 110.9° | 109.4° |
| C42 | C40 | H402 | 108.8° | 109.5° |
| C42 | C40 | H401 | 108.8° | 109.5° |
| C40 | C42 | H422 | 109.1° | 109.5° |
| C40 | C42 | H421 | 109.1° | 109.5° |
| C45 | C44 | O43 | 110.6° | 109.5° |
| C44 | C45 | C46 | 178.8° | 180.0° |
| C45 | C44 | H442 | 109.2° | 109.5° |
| C45 | C44 | H441 | 109.2° | 109.5° |
| C44 | O43 | C42 | 114.5° | 114.0° |
| O43 | C44 | H442 | 109.2° | 109.5° |
| O43 | C44 | H441 | 109.2° | 109.4° |
| C45 | C46 | H461 | 180.0° | 180.0° |
| O16 | C20 | C21 | 110.4° | 109.5° |
| O16 | C20 | H201 | 109.3° | 109.4° |
| O16 | C20 | H202 | 109.2° | 109.4° |
| O43 | C42 | H422 | 109.1° | 109.5° |
| O43 | C42 | H421 | 109.1° | 109.5° |
| C23 | C22 | N11 | 103.8° | 105.5° |
| C23 | C22 | H222 | 110.9° | 110.3° |
| C23 | C22 | H221 | 110.9° | 110.2° |
| C22 | C23 | H232 | 110.8° | 111.0° |
| C22 | C23 | H231 | 110.8° | 111.0° |
| N11 | C22 | H222 | 110.9° | 110.2° |
| N11 | C22 | H221 | 110.9° | 110.3° |
| C22 | N11 | H111 | 126.1° | 124.4° |
| C21 | C20 | H201 | 109.2° | 109.5° |
| C21 | C20 | H202 | 109.2° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| H1 | C13 | H131 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 110.2° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.5° | 110.9° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C25 | C24 | C29 | H241 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 0.4° | 0.1° |
| C25 | C24 | C29 | C28 | 0.2° | 0.2° |
| C24 | C25 | C26 | H261 | 179.6° | 179.7° |
| C25 | C24 | C29 | H291 | 179.8° | 179.7° |
| C26 | C25 | C24 | C29 | 0.2° | 0.1° |
| C25 | C26 | C27 | H261 | 180.0° | 179.8° |
| C25 | C26 | C27 | C28 | 0.6° | 0.2° |
| C25 | C26 | C27 | C05 | 179.8° | 179.7° |
| C26 | C25 | C24 | H241 | 179.8° | 179.7° |
| C24 | C29 | C28 | H291 | 180.0° | 179.9° |
| C24 | C29 | C28 | C27 | 0.4° | 0.5° |
| C24 | C29 | C28 | H281 | 179.6° | 180.0° |
| C29 | C24 | C25 | H251 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.5° |
| C26 | C27 | C28 | C05 | 179.2° | 179.9° |
| C26 | C27 | C05 | C04 | 18.9° | 90.0° |
| C26 | C27 | C28 | H281 | 179.4° | 180.0° |
| C26 | C27 | C05 | H052 | 101.6° | 30.0° |
| C26 | C27 | C05 | H051 | 139.4° | 150.0° |
| C27 | C26 | C25 | H251 | 179.6° | 179.9° |
| C29 | C28 | C27 | H281 | 180.0° | 179.5° |
| C29 | C28 | C27 | C05 | 179.8° | 179.5° |
| C28 | C29 | C24 | H241 | 179.8° | 180.0° |
| C28 | C27 | C05 | C04 | 161.9° | 90.0° |
| C28 | C27 | C26 | H261 | 179.4° | 179.9° |
| C28 | C27 | C05 | H052 | 77.6° | 150.0° |
| C28 | C27 | C05 | H051 | 41.4° | 30.1° |
| C27 | C28 | C29 | H291 | 179.6° | 179.5° |
| C27 | C05 | C04 | H052 | 120.5° | 120.0° |
| C27 | C05 | C04 | H051 | 120.5° | 120.0° |
| C27 | C05 | C04 | N02 | 63.9° | 65.0° |
| C27 | C05 | C04 | C18 | 177.0° | 175.0° |
| C05 | C27 | C26 | H261 | 0.2° | 0.0° |
| C05 | C27 | C28 | H281 | 0.2° | 0.1° |
| C27 | C05 | C04 | H041 | 61.9° | 55.0° |
| C27 | C05 | H052 | H051 | 118.4° | 120.0° |
| C36 | C32 | C30 | H321 | 119.7° | 120.0° |
| C36 | C32 | C30 | H322 | 119.7° | 119.9° |
| C32 | C36 | C37 | C35 | 179.4° | 180.0° |
| C32 | C36 | C37 | C38 | 179.7° | 179.7° |
| C32 | C36 | C35 | C34 | 179.9° | 180.0° |
| C36 | C32 | C30 | C01 | 168.5° | 175.0° |
| C36 | C32 | C30 | N31 | 75.1° | 65.0° |
| C36 | C32 | C30 | H301 | 47.8° | 55.0° |
| C36 | C32 | H321 | H322 | 120.8° | 120.0° |
| C32 | C36 | C35 | H351 | 0.1° | 0.0° |
| C32 | C36 | C37 | H371 | 0.3° | 0.0° |
| C30 | C32 | C36 | C37 | 87.3° | 90.0° |
| C30 | C32 | C36 | C35 | 92.2° | 90.0° |
| C32 | C30 | C01 | N02 | 80.5° | 60.0° |
| C32 | C30 | C01 | O03 | 99.7° | 120.0° |
| C32 | C30 | C01 | N31 | 118.3° | 120.0° |
| C32 | C30 | C01 | H301 | 121.0° | 120.0° |
| C32 | C30 | N31 | H301 | 122.4° | 120.1° |
| C32 | C30 | N31 | C39 | 119.0° | 85.1° |
| C30 | C32 | H321 | H322 | 120.8° | 120.0° |
| C32 | C30 | N31 | H311 | 60.9° | 95.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.7° |
| C37 | C36 | C35 | C34 | 0.4° | 0.0° |
| C36 | C37 | C38 | C33 | 0.8° | 0.6° |
| C37 | C36 | C32 | H321 | 32.4° | 30.0° |
| C37 | C36 | C32 | H322 | 153.0° | 150.0° |
| C37 | C36 | C35 | H351 | 179.5° | 180.0° |
| C36 | C37 | C38 | H381 | 179.2° | 180.0° |
| C35 | C36 | C37 | C38 | 0.8° | 0.3° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.0° |
| C35 | C36 | C32 | H321 | 148.1° | 150.0° |
| C35 | C36 | C32 | H322 | 27.6° | 29.9° |
| C36 | C35 | C34 | H341 | 179.9° | 180.0° |
| C35 | C36 | C37 | H371 | 179.2° | 180.0° |
| C37 | C38 | C33 | H381 | 180.0° | 179.4° |
| C37 | C38 | C33 | C34 | 0.5° | 0.6° |
| C37 | C38 | C33 | H331 | 179.5° | 179.7° |
| C35 | C34 | C33 | C38 | 0.1° | 0.3° |
| C35 | C34 | C33 | H341 | 180.0° | 180.0° |
| C35 | C34 | C33 | H331 | 179.9° | 180.0° |
| C05 | C04 | N02 | C18 | 113.1° | 119.9° |
| C05 | C04 | N02 | H041 | 125.0° | 120.0° |
| C05 | C04 | C18 | H041 | 115.3° | 120.0° |
| C05 | C04 | N02 | C01 | 177.8° | 85.0° |
| C05 | C04 | C18 | N06 | 93.8° | 60.0° |
| C05 | C04 | C18 | O19 | 83.0° | 120.0° |
| C04 | C05 | H052 | H051 | 118.4° | 120.0° |
| C05 | C04 | N02 | H021 | 2.2° | 95.0° |
| N02 | C04 | C18 | H041 | 122.9° | 120.1° |
| C04 | N02 | C01 | H021 | 180.0° | 180.0° |
| C04 | N02 | C01 | O03 | 1.4° | 0.0° |
| C04 | N02 | C01 | C30 | 178.8° | 180.0° |
| N02 | C04 | C18 | N06 | 144.4° | 180.0° |
| N02 | C04 | C18 | O19 | 38.8° | 0.1° |
| N02 | C04 | C05 | H052 | 175.6° | 55.0° |
| N02 | C04 | C05 | H051 | 56.6° | 175.0° |
| C18 | C04 | N02 | C01 | 64.6° | 155.0° |
| C04 | C18 | N06 | O19 | 176.8° | 180.0° |
| C04 | C18 | N06 | C07 | 178.0° | 175.0° |
| C18 | C04 | C05 | H052 | 56.5° | 65.0° |
| C18 | C04 | C05 | H051 | 62.5° | 55.0° |
| C18 | C04 | N02 | H021 | 115.3° | 24.9° |
| C04 | C18 | N06 | H061 | 1.9° | 5.0° |
| C38 | C33 | C34 | H331 | 180.0° | 179.8° |
| C38 | C33 | C34 | H341 | 179.9° | 179.7° |
| C33 | C38 | C37 | H371 | 179.2° | 179.7° |
| C33 | C34 | C35 | H351 | 179.9° | 180.0° |
| C34 | C33 | C38 | H381 | 179.5° | 179.9° |
| N02 | C01 | O03 | C30 | 179.8° | 180.0° |
| N02 | C01 | C30 | N31 | 161.1° | 180.0° |
| C01 | N02 | C04 | H041 | 57.2° | 34.9° |
| N02 | C01 | C30 | H301 | 40.5° | 60.0° |
| O03 | C01 | C30 | N31 | 18.7° | 0.0° |
| O03 | C01 | C30 | H301 | 139.3° | 120.0° |
| O03 | C01 | N02 | H021 | 178.6° | 180.0° |
| C01 | C30 | N31 | H301 | 119.8° | 120.0° |
| C01 | C30 | N31 | C39 | 123.1° | 155.0° |
| C01 | C30 | C32 | H321 | 71.7° | 55.0° |
| C01 | C30 | C32 | H322 | 48.8° | 65.0° |
| C30 | C01 | N02 | H021 | 1.2° | 0.0° |
| C01 | C30 | N31 | H311 | 56.9° | 25.0° |
| C30 | N31 | C39 | H311 | 180.0° | 180.0° |
| C30 | N31 | C39 | C40 | 179.6° | 180.0° |
| C30 | N31 | C39 | O41 | 0.7° | 0.0° |
| N31 | C30 | C32 | H321 | 44.6° | 175.0° |
| N31 | C30 | C32 | H322 | 165.2° | 54.9° |
| C18 | N06 | C07 | H061 | 180.0° | 180.0° |
| C18 | N06 | C07 | C13 | 121.6° | 152.0° |
| C18 | N06 | C07 | C08 | 114.4° | 87.9° |
| N06 | C18 | C04 | H041 | 21.5° | 60.0° |
| C18 | N06 | C07 | H071 | 6.4° | 32.0° |
| C07 | N06 | C18 | O19 | 1.2° | 5.1° |
| N06 | C07 | C13 | C08 | 120.2° | 120.0° |
| N06 | C07 | C13 | H071 | 115.7° | 120.0° |
| N06 | C07 | C13 | C14 | 70.1° | 65.0° |
| N06 | C07 | C08 | H071 | 121.0° | 120.0° |
| N06 | C07 | C08 | C09 | 76.5° | 174.0° |
| N06 | C07 | C13 | H1 | 169.7° | 175.0° |
| N06 | C07 | C13 | H131 | 50.0° | 55.0° |
| N06 | C07 | C08 | H082 | 43.5° | 54.1° |
| N06 | C07 | C08 | H081 | 163.6° | 66.0° |
| N31 | C39 | C40 | O41 | 179.7° | 180.0° |
| N31 | C39 | C40 | C42 | 165.5° | 180.0° |
| C39 | N31 | C30 | H301 | 3.4° | 35.0° |
| N31 | C39 | C40 | H402 | 45.1° | 60.0° |
| N31 | C39 | C40 | H401 | 74.0° | 60.0° |
| O19 | C18 | C04 | H041 | 161.7° | 120.0° |
| O19 | C18 | N06 | H061 | 178.7° | 175.0° |
| C07 | C13 | C14 | H1 | 120.2° | 120.0° |
| C07 | C13 | C14 | H131 | 120.1° | 120.0° |
| C13 | C07 | C08 | H071 | 123.8° | 120.0° |
| C13 | C07 | C08 | C09 | 168.3° | 65.9° |
| C07 | C13 | C14 | C15 | 139.3° | 180.0° |
| C07 | C13 | H1 | H131 | 119.5° | 120.0° |
| C13 | C07 | C08 | H082 | 71.7° | 174.1° |
| C13 | C07 | C08 | H081 | 48.3° | 54.0° |
| C07 | C13 | C14 | H142 | 100.1° | 59.9° |
| C07 | C13 | C14 | H141 | 18.7° | 60.0° |
| C13 | C07 | N06 | H061 | 58.4° | 28.0° |
| C14 | C13 | C07 | C08 | 169.7° | 175.0° |
| C13 | C14 | C15 | H142 | 120.6° | 120.0° |
| C13 | C14 | C15 | H141 | 120.6° | 120.0° |
| C13 | C14 | C15 | O17 | 2.5° | 0.0° |
| C13 | C14 | C15 | O16 | 176.3° | 180.0° |
| C14 | C13 | H1 | H131 | 119.5° | 120.0° |
| C14 | C13 | C07 | H071 | 45.6° | 55.0° |
| C13 | C14 | H142 | H141 | 118.1° | 120.0° |
| O12 | C10 | C09 | C08 | 45.3° | 77.9° |
| O12 | C10 | C09 | N11 | 179.6° | 179.8° |
| O12 | C10 | C09 | C23 | 159.9° | 163.5° |
| O12 | C10 | N11 | C22 | 179.1° | 179.8° |
| O12 | C10 | C09 | H091 | 77.4° | 44.7° |
| O12 | C10 | N11 | H111 | 0.9° | 0.1° |
| C07 | C08 | C09 | H082 | 119.9° | 120.0° |
| C07 | C08 | C09 | H081 | 120.0° | 120.0° |
| C07 | C08 | C09 | C10 | 169.1° | 65.5° |
| C07 | C08 | C09 | C23 | 58.5° | 179.8° |
| C08 | C07 | C13 | H1 | 49.5° | 55.0° |
| C08 | C07 | C13 | H131 | 70.2° | 65.0° |
| C07 | C08 | H082 | H081 | 120.1° | 120.0° |
| C07 | C08 | C09 | H091 | 66.4° | 57.1° |
| C08 | C07 | N06 | H061 | 65.7° | 92.1° |
| C08 | C09 | C10 | C23 | 114.6° | 118.7° |
| C08 | C09 | C10 | H091 | 122.7° | 122.6° |
| C08 | C09 | C23 | H091 | 124.3° | 122.6° |
| C08 | C09 | C10 | N11 | 134.4° | 102.4° |
| C08 | C09 | C23 | C22 | 144.8° | 93.9° |
| C09 | C08 | C07 | H071 | 44.5° | 54.1° |
| C09 | C08 | H082 | H081 | 120.2° | 120.0° |
| C08 | C09 | C23 | H232 | 25.7° | 148.0° |
| C08 | C09 | C23 | H231 | 96.0° | 24.2° |
| C14 | C15 | O17 | O16 | 178.8° | 180.0° |
| C14 | C15 | O16 | C20 | 110.5° | 180.0° |
| C15 | C14 | C13 | H1 | 19.1° | 60.0° |
| C15 | C14 | C13 | H131 | 100.5° | 60.0° |
| C15 | C14 | H142 | H141 | 118.1° | 120.0° |
| C39 | C40 | C42 | H402 | 120.4° | 120.0° |
| C39 | C40 | C42 | H401 | 120.4° | 120.0° |
| C39 | C40 | C42 | O43 | 49.5° | 180.0° |
| C39 | C40 | H402 | H401 | 118.7° | 120.0° |
| C39 | C40 | C42 | H422 | 169.7° | 60.0° |
| C39 | C40 | C42 | H421 | 70.7° | 60.0° |
| C40 | C39 | N31 | H311 | 0.4° | 0.0° |
| O41 | C39 | C40 | C42 | 14.1° | 0.0° |
| O41 | C39 | C40 | H402 | 134.5° | 120.0° |
| O41 | C39 | C40 | H401 | 106.3° | 120.0° |
| O41 | C39 | N31 | H311 | 179.2° | 180.0° |
| C10 | C09 | C23 | H091 | 123.9° | 118.7° |
| C10 | C09 | C23 | C22 | 33.1° | 24.8° |
| C09 | C10 | N11 | C22 | 1.3° | 0.4° |
| C10 | C09 | C08 | H082 | 70.9° | 54.5° |
| C10 | C09 | C08 | H081 | 49.1° | 174.6° |
| C10 | C09 | C23 | H232 | 86.0° | 93.3° |
| C10 | C09 | C23 | H231 | 152.2° | 142.9° |
| C09 | C10 | N11 | H111 | 178.7° | 179.6° |
| C23 | C09 | C10 | N11 | 19.8° | 16.3° |
| C09 | C23 | C22 | H232 | 119.2° | 118.1° |
| C09 | C23 | C22 | H231 | 119.1° | 118.1° |
| C09 | C23 | C22 | N11 | 33.9° | 25.5° |
| C09 | C23 | C22 | H222 | 153.0° | 93.6° |
| C09 | C23 | C22 | H221 | 85.1° | 144.5° |
| C23 | C09 | C08 | H082 | 178.5° | 60.2° |
| C23 | C09 | C08 | H081 | 61.4° | 59.8° |
| C09 | C23 | H232 | H231 | 122.5° | 123.8° |
| C10 | N11 | C22 | C23 | 22.1° | 17.1° |
| C10 | N11 | C22 | H111 | 180.0° | 179.9° |
| C10 | N11 | C22 | H222 | 141.2° | 102.0° |
| C10 | N11 | C22 | H221 | 96.9° | 136.1° |
| N11 | C10 | C09 | H091 | 102.9° | 135.1° |
| O17 | C15 | O16 | C20 | 70.7° | 0.0° |
| O17 | C15 | C14 | H142 | 123.0° | 120.0° |
| O17 | C15 | C14 | H141 | 118.2° | 120.0° |
| C15 | O16 | C20 | C21 | 136.5° | 180.0° |
| C15 | O16 | C20 | H201 | 16.3° | 60.0° |
| C15 | O16 | C20 | H202 | 103.4° | 60.0° |
| O16 | C15 | C14 | H142 | 55.7° | 60.0° |
| O16 | C15 | C14 | H141 | 63.0° | 60.0° |
| C40 | C42 | O43 | C44 | 80.3° | 180.0° |
| C40 | C42 | O43 | H422 | 120.2° | 120.0° |
| C40 | C42 | O43 | H421 | 120.2° | 120.0° |
| C42 | C40 | H402 | H401 | 118.8° | 120.0° |
| C40 | C42 | H422 | H421 | 119.4° | 120.0° |
| C45 | C44 | O43 | H442 | 120.2° | 120.1° |
| C45 | C44 | O43 | H441 | 120.2° | 120.0° |
| C45 | C44 | O43 | C42 | 168.1° | 180.0° |
| C45 | C44 | H442 | H441 | 119.5° | 120.0° |
| C44 | C45 | C46 | H461 | 173.7° | 144.4° |
| O43 | C44 | C45 | C46 | 137.3° | 15.6° |
| C44 | O43 | C42 | H422 | 39.9° | 60.1° |
| C44 | O43 | C42 | H421 | 159.5° | 60.0° |
| O43 | C44 | H442 | H441 | 119.5° | 120.0° |
| C46 | C45 | C44 | H442 | 102.6° | 104.5° |
| C46 | C45 | C44 | H441 | 17.1° | 135.6° |
| O16 | C20 | C21 | H201 | 120.2° | 120.0° |
| O16 | C20 | C21 | H202 | 120.2° | 120.0° |
| O16 | C20 | H201 | H202 | 119.6° | 119.9° |
| O16 | C20 | C21 | H211 | 180.0° | 180.0° |
| O16 | C20 | C21 | H212 | 60.0° | 60.0° |
| O16 | C20 | C21 | H213 | 60.0° | 60.0° |
| O43 | C42 | C40 | H402 | 70.9° | 60.0° |
| O43 | C42 | C40 | H401 | 169.9° | 60.0° |
| O43 | C42 | H422 | H421 | 119.3° | 120.0° |
| C42 | O43 | C44 | H442 | 47.9° | 59.9° |
| C42 | O43 | C44 | H441 | 71.7° | 60.0° |
| C23 | C22 | N11 | H222 | 119.1° | 119.1° |
| C23 | C22 | N11 | H221 | 119.1° | 119.0° |
| C23 | C22 | H222 | H221 | 122.7° | 122.0° |
| C22 | C23 | C09 | H091 | 90.8° | 143.5° |
| C22 | C23 | H232 | H231 | 122.5° | 123.8° |
| C23 | C22 | N11 | H111 | 157.8° | 163.0° |
| N11 | C22 | H222 | H221 | 122.6° | 122.0° |
| N11 | C22 | C23 | H232 | 85.2° | 92.6° |
| N11 | C22 | C23 | H231 | 153.1° | 143.5° |
| C21 | C20 | H201 | H202 | 119.6° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| H1 | C13 | C07 | H071 | 74.6° | 65.0° |
| H1 | C13 | C14 | H142 | 139.7° | 180.0° |
| H1 | C13 | C14 | H141 | 101.5° | 60.0° |
| H131 | C13 | C07 | H071 | 165.8° | 175.0° |
| H131 | C13 | C14 | H142 | 20.1° | 60.0° |
| H131 | C13 | C14 | H141 | 138.8° | 180.0° |
| H201 | C20 | C21 | H211 | 59.8° | 60.0° |
| H201 | C20 | C21 | H212 | 179.8° | 60.0° |
| H201 | C20 | C21 | H213 | 60.1° | 180.0° |
| H202 | C20 | C21 | H211 | 59.9° | 60.0° |
| H202 | C20 | C21 | H212 | 60.2° | 180.0° |
| H202 | C20 | C21 | H213 | 179.8° | 60.0° |
| H211 | C21 | H212 | H213 | 119.9° | 120.0° |
| H222 | C22 | C23 | H232 | 33.9° | 148.3° |
| H222 | C22 | C23 | H231 | 87.8° | 24.5° |
| H222 | C22 | N11 | H111 | 38.7° | 77.9° |
| H221 | C22 | C23 | H232 | 155.7° | 26.4° |
| H221 | C22 | C23 | H231 | 34.0° | 97.4° |
| H221 | C22 | N11 | H111 | 83.1° | 44.0° |
| H241 | C24 | C25 | H251 | 0.2° | 0.3° |
| H241 | C24 | C29 | H291 | 0.2° | 0.0° |
| H261 | C26 | C25 | H251 | 0.4° | 0.3° |
| H281 | C28 | C29 | H291 | 0.4° | 0.1° |
| H041 | C04 | C05 | H052 | 58.6° | 174.9° |
| H041 | C04 | C05 | H051 | 177.6° | 65.0° |
| H041 | C04 | N02 | H021 | 122.8° | 145.0° |
| H071 | C07 | C08 | H082 | 164.5° | 65.9° |
| H071 | C07 | C08 | H081 | 75.5° | 174.0° |
| H071 | C07 | N06 | H061 | 173.6° | 148.0° |
| H082 | C08 | C09 | H091 | 53.6° | 177.1° |
| H081 | C08 | C09 | H091 | 173.7° | 62.8° |
| H091 | C09 | C23 | H232 | 150.0° | 25.4° |
| H091 | C09 | C23 | H231 | 28.3° | 98.4° |
| H301 | C30 | C32 | H321 | 167.5° | 65.0° |
| H301 | C30 | C32 | H322 | 71.9° | 175.0° |
| H301 | C30 | N31 | H311 | 176.7° | 145.0° |
| H331 | C33 | C34 | H341 | 0.1° | 0.0° |
| H331 | C33 | C38 | H381 | 0.5° | 0.3° |
| H341 | C34 | C35 | H351 | 0.1° | 0.0° |
| H371 | C37 | C38 | H381 | 0.8° | 0.4° |
| H402 | C40 | C42 | H422 | 49.3° | 180.0° |
| H402 | C40 | C42 | H421 | 168.9° | 60.0° |
| H401 | C40 | C42 | H422 | 69.9° | 60.0° |
| H401 | C40 | C42 | H421 | 49.7° | 180.0° |
