VQY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C02 | sing | 1.54Å | 1.54Å | |
| C04 | C05 | sing | 1.54Å | 1.52Å | |
| C02 | O03 | sing | 1.43Å | 1.36Å | |
| C02 | C01 | sing | 1.54Å | 1.54Å | |
| C16 | C15 | sing | 1.48Å | 1.53Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.55Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.61Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C15 | C22 | doub | 1.32Å | 1.43Å | |
| C15 | C06 | sing | 1.51Å | 1.59Å | |
| C22 | C43 | sing | 1.48Å | 1.52Å | |
| C18 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C06 | C01 | sing | 1.55Å | 1.47Å | |
| C06 | C07 | sing | 1.51Å | 1.60Å | |
| C01 | C43 | sing | 1.55Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.60Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C07 | C14 | doub | 1.32Å | 1.31Å | |
| C07 | C08 | sing | 1.48Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | doub | 1.40Å | 1.37Å | Aromatic |
| C08 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.59Å | |
| C09 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.59Å | |
| C12 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.60Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | |
| C31 | O32 | sing | 1.43Å | 1.40Å | |
| O41 | P33 | doub | 1.48Å | 1.52Å | |
| O32 | P33 | sing | 1.61Å | 1.67Å | |
| P33 | O34 | sing | 1.61Å | 1.69Å | |
| P33 | O42 | sing | 1.61Å | 1.51Å | |
| O34 | C35 | sing | 1.43Å | 1.44Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C39 | N37 | sing | 1.47Å | 1.46Å | |
| C36 | N37 | sing | 1.47Å | 1.48Å | |
| N37 | C38 | sing | 1.47Å | 1.48Å | |
| N37 | C40 | sing | 1.47Å | 1.48Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | 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 | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å | |
| O42 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 120.0° | 120.2° |
| C20 | C21 | C16 | 120.1° | 119.8° |
| C21 | C20 | H201 | 120.0° | 119.9° |
| C20 | C21 | H211 | 120.0° | 120.1° |
| C20 | C19 | C18 | 119.8° | 120.3° |
| C20 | C19 | H191 | 120.1° | 119.9° |
| C19 | C20 | H201 | 120.0° | 119.9° |
| C21 | C16 | C15 | 119.4° | 120.1° |
| C21 | C16 | C17 | 120.2° | 119.7° |
| C16 | C21 | H211 | 120.0° | 120.0° |
| C19 | C18 | C17 | 120.0° | 120.1° |
| C19 | C18 | H181 | 120.0° | 119.9° |
| C18 | C19 | H191 | 120.1° | 119.8° |
| C02 | C04 | C05 | 106.6° | 107.2° |
| C04 | C02 | O03 | 110.6° | 110.1° |
| C04 | C02 | C01 | 105.2° | 106.1° |
| C04 | C02 | H021 | 109.3° | 110.2° |
| C02 | C04 | H042 | 110.2° | 109.9° |
| C02 | C04 | H041 | 110.2° | 109.9° |
| C04 | C05 | C06 | 106.8° | 107.7° |
| C05 | C04 | H042 | 110.2° | 109.9° |
| C05 | C04 | H041 | 110.1° | 109.9° |
| C04 | C05 | H051 | 110.1° | 109.9° |
| C04 | C05 | H052 | 110.1° | 109.9° |
| O03 | C02 | C01 | 110.4° | 110.2° |
| O03 | C02 | H021 | 111.9° | 110.1° |
| C02 | O03 | H031 | 109.5° | 114.0° |
| C02 | C01 | C06 | 107.1° | 105.4° |
| C02 | C01 | C43 | 105.1° | 108.6° |
| C02 | C01 | H011 | 112.3° | 113.3° |
| C01 | C02 | H021 | 109.3° | 110.1° |
| C15 | C16 | C17 | 120.5° | 120.1° |
| C16 | C15 | C22 | 125.7° | 124.6° |
| C16 | C15 | C06 | 126.1° | 124.6° |
| C16 | C17 | C18 | 120.0° | 119.8° |
| C16 | C17 | H171 | 120.0° | 120.1° |
| C05 | C06 | C15 | 117.5° | 110.1° |
| C05 | C06 | C01 | 104.9° | 105.1° |
| C05 | C06 | C07 | 110.1° | 111.7° |
| C06 | C05 | H051 | 110.1° | 109.2° |
| C06 | C05 | H052 | 110.1° | 110.3° |
| C22 | C23 | C24 | 111.5° | 109.5° |
| C23 | C22 | C15 | 124.9° | 124.6° |
| C23 | C22 | C43 | 125.4° | 124.2° |
| C22 | C23 | H232 | 108.9° | 109.5° |
| C22 | C23 | H231 | 108.9° | 109.5° |
| C23 | C24 | C25 | 112.3° | 109.5° |
| C24 | C23 | H232 | 109.0° | 109.4° |
| C24 | C23 | H231 | 109.0° | 109.4° |
| C23 | C24 | H241 | 108.7° | 109.5° |
| C23 | C24 | H242 | 108.7° | 109.5° |
| C22 | C15 | C06 | 108.1° | 110.9° |
| C15 | C22 | C43 | 107.6° | 111.2° |
| C15 | C06 | C01 | 106.4° | 104.1° |
| C15 | C06 | C07 | 107.7° | 112.3° |
| C22 | C43 | C01 | 107.2° | 105.5° |
| C22 | C43 | H432 | 110.1° | 110.8° |
| C22 | C43 | H431 | 110.1° | 109.4° |
| C18 | C17 | H171 | 120.0° | 120.1° |
| C17 | C18 | H181 | 120.0° | 119.9° |
| C01 | C06 | C07 | 110.0° | 113.1° |
| C06 | C01 | C43 | 105.9° | 101.4° |
| C06 | C01 | H011 | 113.4° | 113.7° |
| C06 | C07 | C14 | 120.5° | 120.0° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C43 | C01 | H011 | 112.3° | 113.5° |
| C01 | C43 | H432 | 110.0° | 110.4° |
| C01 | C43 | H431 | 110.0° | 110.4° |
| C24 | C25 | C26 | 112.5° | 109.5° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 108.8° | 109.4° |
| C24 | C25 | H251 | 108.7° | 109.5° |
| C24 | C25 | H252 | 108.7° | 109.4° |
| C25 | C26 | C27 | 111.9° | 109.5° |
| C26 | C25 | H251 | 108.7° | 109.5° |
| C26 | C25 | H252 | 108.7° | 109.5° |
| C25 | C26 | H261 | 108.9° | 109.4° |
| C25 | C26 | H262 | 108.9° | 109.4° |
| C14 | C07 | C08 | 119.6° | 120.0° |
| C07 | C14 | H142 | 120.0° | 120.0° |
| C07 | C14 | H141 | 120.0° | 120.0° |
| C07 | C08 | C09 | 118.9° | 120.1° |
| C07 | C08 | C13 | 121.4° | 120.2° |
| C26 | C27 | C28 | 114.7° | 109.4° |
| C27 | C26 | H261 | 108.9° | 109.5° |
| C27 | C26 | H262 | 108.9° | 109.5° |
| C26 | C27 | H272 | 108.1° | 109.5° |
| C26 | C27 | H271 | 108.1° | 109.5° |
| C09 | C08 | C13 | 119.7° | 119.7° |
| C08 | C09 | C10 | 120.2° | 119.9° |
| C08 | C09 | H091 | 119.9° | 120.1° |
| C08 | C13 | C12 | 120.0° | 119.9° |
| C08 | C13 | H131 | 120.0° | 120.0° |
| C27 | C28 | C29 | 114.0° | 109.4° |
| C28 | C27 | H272 | 108.1° | 109.4° |
| C28 | C27 | H271 | 108.1° | 109.5° |
| C27 | C28 | H281 | 108.3° | 109.5° |
| C27 | C28 | H282 | 108.3° | 109.5° |
| C09 | C10 | C11 | 120.0° | 120.1° |
| C09 | C10 | H101 | 120.0° | 120.0° |
| C10 | C09 | H091 | 119.9° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.1° |
| C13 | C12 | H121 | 119.9° | 119.9° |
| C12 | C13 | H131 | 120.0° | 120.1° |
| C10 | C11 | C12 | 119.9° | 120.3° |
| C10 | C11 | H111 | 120.1° | 119.8° |
| C11 | C10 | H101 | 120.0° | 119.9° |
| C28 | C29 | C30 | 112.5° | 109.4° |
| C29 | C28 | H281 | 108.3° | 109.5° |
| C29 | C28 | H282 | 108.3° | 109.4° |
| C28 | C29 | H292 | 108.7° | 109.5° |
| C28 | C29 | H291 | 108.7° | 109.4° |
| C12 | C11 | H111 | 120.1° | 119.8° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C29 | C30 | C31 | 111.6° | 109.5° |
| C30 | C29 | H292 | 108.7° | 109.5° |
| C30 | C29 | H291 | 108.7° | 109.5° |
| C29 | C30 | H302 | 108.9° | 109.5° |
| C29 | C30 | H301 | 108.9° | 109.5° |
| C30 | C31 | O32 | 109.0° | 109.5° |
| C31 | C30 | H302 | 109.0° | 109.4° |
| C31 | C30 | H301 | 109.0° | 109.5° |
| C30 | C31 | H311 | 109.6° | 109.4° |
| C30 | C31 | H312 | 109.6° | 109.5° |
| C31 | O32 | P33 | 119.0° | 123.0° |
| O32 | C31 | H311 | 109.6° | 109.5° |
| O32 | C31 | H312 | 109.6° | 109.5° |
| O41 | P33 | O32 | 110.4° | 109.4° |
| O41 | P33 | O34 | 109.7° | 109.5° |
| O41 | P33 | O42 | 109.5° | 109.5° |
| O32 | P33 | O34 | 108.4° | 109.5° |
| O32 | P33 | O42 | 109.3° | 109.5° |
| O34 | P33 | O42 | 109.5° | 109.5° |
| P33 | O34 | C35 | 118.7° | 123.0° |
| P33 | O42 | H1 | 109.5° | 114.0° |
| O34 | C35 | C36 | 109.8° | 109.4° |
| O34 | C35 | H351 | 109.4° | 109.5° |
| O34 | C35 | H352 | 109.4° | 109.5° |
| C35 | C36 | N37 | 113.1° | 109.5° |
| C36 | C35 | H351 | 109.4° | 109.5° |
| C36 | C35 | H352 | 109.4° | 109.4° |
| C35 | C36 | H361 | 108.6° | 109.4° |
| C35 | C36 | H362 | 108.6° | 109.5° |
| C39 | N37 | C36 | 110.7° | 109.5° |
| C39 | N37 | C38 | 110.0° | 109.5° |
| C39 | N37 | C40 | 108.9° | 109.5° |
| N37 | C39 | H393 | 109.5° | 109.5° |
| N37 | C39 | H392 | 109.5° | 109.5° |
| N37 | C39 | H391 | 109.5° | 109.5° |
| C36 | N37 | C38 | 109.5° | 109.5° |
| C36 | N37 | C40 | 108.7° | 109.5° |
| N37 | C36 | H361 | 108.5° | 109.5° |
| N37 | C36 | H362 | 108.5° | 109.5° |
| C38 | N37 | C40 | 109.0° | 109.5° |
| N37 | C38 | H382 | 109.5° | 109.5° |
| N37 | C38 | H383 | 109.5° | 109.4° |
| N37 | C38 | H381 | 109.5° | 109.4° |
| N37 | C40 | H401 | 109.5° | 109.4° |
| N37 | C40 | H403 | 109.5° | 109.5° |
| N37 | C40 | H402 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 110.1° |
| H051 | C05 | H052 | 109.5° | 109.9° |
| H142 | C14 | H141 | 120.0° | 120.0° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H383 | C38 | H381 | 109.5° | 109.4° |
| H393 | C39 | H392 | 109.5° | 109.4° |
| H393 | C39 | H391 | 109.4° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.4° | 109.5° |
| H432 | C43 | H431 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H201 | 180.0° | 179.4° |
| C20 | C21 | C16 | H211 | 180.0° | 179.5° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C20 | C21 | C16 | C15 | 180.0° | 179.8° |
| C20 | C21 | C16 | C17 | 0.1° | 0.5° |
| C21 | C20 | C19 | H191 | 180.0° | 179.8° |
| C19 | C20 | C21 | C16 | 0.0° | 0.6° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.0° | 0.1° |
| C20 | C19 | C18 | H181 | 180.0° | 179.9° |
| C19 | C20 | C21 | H211 | 180.0° | 180.0° |
| C21 | C16 | C15 | C17 | 179.9° | 179.7° |
| C21 | C16 | C15 | C22 | 93.8° | 66.9° |
| C21 | C16 | C15 | C06 | 87.9° | 115.2° |
| C21 | C16 | C17 | C18 | 0.2° | 0.3° |
| C21 | C16 | C17 | H171 | 179.9° | 179.8° |
| C16 | C21 | C20 | H201 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.1° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | H171 | 179.9° | 180.0° |
| C18 | C19 | C20 | H201 | 180.0° | 179.7° |
| C02 | C04 | C05 | H042 | 119.5° | 119.4° |
| C02 | C04 | C05 | H041 | 119.6° | 119.4° |
| C04 | C02 | O03 | C01 | 116.0° | 116.7° |
| C04 | C02 | O03 | H021 | 122.0° | 121.7° |
| C04 | C02 | C01 | H021 | 117.2° | 119.2° |
| C02 | C04 | C05 | C06 | 8.6° | 0.8° |
| C04 | C02 | C01 | C06 | 26.1° | 28.6° |
| C04 | C02 | C01 | C43 | 138.4° | 136.6° |
| C04 | C02 | C01 | H011 | 99.2° | 96.3° |
| C02 | C04 | H042 | H041 | 121.3° | 121.1° |
| C02 | C04 | C05 | H051 | 111.0° | 119.7° |
| C02 | C04 | C05 | H052 | 128.1° | 119.3° |
| C04 | C02 | O03 | H031 | 180.0° | 63.3° |
| C05 | C04 | C02 | O03 | 129.1° | 137.5° |
| C05 | C04 | C02 | C01 | 10.0° | 18.3° |
| C04 | C05 | C06 | H051 | 119.6° | 119.3° |
| C04 | C05 | C06 | H052 | 119.6° | 119.9° |
| C04 | C05 | C06 | C15 | 93.1° | 94.9° |
| C04 | C05 | C06 | C01 | 24.7° | 16.7° |
| C04 | C05 | C06 | C07 | 143.1° | 139.6° |
| C05 | C04 | C02 | H021 | 107.3° | 100.9° |
| C05 | C04 | H042 | H041 | 121.3° | 121.2° |
| C04 | C05 | H051 | H052 | 121.2° | 121.0° |
| O03 | C02 | C01 | H021 | 123.4° | 121.6° |
| O03 | C02 | C01 | C06 | 145.4° | 147.8° |
| O03 | C02 | C01 | C43 | 102.2° | 104.3° |
| O03 | C02 | C01 | H011 | 20.2° | 22.9° |
| O03 | C02 | C04 | H042 | 9.6° | 18.1° |
| O03 | C02 | C04 | H041 | 111.3° | 103.1° |
| C02 | C01 | C06 | C05 | 31.3° | 27.8° |
| C02 | C01 | C06 | C15 | 93.9° | 87.9° |
| C02 | C01 | C43 | C22 | 90.7° | 86.2° |
| C02 | C01 | C06 | C43 | 111.8° | 113.1° |
| C02 | C01 | C06 | H011 | 124.6° | 124.7° |
| C02 | C01 | C06 | C07 | 149.7° | 149.8° |
| C02 | C01 | C43 | H011 | 122.4° | 127.0° |
| C01 | C02 | C04 | H042 | 109.6° | 101.1° |
| C01 | C02 | C04 | H041 | 129.5° | 137.6° |
| C02 | C01 | C43 | H432 | 149.6° | 33.5° |
| C02 | C01 | C43 | H431 | 29.0° | 155.7° |
| C01 | C02 | O03 | H031 | 64.0° | 180.0° |
| C16 | C15 | C06 | C05 | 57.3° | 51.7° |
| C16 | C15 | C22 | C23 | 6.9° | 1.9° |
| C16 | C15 | C22 | C06 | 178.5° | 178.2° |
| C16 | C15 | C22 | C43 | 171.5° | 180.0° |
| C15 | C16 | C17 | C18 | 180.0° | 180.0° |
| C16 | C15 | C06 | C01 | 174.4° | 163.9° |
| C16 | C15 | C06 | C07 | 67.7° | 73.4° |
| C15 | C16 | C17 | H171 | 0.0° | 0.0° |
| C15 | C16 | C21 | H211 | 0.0° | 0.3° |
| C17 | C16 | C15 | C22 | 86.0° | 113.4° |
| C17 | C16 | C15 | C06 | 92.2° | 64.5° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| C17 | C16 | C21 | H211 | 179.9° | 180.0° |
| C05 | C06 | C15 | C22 | 124.3° | 130.1° |
| C05 | C06 | C15 | C01 | 117.1° | 112.2° |
| C05 | C06 | C15 | C07 | 124.9° | 125.1° |
| C05 | C06 | C01 | C07 | 118.4° | 122.0° |
| C05 | C06 | C01 | C43 | 143.0° | 140.9° |
| C05 | C06 | C07 | C14 | 34.8° | 6.7° |
| C05 | C06 | C07 | C08 | 146.5° | 173.3° |
| C05 | C06 | C01 | H011 | 93.3° | 96.9° |
| C06 | C05 | C04 | H042 | 128.1° | 118.5° |
| C06 | C05 | C04 | H041 | 111.0° | 120.2° |
| C06 | C05 | H051 | H052 | 121.3° | 121.1° |
| C22 | C23 | C24 | H232 | 120.3° | 120.0° |
| C22 | C23 | C24 | H231 | 120.3° | 120.0° |
| C23 | C22 | C15 | C43 | 164.6° | 178.1° |
| C23 | C22 | C15 | C06 | 171.6° | 180.0° |
| C23 | C22 | C43 | C01 | 177.3° | 163.0° |
| C22 | C23 | C24 | C25 | 109.7° | 180.0° |
| C22 | C23 | H232 | H231 | 119.1° | 120.1° |
| C22 | C23 | C24 | H241 | 129.8° | 60.0° |
| C22 | C23 | C24 | H242 | 10.7° | 60.0° |
| C23 | C22 | C43 | H432 | 63.0° | 43.6° |
| C23 | C22 | C43 | H431 | 57.7° | 78.3° |
| C24 | C23 | C22 | C15 | 137.9° | 95.0° |
| C24 | C23 | C22 | C43 | 24.1° | 82.9° |
| C23 | C24 | C25 | H241 | 120.4° | 120.0° |
| C23 | C24 | C25 | H242 | 120.4° | 120.0° |
| C23 | C24 | C25 | C26 | 167.1° | 180.0° |
| C24 | C23 | H232 | H231 | 119.1° | 119.9° |
| C23 | C24 | H241 | H242 | 118.7° | 120.0° |
| C23 | C24 | C25 | H251 | 46.6° | 60.0° |
| C23 | C24 | C25 | H252 | 72.4° | 60.0° |
| C22 | C15 | C06 | C01 | 7.2° | 17.9° |
| C22 | C15 | C06 | C07 | 110.8° | 104.7° |
| C15 | C22 | C43 | C01 | 18.1° | 15.2° |
| C15 | C22 | C23 | H232 | 17.6° | 145.0° |
| C15 | C22 | C23 | H231 | 101.8° | 25.0° |
| C15 | C22 | C43 | H432 | 101.5° | 134.6° |
| C15 | C22 | C43 | H431 | 137.8° | 103.6° |
| C06 | C15 | C22 | C43 | 6.9° | 1.9° |
| C15 | C06 | C01 | C07 | 116.4° | 122.2° |
| C15 | C06 | C01 | C43 | 17.9° | 25.2° |
| C15 | C06 | C07 | C14 | 94.4° | 117.5° |
| C15 | C06 | C07 | C08 | 84.2° | 62.4° |
| C15 | C06 | C01 | H011 | 141.5° | 147.3° |
| C15 | C06 | C05 | H051 | 147.3° | 145.9° |
| C15 | C06 | C05 | H052 | 26.4° | 25.0° |
| C22 | C43 | C01 | C06 | 22.5° | 24.5° |
| C22 | C43 | C01 | H432 | 119.7° | 119.7° |
| C22 | C43 | C01 | H431 | 119.7° | 118.1° |
| C22 | C43 | C01 | H011 | 146.9° | 146.8° |
| C43 | C22 | C23 | H232 | 144.4° | 37.1° |
| C43 | C22 | C23 | H231 | 96.3° | 157.1° |
| C22 | C43 | H432 | H431 | 121.1° | 121.3° |
| C17 | C18 | C19 | H191 | 180.0° | 180.0° |
| C06 | C01 | C43 | H011 | 124.3° | 122.3° |
| C01 | C06 | C07 | C14 | 150.0° | 125.0° |
| C01 | C06 | C07 | C08 | 31.4° | 55.0° |
| C06 | C01 | C02 | H021 | 91.2° | 90.6° |
| C01 | C06 | C05 | H051 | 94.8° | 102.6° |
| C01 | C06 | C05 | H052 | 144.3° | 136.5° |
| C06 | C01 | C43 | H432 | 97.1° | 144.2° |
| C06 | C01 | C43 | H431 | 142.2° | 93.6° |
| C07 | C06 | C01 | C43 | 98.5° | 97.1° |
| C06 | C07 | C14 | C08 | 178.6° | 180.0° |
| C06 | C07 | C08 | C09 | 78.0° | 115.8° |
| C06 | C07 | C08 | C13 | 101.8° | 63.9° |
| C07 | C06 | C01 | H011 | 25.1° | 25.1° |
| C07 | C06 | C05 | H051 | 23.5° | 20.4° |
| C07 | C06 | C05 | H052 | 97.3° | 100.5° |
| C06 | C07 | C14 | H142 | 178.6° | 172.9° |
| C06 | C07 | C14 | H141 | 1.4° | 7.2° |
| C43 | C01 | C02 | H021 | 21.2° | 17.4° |
| C01 | C43 | H432 | H431 | 121.0° | 122.2° |
| C24 | C25 | C26 | H251 | 120.4° | 120.0° |
| C24 | C25 | C26 | H252 | 120.5° | 120.0° |
| C24 | C25 | C26 | C27 | 135.4° | 180.0° |
| C25 | C24 | C23 | H232 | 10.6° | 60.0° |
| C25 | C24 | C23 | H231 | 130.0° | 60.0° |
| C25 | C24 | H241 | H242 | 118.7° | 120.0° |
| C24 | C25 | H251 | H252 | 118.6° | 120.0° |
| C24 | C25 | C26 | H261 | 15.1° | 60.0° |
| C24 | C25 | C26 | H262 | 104.2° | 60.0° |
| C25 | C26 | C27 | H261 | 120.4° | 120.0° |
| C25 | C26 | C27 | H262 | 120.4° | 120.0° |
| C25 | C26 | C27 | C28 | 165.3° | 180.0° |
| C26 | C25 | C24 | H241 | 72.5° | 60.0° |
| C26 | C25 | C24 | H242 | 46.7° | 60.0° |
| C26 | C25 | H251 | H252 | 118.6° | 120.0° |
| C25 | C26 | H261 | H262 | 118.9° | 119.9° |
| C25 | C26 | C27 | H272 | 44.5° | 60.1° |
| C25 | C26 | C27 | H271 | 73.9° | 60.0° |
| C14 | C07 | C08 | C09 | 100.6° | 64.2° |
| C14 | C07 | C08 | C13 | 79.5° | 116.1° |
| C07 | C14 | H142 | H141 | 180.0° | 180.0° |
| C07 | C08 | C09 | C13 | 179.9° | 179.6° |
| C07 | C08 | C09 | C10 | 179.8° | 180.0° |
| C07 | C08 | C13 | C12 | 179.8° | 180.0° |
| C07 | C08 | C13 | H131 | 0.2° | 0.1° |
| C07 | C08 | C09 | H091 | 0.2° | 0.1° |
| C08 | C07 | C14 | H142 | 0.0° | 7.1° |
| C08 | C07 | C14 | H141 | 180.0° | 172.8° |
| C26 | C27 | C28 | H272 | 120.8° | 119.9° |
| C26 | C27 | C28 | H271 | 120.8° | 120.0° |
| C26 | C27 | C28 | C29 | 39.5° | 180.0° |
| C27 | C26 | C25 | H251 | 104.1° | 60.0° |
| C27 | C26 | C25 | H252 | 15.0° | 60.0° |
| C27 | C26 | H261 | H262 | 118.9° | 120.1° |
| C26 | C27 | H272 | H271 | 117.6° | 120.0° |
| C26 | C27 | C28 | H281 | 160.2° | 60.0° |
| C26 | C27 | C28 | H282 | 81.2° | 60.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C09 | C08 | C13 | C12 | 0.0° | 0.3° |
| C08 | C09 | C10 | C11 | 0.1° | 0.1° |
| C09 | C08 | C13 | H131 | 180.0° | 179.8° |
| C08 | C09 | C10 | H101 | 179.9° | 180.0° |
| C13 | C08 | C09 | C10 | 0.0° | 0.4° |
| C08 | C13 | C12 | H131 | 180.0° | 179.9° |
| C08 | C13 | C12 | C11 | 0.0° | 0.0° |
| C08 | C13 | C12 | H121 | 180.0° | 180.0° |
| C13 | C08 | C09 | H091 | 179.9° | 179.6° |
| C27 | C28 | C29 | H281 | 120.7° | 120.0° |
| C27 | C28 | C29 | H282 | 120.7° | 120.0° |
| C27 | C28 | C29 | C30 | 136.8° | 180.0° |
| C28 | C27 | C26 | H261 | 74.3° | 60.0° |
| C28 | C27 | C26 | H262 | 44.9° | 60.0° |
| C28 | C27 | H272 | H271 | 117.6° | 120.0° |
| C27 | C28 | H281 | H282 | 117.9° | 120.1° |
| C27 | C28 | C29 | H292 | 102.7° | 60.0° |
| C27 | C28 | C29 | H291 | 16.4° | 60.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.1° | 0.2° |
| C09 | C10 | C11 | H111 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.2° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 179.9° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 179.8° |
| C10 | C11 | C12 | H121 | 179.9° | 179.7° |
| C11 | C10 | C09 | H091 | 179.9° | 179.9° |
| C28 | C29 | C30 | H292 | 120.4° | 120.0° |
| C28 | C29 | C30 | H291 | 120.5° | 120.0° |
| C28 | C29 | C30 | C31 | 137.8° | 180.0° |
| C29 | C28 | C27 | H272 | 81.3° | 60.0° |
| C29 | C28 | C27 | H271 | 160.2° | 60.0° |
| C29 | C28 | H281 | H282 | 117.9° | 120.0° |
| C28 | C29 | H292 | H291 | 118.6° | 120.0° |
| C28 | C29 | C30 | H302 | 17.5° | 60.0° |
| C28 | C29 | C30 | H301 | 101.9° | 60.0° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| C12 | C11 | C10 | H101 | 179.9° | 179.7° |
| C29 | C30 | C31 | H302 | 120.3° | 120.0° |
| C29 | C30 | C31 | H301 | 120.3° | 120.0° |
| C29 | C30 | C31 | O32 | 178.9° | 180.0° |
| C30 | C29 | C28 | H281 | 16.2° | 60.0° |
| C30 | C29 | C28 | H282 | 102.5° | 60.0° |
| C30 | C29 | H292 | H291 | 118.6° | 120.0° |
| C29 | C30 | H302 | H301 | 119.0° | 120.0° |
| C29 | C30 | C31 | H311 | 61.2° | 60.0° |
| C29 | C30 | C31 | H312 | 58.9° | 60.0° |
| C30 | C31 | O32 | H311 | 119.9° | 120.0° |
| C30 | C31 | O32 | H312 | 119.9° | 120.0° |
| C30 | C31 | O32 | P33 | 121.0° | 180.0° |
| C31 | C30 | C29 | H292 | 101.7° | 60.0° |
| C31 | C30 | C29 | H291 | 17.3° | 60.0° |
| C31 | C30 | H302 | H301 | 119.1° | 120.0° |
| C30 | C31 | H311 | H312 | 120.2° | 120.0° |
| C31 | O32 | P33 | O41 | 20.3° | 55.0° |
| C31 | O32 | P33 | O34 | 140.5° | 175.0° |
| C31 | O32 | P33 | O42 | 100.2° | 64.9° |
| O32 | C31 | C30 | H302 | 58.6° | 60.0° |
| O32 | C31 | C30 | H301 | 60.8° | 59.9° |
| O32 | C31 | H311 | H312 | 120.2° | 120.0° |
| O41 | P33 | O32 | O34 | 120.2° | 120.0° |
| O41 | P33 | O32 | O42 | 120.5° | 120.0° |
| O41 | P33 | O34 | O42 | 120.1° | 120.0° |
| O41 | P33 | O34 | C35 | 123.1° | 55.0° |
| O41 | P33 | O42 | H1 | 0.0° | 180.0° |
| O32 | P33 | O34 | O42 | 119.2° | 120.1° |
| O32 | P33 | O34 | C35 | 2.4° | 174.9° |
| P33 | O32 | C31 | H311 | 119.0° | 60.0° |
| P33 | O32 | C31 | H312 | 1.1° | 60.1° |
| O32 | P33 | O42 | H1 | 121.1° | 60.0° |
| P33 | O34 | C35 | C36 | 122.8° | 180.0° |
| P33 | O34 | C35 | H351 | 117.1° | 60.0° |
| P33 | O34 | C35 | H352 | 2.8° | 60.1° |
| O34 | P33 | O42 | H1 | 120.3° | 60.0° |
| O42 | P33 | O34 | C35 | 116.8° | 65.0° |
| O34 | C35 | C36 | H351 | 120.1° | 120.1° |
| O34 | C35 | C36 | H352 | 120.1° | 120.0° |
| O34 | C35 | C36 | N37 | 43.9° | 67.7° |
| O34 | C35 | H351 | H352 | 119.9° | 120.1° |
| O34 | C35 | C36 | H361 | 164.4° | 172.3° |
| O34 | C35 | C36 | H362 | 76.7° | 52.4° |
| C35 | C36 | N37 | C39 | 37.0° | 63.2° |
| C35 | C36 | N37 | H361 | 120.6° | 120.0° |
| C35 | C36 | N37 | H362 | 120.5° | 120.0° |
| C35 | C36 | N37 | C38 | 84.5° | 56.8° |
| C35 | C36 | N37 | C40 | 156.6° | 176.8° |
| C36 | C35 | H351 | H352 | 119.8° | 120.0° |
| C35 | C36 | H361 | H362 | 118.3° | 120.0° |
| C39 | N37 | C36 | C38 | 121.5° | 120.0° |
| C39 | N37 | C36 | C40 | 119.6° | 120.0° |
| C39 | N37 | C38 | C40 | 119.4° | 120.0° |
| C39 | N37 | C36 | H361 | 83.6° | 56.7° |
| C39 | N37 | C36 | H362 | 157.5° | 176.7° |
| C39 | N37 | C38 | H382 | 180.0° | 49.5° |
| C39 | N37 | C38 | H383 | 60.0° | 70.5° |
| C39 | N37 | C38 | H381 | 60.0° | 169.6° |
| N37 | C39 | H393 | H392 | 120.0° | 120.0° |
| N37 | C39 | H393 | H391 | 120.0° | 120.1° |
| N37 | C39 | H392 | H391 | 120.0° | 120.0° |
| C39 | N37 | C40 | H401 | 180.0° | 180.0° |
| C39 | N37 | C40 | H403 | 60.0° | 60.0° |
| C39 | N37 | C40 | H402 | 60.0° | 60.0° |
| C36 | N37 | C38 | C40 | 118.7° | 120.0° |
| N37 | C36 | C35 | H351 | 76.2° | 172.2° |
| N37 | C36 | C35 | H352 | 163.9° | 52.3° |
| N37 | C36 | H361 | H362 | 118.3° | 120.0° |
| C36 | N37 | C38 | H382 | 58.1° | 70.5° |
| C36 | N37 | C38 | H383 | 61.9° | 169.5° |
| C36 | N37 | C38 | H381 | 178.1° | 49.6° |
| C36 | N37 | C39 | H393 | 180.0° | 60.0° |
| C36 | N37 | C39 | H392 | 60.0° | 180.0° |
| C36 | N37 | C39 | H391 | 60.0° | 60.0° |
| C36 | N37 | C40 | H401 | 59.2° | 60.0° |
| C36 | N37 | C40 | H403 | 179.3° | 180.0° |
| C36 | N37 | C40 | H402 | 60.8° | 60.0° |
| C38 | N37 | C36 | H361 | 154.9° | 176.7° |
| C38 | N37 | C36 | H362 | 36.1° | 63.3° |
| N37 | C38 | H382 | H383 | 120.0° | 120.0° |
| N37 | C38 | H382 | H381 | 120.0° | 120.0° |
| N37 | C38 | H383 | H381 | 120.0° | 119.9° |
| C38 | N37 | C39 | H393 | 58.8° | 180.0° |
| C38 | N37 | C39 | H392 | 61.2° | 60.0° |
| C38 | N37 | C39 | H391 | 178.8° | 60.0° |
| C38 | N37 | C40 | H401 | 60.0° | 60.0° |
| C38 | N37 | C40 | H403 | 60.0° | 60.0° |
| C38 | N37 | C40 | H402 | 180.0° | 180.0° |
| C40 | N37 | C36 | H361 | 36.0° | 63.2° |
| C40 | N37 | C36 | H362 | 82.9° | 56.8° |
| C40 | N37 | C38 | H382 | 60.7° | 169.5° |
| C40 | N37 | C38 | H383 | 179.3° | 49.5° |
| C40 | N37 | C38 | H381 | 59.4° | 70.4° |
| C40 | N37 | C39 | H393 | 60.5° | 59.9° |
| C40 | N37 | C39 | H392 | 179.5° | 60.0° |
| C40 | N37 | C39 | H391 | 59.5° | 180.0° |
| N37 | C40 | H401 | H403 | 120.0° | 120.0° |
| N37 | C40 | H401 | H402 | 120.0° | 120.0° |
| N37 | C40 | H403 | H402 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 0.1° | 0.0° |
| H111 | C11 | C10 | H101 | 0.1° | 0.0° |
| H121 | C12 | C13 | H131 | 0.0° | 0.1° |
| H101 | C10 | C09 | H091 | 0.1° | 0.1° |
| H011 | C01 | C02 | H021 | 143.6° | 144.5° |
| H011 | C01 | C43 | H432 | 27.2° | 93.5° |
| H011 | C01 | C43 | H431 | 93.5° | 28.7° |
| H021 | C02 | C04 | H042 | 133.1° | 139.7° |
| H021 | C02 | C04 | H041 | 12.2° | 18.5° |
| H021 | C02 | O03 | H031 | 58.0° | 58.4° |
| H042 | C04 | C05 | H051 | 8.5° | 0.3° |
| H042 | C04 | C05 | H052 | 112.3° | 121.3° |
| H041 | C04 | C05 | H051 | 129.4° | 121.0° |
| H041 | C04 | C05 | H052 | 8.6° | 0.1° |
| H171 | C17 | C18 | H181 | 0.1° | 0.0° |
| H181 | C18 | C19 | H191 | 0.0° | 0.0° |
| H191 | C19 | C20 | H201 | 0.0° | 0.3° |
| H201 | C20 | C21 | H211 | 0.0° | 0.6° |
| H232 | C23 | C24 | H241 | 109.9° | 180.0° |
| H232 | C23 | C24 | H242 | 131.0° | 60.0° |
| H231 | C23 | C24 | H241 | 9.6° | 60.0° |
| H231 | C23 | C24 | H242 | 109.5° | 180.0° |
| H241 | C24 | C25 | H251 | 167.1° | 180.0° |
| H241 | C24 | C25 | H252 | 48.0° | 60.0° |
| H242 | C24 | C25 | H251 | 73.8° | 60.0° |
| H242 | C24 | C25 | H252 | 167.1° | 180.0° |
| H251 | C25 | C26 | H261 | 135.5° | 180.0° |
| H251 | C25 | C26 | H262 | 16.3° | 60.0° |
| H252 | C25 | C26 | H261 | 105.4° | 60.0° |
| H252 | C25 | C26 | H262 | 135.3° | 180.0° |
| H261 | C26 | C27 | H272 | 164.9° | 180.0° |
| H261 | C26 | C27 | H271 | 46.4° | 60.0° |
| H262 | C26 | C27 | H272 | 75.8° | 59.9° |
| H262 | C26 | C27 | H271 | 165.7° | 180.0° |
| H272 | C27 | C28 | H281 | 39.4° | 180.0° |
| H272 | C27 | C28 | H282 | 158.1° | 59.9° |
| H271 | C27 | C28 | H281 | 79.1° | 60.0° |
| H271 | C27 | C28 | H282 | 39.6° | 180.0° |
| H281 | C28 | C29 | H292 | 136.6° | 180.0° |
| H281 | C28 | C29 | H291 | 104.3° | 60.0° |
| H282 | C28 | C29 | H292 | 17.9° | 60.0° |
| H282 | C28 | C29 | H291 | 137.0° | 180.0° |
| H292 | C29 | C30 | H302 | 137.9° | 180.0° |
| H292 | C29 | C30 | H301 | 18.6° | 60.0° |
| H291 | C29 | C30 | H302 | 103.0° | 60.0° |
| H291 | C29 | C30 | H301 | 137.7° | 180.0° |
| H302 | C30 | C31 | H311 | 178.5° | NaN° |
| H302 | C30 | C31 | H312 | 61.4° | 60.0° |
| H301 | C30 | C31 | H311 | 59.1° | 60.1° |
| H301 | C30 | C31 | H312 | 179.3° | 180.0° |
| H351 | C35 | C36 | H361 | 44.4° | 52.3° |
| H351 | C35 | C36 | H362 | 163.3° | 67.7° |
| H352 | C35 | C36 | H361 | 75.5° | 67.7° |
| H352 | C35 | C36 | H362 | 43.4° | 172.3° |
| H382 | C38 | H383 | H381 | 120.0° | 120.1° |
| H393 | C39 | H392 | H391 | 120.0° | 120.0° |
| H401 | C40 | H403 | H402 | 120.0° | 120.0° |
