BKF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | O29 | sing | 1.41Å | 1.41Å | |
| O29 | C22 | sing | 1.42Å | 1.42Å | |
| C23 | C24 | doub | 1.35Å | 1.35Å | |
| C23 | C22 | sing | 1.52Å | 1.52Å | |
| C43 | O42 | sing | 1.44Å | 1.44Å | |
| C24 | C25 | sing | 1.46Å | 1.46Å | |
| C22 | C21 | sing | 1.68Å | 1.68Å | |
| C27 | C26 | sing | 1.48Å | 1.48Å | |
| C27 | C04 | sing | 1.50Å | 1.50Å | |
| C39 | C38 | sing | 1.52Å | 1.52Å | |
| C26 | C25 | doub | 1.34Å | 1.34Å | |
| C26 | C28 | sing | 1.50Å | 1.50Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.41Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C38 | sing | 1.53Å | 1.53Å | |
| O42 | C02 | sing | 1.40Å | 1.40Å | |
| O32 | C21 | sing | 1.38Å | 1.38Å | |
| C21 | N20 | sing | 1.52Å | 1.52Å | |
| C21 | C31 | sing | 1.55Å | 1.55Å | |
| C38 | C36 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | doub | 1.44Å | 1.44Å | Aromatic |
| N20 | C18 | sing | 1.40Å | 1.40Å | |
| C05 | C06 | doub | 1.42Å | 1.42Å | Aromatic |
| C31 | C16 | sing | 1.51Å | 1.51Å | |
| C36 | O35 | sing | 1.37Å | 1.37Å | |
| C36 | O37 | doub | 1.23Å | 1.23Å | |
| C01 | C06 | sing | 1.45Å | 1.45Å | Aromatic |
| C01 | CL4 | sing | 1.76Å | 1.76Å | |
| C18 | O19 | doub | 1.25Å | 1.25Å | |
| C18 | O17 | sing | 1.33Å | 1.33Å | |
| O35 | C11 | sing | 1.42Å | 1.42Å | |
| C06 | N07 | sing | 1.52Å | 1.52Å | |
| C10 | C11 | sing | 1.62Å | 1.62Å | |
| C10 | C08 | sing | 1.57Å | 1.57Å | |
| C16 | O17 | sing | 1.45Å | 1.45Å | |
| C16 | C15 | sing | 1.69Å | 1.69Å | |
| C13 | C12 | sing | 1.49Å | 1.49Å | |
| C11 | C12 | sing | 1.52Å | 1.52Å | |
| N07 | C08 | sing | 1.51Å | 1.51Å | |
| N07 | C41 | sing | 1.53Å | 1.53Å | |
| C08 | O09 | doub | 1.23Å | 1.23Å | |
| C12 | C14 | sing | 1.56Å | 1.56Å | |
| C12 | O34 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.55Å | 1.55Å | |
| C15 | C33 | sing | 1.52Å | 1.52Å | |
| C14 | O34 | sing | 1.45Å | 1.45Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C13 | H133 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H283 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| N20 | H201 | sing | 1.00Å | 1.00Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C30 | H303 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| O32 | H321 | sing | 0.95Å | 0.95Å | |
| C33 | H333 | sing | 1.10Å | 1.10Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| C39 | H393 | sing | 1.10Å | 1.10Å | |
| C40 | H403 | sing | 1.10Å | 1.10Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H413 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H433 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | O29 | C22 | 117.3° | 117.3° |
| O29 | C30 | H302 | 109.5° | 109.5° |
| O29 | C30 | H303 | 109.5° | 109.5° |
| O29 | C30 | H301 | 109.4° | 109.5° |
| O29 | C22 | C23 | 104.5° | 104.5° |
| O29 | C22 | C21 | 112.3° | 112.3° |
| O29 | C22 | H221 | 108.1° | 108.1° |
| C24 | C23 | C22 | 116.7° | 116.7° |
| C23 | C24 | C25 | 125.7° | 125.7° |
| C23 | C24 | H241 | 117.1° | 117.1° |
| C24 | C23 | H3 | 121.7° | 121.7° |
| C23 | C22 | C21 | 119.3° | 119.3° |
| C23 | C22 | H221 | 106.9° | 106.9° |
| C22 | C23 | H3 | 121.7° | 121.7° |
| C43 | O42 | C02 | 123.3° | 123.3° |
| O42 | C43 | H431 | 109.5° | 109.5° |
| O42 | C43 | H433 | 109.4° | 109.4° |
| O42 | C43 | H432 | 109.4° | 109.5° |
| C24 | C25 | C26 | 128.7° | 128.7° |
| C25 | C24 | H241 | 117.1° | 117.1° |
| C24 | C25 | H251 | 115.6° | 115.6° |
| C22 | C21 | O32 | 109.7° | 109.7° |
| C22 | C21 | N20 | 111.7° | 111.7° |
| C22 | C21 | C31 | 115.7° | 115.7° |
| C21 | C22 | H221 | 105.3° | 105.3° |
| C26 | C27 | C04 | 130.3° | 130.3° |
| C27 | C26 | C25 | 129.8° | 129.8° |
| C27 | C26 | C28 | 112.1° | 112.1° |
| C26 | C27 | H272 | 104.0° | 104.0° |
| C26 | C27 | H271 | 104.0° | 104.0° |
| C27 | C04 | C03 | 122.3° | 122.3° |
| C27 | C04 | C05 | 119.7° | 119.7° |
| C04 | C27 | H272 | 104.0° | 104.0° |
| C04 | C27 | H271 | 104.0° | 104.0° |
| C39 | C38 | C40 | 109.9° | 109.9° |
| C39 | C38 | C36 | 114.2° | 114.2° |
| C39 | C38 | H381 | 105.7° | 105.7° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.4° |
| C38 | C39 | H393 | 109.4° | 109.4° |
| C25 | C26 | C28 | 102.9° | 102.9° |
| C26 | C25 | H251 | 115.7° | 115.7° |
| C26 | C28 | H283 | 109.5° | 109.5° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| C26 | C28 | H281 | 109.4° | 109.4° |
| C04 | C03 | C02 | 121.7° | 121.7° |
| C03 | C04 | C05 | 118.0° | 118.0° |
| C04 | C03 | H031 | 119.2° | 119.2° |
| C03 | C02 | O42 | 121.6° | 121.6° |
| C03 | C02 | C01 | 117.9° | 117.9° |
| C02 | C03 | H031 | 119.2° | 119.2° |
| C04 | C05 | C06 | 126.9° | 126.9° |
| C04 | C05 | H051 | 116.6° | 116.6° |
| C40 | C38 | C36 | 115.0° | 115.0° |
| C40 | C38 | H381 | 105.6° | 105.6° |
| C38 | C40 | H403 | 109.5° | 109.5° |
| C38 | C40 | H401 | 109.5° | 109.5° |
| C38 | C40 | H402 | 109.4° | 109.4° |
| O42 | C02 | C01 | 120.6° | 120.6° |
| O32 | C21 | N20 | 107.8° | 107.8° |
| O32 | C21 | C31 | 103.2° | 103.2° |
| C21 | O32 | H321 | 109.5° | 109.5° |
| N20 | C21 | C31 | 108.2° | 108.2° |
| C21 | N20 | C18 | 120.8° | 120.8° |
| C21 | N20 | H201 | 119.6° | 119.6° |
| C21 | C31 | C16 | 114.5° | 114.5° |
| C21 | C31 | H312 | 108.2° | 108.2° |
| C21 | C31 | H311 | 108.2° | 108.2° |
| C38 | C36 | O35 | 122.1° | 122.1° |
| C38 | C36 | O37 | 119.0° | 119.0° |
| C36 | C38 | H381 | 105.6° | 105.6° |
| C02 | C01 | C06 | 123.5° | 123.5° |
| C02 | C01 | CL4 | 114.9° | 114.9° |
| N20 | C18 | O19 | 120.8° | 120.8° |
| N20 | C18 | O17 | 122.7° | 122.7° |
| C18 | N20 | H201 | 119.6° | 119.6° |
| C05 | C06 | C01 | 112.0° | 112.0° |
| C05 | C06 | N07 | 118.3° | 118.3° |
| C06 | C05 | H051 | 116.5° | 116.5° |
| C31 | C16 | O17 | 105.7° | 105.7° |
| C31 | C16 | C15 | 120.4° | 120.4° |
| C31 | C16 | H161 | 107.2° | 107.2° |
| C16 | C31 | H312 | 108.2° | 108.2° |
| C16 | C31 | H311 | 108.2° | 108.2° |
| O35 | C36 | O37 | 113.8° | 113.8° |
| C36 | O35 | C11 | 123.8° | 123.8° |
| C06 | C01 | CL4 | 121.6° | 121.6° |
| C01 | C06 | N07 | 129.7° | 129.7° |
| O19 | C18 | O17 | 116.5° | 116.5° |
| C18 | O17 | C16 | 119.6° | 119.6° |
| O35 | C11 | C10 | 109.4° | 109.4° |
| O35 | C11 | C12 | 109.6° | 109.6° |
| O35 | C11 | H111 | 107.0° | 107.0° |
| C06 | N07 | C08 | 127.4° | 127.4° |
| C06 | N07 | C41 | 119.1° | 119.1° |
| C11 | C10 | C08 | 128.3° | 128.3° |
| C10 | C11 | C12 | 119.3° | 119.3° |
| C11 | C10 | H101 | 104.6° | 104.6° |
| C11 | C10 | H102 | 104.6° | 104.6° |
| C10 | C11 | H111 | 104.8° | 104.8° |
| C10 | C08 | N07 | 132.0° | 132.0° |
| C10 | C08 | O09 | 111.3° | 111.3° |
| C08 | C10 | H101 | 104.6° | 104.6° |
| C08 | C10 | H102 | 104.6° | 104.6° |
| O17 | C16 | C15 | 109.8° | 109.8° |
| O17 | C16 | H161 | 108.0° | 108.0° |
| C16 | C15 | C14 | 116.7° | 116.7° |
| C16 | C15 | C33 | 116.2° | 116.2° |
| C16 | C15 | H151 | 102.2° | 102.1° |
| C15 | C16 | H161 | 105.3° | 105.3° |
| C13 | C12 | C11 | 122.8° | 122.8° |
| C13 | C12 | C14 | 117.1° | 117.1° |
| C13 | C12 | O34 | 113.6° | 113.6° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C11 | C12 | C14 | 109.5° | 109.5° |
| C11 | C12 | O34 | 118.6° | 118.6° |
| C12 | C11 | H111 | 105.8° | 105.8° |
| C08 | N07 | C41 | 113.5° | 113.5° |
| N07 | C08 | O09 | 116.5° | 116.5° |
| N07 | C41 | H411 | 109.5° | 109.5° |
| N07 | C41 | H413 | 109.5° | 109.5° |
| N07 | C41 | H412 | 109.5° | 109.5° |
| C14 | C12 | O34 | 57.3° | 57.3° |
| C12 | C14 | C15 | 125.0° | 125.0° |
| C12 | C14 | O34 | 57.8° | 57.8° |
| C12 | C14 | H141 | 112.9° | 112.9° |
| C12 | O34 | C14 | 64.8° | 64.8° |
| C14 | C15 | C33 | 112.4° | 112.4° |
| C15 | C14 | O34 | 122.8° | 122.8° |
| C14 | C15 | H151 | 103.3° | 103.3° |
| C15 | C14 | H141 | 113.0° | 113.0° |
| C33 | C15 | H151 | 103.5° | 103.6° |
| C15 | C33 | H333 | 109.5° | 109.5° |
| C15 | C33 | H331 | 109.5° | 109.4° |
| C15 | C33 | H332 | 109.5° | 109.5° |
| O34 | C14 | H141 | 114.7° | 114.7° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H133 | C13 | H132 | 109.5° | 109.4° |
| H133 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.4° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H333 | C33 | H331 | 109.5° | 109.5° |
| H333 | C33 | H332 | 109.4° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H403 | C40 | H401 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.4° | 109.4° |
| H411 | C41 | H412 | 109.4° | 109.4° |
| H413 | C41 | H412 | 109.4° | 109.4° |
| H431 | C43 | H433 | 109.4° | 109.4° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H433 | C43 | H432 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | O29 | C22 | C23 | 63.8° | 63.8° |
| C30 | O29 | C22 | C21 | 67.0° | 67.0° |
| C30 | O29 | C22 | H221 | 177.3° | 177.3° |
| O29 | C30 | H302 | H303 | 120.0° | 120.0° |
| O29 | C30 | H302 | H301 | 120.0° | 120.0° |
| O29 | C30 | H303 | H301 | 120.0° | 120.0° |
| O29 | C22 | C23 | C24 | 163.3° | 163.3° |
| O29 | C22 | C23 | C21 | 126.5° | 126.5° |
| O29 | C22 | C23 | H221 | 114.4° | 114.4° |
| O29 | C22 | C21 | H221 | 117.4° | 117.4° |
| O29 | C22 | C21 | O32 | 83.0° | 83.0° |
| O29 | C22 | C21 | N20 | 36.4° | 36.4° |
| O29 | C22 | C21 | C31 | 160.8° | 160.8° |
| O29 | C22 | C23 | H3 | 16.7° | 16.7° |
| C22 | O29 | C30 | H302 | 180.0° | 180.0° |
| C22 | O29 | C30 | H303 | 60.0° | 60.0° |
| C22 | O29 | C30 | H301 | 60.0° | 60.0° |
| C24 | C23 | C22 | H3 | 180.0° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 70.2° | 70.2° |
| C23 | C24 | C25 | C26 | 125.9° | 125.9° |
| C24 | C23 | C22 | H221 | 48.9° | 48.9° |
| C23 | C24 | C25 | H251 | 54.1° | 54.1° |
| C22 | C23 | C24 | C25 | 48.0° | 48.0° |
| C23 | C22 | C21 | H221 | 119.9° | 119.9° |
| C23 | C22 | C21 | O32 | 39.7° | 39.7° |
| C23 | C22 | C21 | N20 | 159.1° | 159.1° |
| C23 | C22 | C21 | C31 | 76.5° | 76.5° |
| C22 | C23 | C24 | H241 | 132.0° | 132.0° |
| C43 | O42 | C02 | C03 | 9.8° | 9.8° |
| C43 | O42 | C02 | C01 | 170.6° | 170.6° |
| O42 | C43 | H431 | H433 | 120.0° | 120.0° |
| O42 | C43 | H431 | H432 | 120.0° | 120.0° |
| O42 | C43 | H433 | H432 | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 44.3° | 44.3° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C28 | 178.2° | 178.2° |
| C25 | C24 | C23 | H3 | 132.0° | 132.0° |
| C22 | C21 | O32 | N20 | 121.8° | 121.8° |
| C22 | C21 | O32 | C31 | 123.8° | 123.8° |
| C22 | C21 | N20 | C31 | 128.5° | 128.5° |
| C22 | C21 | N20 | C18 | 126.9° | 126.9° |
| C22 | C21 | C31 | C16 | 163.5° | 163.5° |
| C22 | C21 | N20 | H201 | 53.2° | 53.2° |
| C21 | C22 | C23 | H3 | 109.8° | 109.8° |
| C22 | C21 | C31 | H312 | 75.8° | 75.8° |
| C22 | C21 | C31 | H311 | 42.7° | 42.7° |
| C22 | C21 | O32 | H321 | 180.0° | 180.0° |
| C26 | C27 | C04 | H272 | 122.7° | 122.7° |
| C26 | C27 | C04 | H271 | 122.7° | 122.7° |
| C27 | C26 | C25 | C28 | 133.9° | 133.9° |
| C26 | C27 | C04 | C03 | 106.0° | 106.0° |
| C26 | C27 | C04 | C05 | 73.2° | 73.2° |
| C27 | C26 | C28 | H283 | 180.0° | 180.0° |
| C27 | C26 | C28 | H282 | 60.0° | 60.0° |
| C27 | C26 | C28 | H281 | 60.0° | 60.0° |
| C27 | C26 | C25 | H251 | 135.7° | 135.7° |
| C26 | C27 | H272 | H271 | 110.7° | 110.7° |
| C04 | C27 | C26 | C25 | 112.0° | 112.0° |
| C04 | C27 | C26 | C28 | 18.7° | 18.7° |
| C27 | C04 | C03 | C05 | 179.2° | 179.2° |
| C27 | C04 | C03 | C02 | 179.9° | 179.9° |
| C27 | C04 | C05 | C06 | 180.0° | 180.0° |
| C27 | C04 | C03 | H031 | 0.1° | 0.1° |
| C27 | C04 | C05 | H051 | 0.0° | 0.0° |
| C04 | C27 | H272 | H271 | 110.7° | 110.7° |
| C39 | C38 | C40 | C36 | 130.5° | 130.5° |
| C39 | C38 | C40 | H381 | 113.5° | 113.5° |
| C39 | C38 | C36 | H381 | 115.6° | 115.6° |
| C39 | C38 | C36 | O35 | 97.1° | 97.1° |
| C39 | C38 | C36 | O37 | 55.9° | 55.9° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C39 | C38 | C40 | H403 | 180.0° | 180.0° |
| C39 | C38 | C40 | H401 | 60.0° | 60.0° |
| C39 | C38 | C40 | H402 | 60.0° | 60.0° |
| C26 | C25 | C24 | H241 | 54.1° | 54.1° |
| C25 | C26 | C28 | H283 | 36.7° | 36.7° |
| C25 | C26 | C28 | H282 | 83.3° | 83.3° |
| C25 | C26 | C28 | H281 | 156.7° | 156.7° |
| C25 | C26 | C27 | H272 | 10.6° | 10.6° |
| C25 | C26 | C27 | H271 | 125.3° | 125.3° |
| C26 | C28 | H283 | H282 | 120.0° | 120.0° |
| C26 | C28 | H283 | H281 | 120.0° | 120.0° |
| C26 | C28 | H282 | H281 | 120.0° | 120.0° |
| C28 | C26 | C25 | H251 | 1.8° | 1.8° |
| C28 | C26 | C27 | H272 | 141.4° | 141.4° |
| C28 | C26 | C27 | H271 | 104.0° | 104.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | O42 | 179.9° | 179.9° |
| C04 | C03 | C02 | C01 | 0.5° | 0.5° |
| C03 | C04 | C05 | C06 | 0.8° | 0.8° |
| C03 | C04 | C05 | H051 | 179.2° | 179.2° |
| C03 | C04 | C27 | H272 | 131.4° | 131.4° |
| C03 | C04 | C27 | H271 | 16.8° | 16.7° |
| C02 | C03 | C04 | C05 | 0.8° | 0.8° |
| C03 | C02 | O42 | C01 | 179.6° | 179.6° |
| C03 | C02 | C01 | C06 | 0.2° | 0.2° |
| C03 | C02 | C01 | CL4 | 180.0° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.4° | 0.4° |
| C04 | C05 | C06 | N07 | 179.2° | 179.2° |
| C05 | C04 | C03 | H031 | 179.2° | 179.2° |
| C05 | C04 | C27 | H272 | 49.5° | 49.5° |
| C05 | C04 | C27 | H271 | 164.1° | 164.1° |
| C40 | C38 | C36 | H381 | 116.0° | 116.0° |
| C40 | C38 | C36 | O35 | 31.2° | 31.2° |
| C40 | C38 | C36 | O37 | 175.7° | 175.7° |
| C40 | C38 | C39 | H391 | 180.0° | 180.0° |
| C40 | C38 | C39 | H392 | 60.0° | 60.0° |
| C40 | C38 | C39 | H393 | 60.0° | 60.0° |
| C38 | C40 | H403 | H401 | 120.0° | 120.0° |
| C38 | C40 | H403 | H402 | 120.0° | 120.0° |
| C38 | C40 | H401 | H402 | 120.0° | 120.0° |
| O42 | C02 | C01 | C06 | 179.8° | 179.8° |
| O42 | C02 | C01 | CL4 | 0.4° | 0.4° |
| O42 | C02 | C03 | H031 | 0.1° | 0.1° |
| C02 | O42 | C43 | H431 | 180.0° | 180.0° |
| C02 | O42 | C43 | H433 | 60.0° | 60.0° |
| C02 | O42 | C43 | H432 | 60.0° | 60.0° |
| O32 | C21 | N20 | C31 | 111.0° | 111.0° |
| O32 | C21 | N20 | C18 | 112.6° | 112.6° |
| O32 | C21 | C31 | C16 | 76.8° | 76.8° |
| O32 | C21 | C22 | H221 | 159.6° | 159.6° |
| O32 | C21 | N20 | H201 | 67.4° | 67.4° |
| O32 | C21 | C31 | H312 | 44.0° | 44.0° |
| O32 | C21 | C31 | H311 | 162.5° | 162.5° |
| C21 | N20 | C18 | H201 | 180.0° | 180.0° |
| N20 | C21 | C31 | C16 | 37.3° | 37.3° |
| C21 | N20 | C18 | O19 | 163.1° | 163.1° |
| C21 | N20 | C18 | O17 | 16.7° | 16.7° |
| N20 | C21 | C22 | H221 | 81.0° | 81.0° |
| N20 | C21 | C31 | H312 | 158.0° | 158.0° |
| N20 | C21 | C31 | H311 | 83.5° | 83.5° |
| N20 | C21 | O32 | H321 | 58.2° | 58.2° |
| C31 | C21 | N20 | C18 | 1.6° | 1.6° |
| C21 | C31 | C16 | H312 | 120.7° | 120.7° |
| C21 | C31 | C16 | H311 | 120.7° | 120.8° |
| C21 | C31 | C16 | O17 | 60.9° | 60.9° |
| C21 | C31 | C16 | C15 | 174.2° | 174.2° |
| C31 | C21 | C22 | H221 | 43.4° | 43.4° |
| C21 | C31 | C16 | H161 | 54.1° | 54.1° |
| C31 | C21 | N20 | H201 | 178.3° | 178.3° |
| C21 | C31 | H312 | H311 | 117.7° | 117.7° |
| C31 | C21 | O32 | H321 | 56.1° | 56.1° |
| C38 | C36 | O35 | O37 | 154.4° | 154.4° |
| C38 | C36 | O35 | C11 | 111.5° | 111.5° |
| C36 | C38 | C39 | H391 | 49.1° | 49.1° |
| C36 | C38 | C39 | H392 | 70.9° | 70.9° |
| C36 | C38 | C39 | H393 | 169.1° | 169.1° |
| C36 | C38 | C40 | H403 | 49.5° | 49.5° |
| C36 | C38 | C40 | H401 | 169.5° | 169.5° |
| C36 | C38 | C40 | H402 | 70.5° | 70.5° |
| C02 | C01 | C06 | C05 | 0.1° | 0.1° |
| C02 | C01 | C06 | CL4 | 179.8° | 179.8° |
| C02 | C01 | C06 | N07 | 179.4° | 179.4° |
| C01 | C02 | C03 | H031 | 179.5° | 179.5° |
| N20 | C18 | O19 | O17 | 179.8° | 179.8° |
| N20 | C18 | O17 | C16 | 10.5° | 10.5° |
| C05 | C06 | C01 | N07 | 179.5° | 179.5° |
| C05 | C06 | C01 | CL4 | 179.9° | 179.9° |
| C05 | C06 | N07 | C08 | 11.8° | 11.8° |
| C05 | C06 | N07 | C41 | 169.6° | 169.6° |
| C31 | C16 | O17 | C18 | 47.3° | 47.3° |
| C31 | C16 | O17 | C15 | 131.3° | 131.3° |
| C31 | C16 | O17 | H161 | 114.4° | 114.4° |
| C31 | C16 | C15 | H161 | 121.0° | 121.0° |
| C31 | C16 | C15 | C14 | 50.5° | 50.5° |
| C31 | C16 | C15 | C33 | 85.8° | 85.8° |
| C31 | C16 | C15 | H151 | 162.3° | 162.3° |
| C16 | C31 | H312 | H311 | 117.7° | 117.7° |
| C36 | O35 | C11 | C10 | 82.9° | 82.9° |
| C36 | O35 | C11 | C12 | 144.5° | 144.5° |
| C36 | O35 | C11 | H111 | 30.2° | 30.2° |
| O35 | C36 | C38 | H381 | 147.2° | 147.2° |
| O37 | C36 | O35 | C11 | 94.1° | 94.1° |
| O37 | C36 | C38 | H381 | 59.7° | 59.7° |
| C01 | C06 | N07 | C08 | 167.7° | 167.7° |
| C01 | C06 | N07 | C41 | 10.9° | 10.9° |
| C01 | C06 | C05 | H051 | 179.6° | 179.6° |
| CL4 | C01 | C06 | N07 | 0.4° | 0.4° |
| O19 | C18 | O17 | C16 | 169.7° | 169.7° |
| O19 | C18 | N20 | H201 | 16.9° | 16.9° |
| C18 | O17 | C16 | C15 | 178.6° | 178.6° |
| C18 | O17 | C16 | H161 | 67.2° | 67.2° |
| O17 | C18 | N20 | H201 | 163.3° | 163.3° |
| O35 | C11 | C10 | C12 | 127.3° | 127.3° |
| O35 | C11 | C10 | H111 | 114.5° | 114.5° |
| O35 | C11 | C10 | C08 | 172.5° | 172.5° |
| O35 | C11 | C12 | C13 | 69.3° | 69.3° |
| O35 | C11 | C12 | H111 | 115.1° | 115.1° |
| O35 | C11 | C12 | C14 | 74.4° | 74.4° |
| O35 | C11 | C12 | O34 | 137.1° | 137.1° |
| O35 | C11 | C10 | H101 | 65.0° | 65.0° |
| O35 | C11 | C10 | H102 | 50.0° | 50.0° |
| C06 | N07 | C08 | C10 | 3.0° | 3.0° |
| C06 | N07 | C08 | C41 | 178.7° | 178.7° |
| C06 | N07 | C08 | O09 | 177.7° | 177.7° |
| N07 | C06 | C05 | H051 | 0.8° | 0.8° |
| C06 | N07 | C41 | H411 | 180.0° | 180.0° |
| C06 | N07 | C41 | H413 | 60.0° | 60.0° |
| C06 | N07 | C41 | H412 | 60.0° | 60.0° |
| C11 | C10 | C08 | H101 | 122.5° | 122.5° |
| C11 | C10 | C08 | H102 | 122.5° | 122.5° |
| C10 | C11 | C12 | C13 | 57.9° | 57.9° |
| C10 | C11 | C12 | H111 | 117.7° | 117.7° |
| C11 | C10 | C08 | N07 | 126.0° | 126.0° |
| C11 | C10 | C08 | O09 | 59.1° | 59.1° |
| C10 | C11 | C12 | C14 | 158.4° | 158.4° |
| C10 | C11 | C12 | O34 | 95.7° | 95.7° |
| C11 | C10 | H101 | H102 | 111.6° | 111.6° |
| C08 | C10 | C11 | C12 | 45.2° | 45.2° |
| C10 | C08 | N07 | O09 | 174.7° | 174.7° |
| C10 | C08 | N07 | C41 | 175.7° | 175.7° |
| C08 | C10 | H101 | H102 | 111.6° | 111.6° |
| C08 | C10 | C11 | H111 | 73.0° | 73.0° |
| O17 | C16 | C15 | H161 | 116.0° | 116.0° |
| O17 | C16 | C15 | C14 | 173.5° | 173.5° |
| O17 | C16 | C15 | C33 | 37.2° | 37.2° |
| O17 | C16 | C15 | H151 | 74.7° | 74.7° |
| O17 | C16 | C31 | H312 | 178.4° | 178.4° |
| O17 | C16 | C31 | H311 | 59.9° | 59.9° |
| C16 | C15 | C14 | C12 | 70.0° | 70.0° |
| C16 | C15 | C14 | C33 | 137.9° | 137.9° |
| C16 | C15 | C14 | H151 | 111.2° | 111.1° |
| C16 | C15 | C33 | H151 | 111.1° | 111.1° |
| C16 | C15 | C14 | O34 | 141.2° | 141.2° |
| C16 | C15 | C14 | H141 | 74.3° | 74.3° |
| C15 | C16 | C31 | H312 | 53.5° | 53.5° |
| C15 | C16 | C31 | H311 | 65.1° | 65.0° |
| C16 | C15 | C33 | H333 | 180.0° | 180.0° |
| C16 | C15 | C33 | H331 | 60.0° | 60.0° |
| C16 | C15 | C33 | H332 | 60.0° | 60.0° |
| C13 | C12 | C11 | C14 | 143.6° | 143.6° |
| C13 | C12 | C11 | O34 | 153.7° | 153.7° |
| C13 | C12 | C14 | O34 | 101.9° | 101.9° |
| C13 | C12 | C14 | C15 | 8.1° | 8.1° |
| C12 | C13 | H133 | H132 | 120.0° | 120.0° |
| C12 | C13 | H133 | H131 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C13 | C12 | C11 | H111 | 175.6° | 175.6° |
| C13 | C12 | C14 | H141 | 152.4° | 152.4° |
| C11 | C12 | C14 | O34 | 112.1° | 112.1° |
| C11 | C12 | C14 | C15 | 137.9° | 137.9° |
| C12 | C11 | C10 | H101 | 167.7° | 167.7° |
| C12 | C11 | C10 | H102 | 77.3° | 77.3° |
| C11 | C12 | C13 | H133 | 180.0° | 180.0° |
| C11 | C12 | C13 | H132 | 60.0° | 60.0° |
| C11 | C12 | C13 | H131 | 60.0° | 60.0° |
| C11 | C12 | C14 | H141 | 6.5° | 6.5° |
| N07 | C08 | C10 | H101 | 111.5° | 111.5° |
| N07 | C08 | C10 | H102 | 3.5° | 3.5° |
| C08 | N07 | C41 | H411 | 1.2° | 1.2° |
| C08 | N07 | C41 | H413 | 118.8° | 118.8° |
| C08 | N07 | C41 | H412 | 121.2° | 121.2° |
| C41 | N07 | C08 | O09 | 0.9° | 0.9° |
| N07 | C41 | H411 | H413 | 120.0° | 120.0° |
| N07 | C41 | H411 | H412 | 120.0° | 120.0° |
| N07 | C41 | H413 | H412 | 120.0° | 120.0° |
| O09 | C08 | C10 | H101 | 63.4° | 63.4° |
| O09 | C08 | C10 | H102 | 178.5° | 178.5° |
| C12 | C14 | C15 | O34 | 71.2° | 71.2° |
| C12 | C14 | C15 | H141 | 144.3° | 144.3° |
| C12 | C14 | C15 | C33 | 67.9° | 67.9° |
| C12 | C14 | O34 | H141 | 102.5° | 102.5° |
| C14 | C12 | C13 | H133 | 38.9° | 38.9° |
| C14 | C12 | C13 | H132 | 158.9° | 158.9° |
| C14 | C12 | C13 | H131 | 81.1° | 81.1° |
| C12 | C14 | C15 | H151 | 178.8° | 178.9° |
| C14 | C12 | C11 | H111 | 40.7° | 40.7° |
| O34 | C12 | C13 | H133 | 25.1° | 25.1° |
| O34 | C12 | C13 | H132 | 94.9° | 94.8° |
| O34 | C12 | C13 | H131 | 145.1° | 145.1° |
| O34 | C12 | C11 | H111 | 22.0° | 22.0° |
| C14 | C15 | C33 | H151 | 110.8° | 110.8° |
| C15 | C14 | O34 | H141 | 143.9° | 143.9° |
| C14 | C15 | C16 | H161 | 70.5° | 70.5° |
| C14 | C15 | C33 | H333 | 41.9° | 41.9° |
| C14 | C15 | C33 | H331 | 78.2° | 78.1° |
| C14 | C15 | C33 | H332 | 161.9° | 161.9° |
| C33 | C15 | C14 | O34 | 3.3° | 3.3° |
| C33 | C15 | C14 | H141 | 147.8° | 147.8° |
| C33 | C15 | C16 | H161 | 153.2° | 153.2° |
| C15 | C33 | H333 | H331 | 120.0° | 120.0° |
| C15 | C33 | H333 | H332 | 120.0° | 120.0° |
| C15 | C33 | H331 | H332 | 120.0° | 120.0° |
| O34 | C14 | C15 | H151 | 107.6° | 107.6° |
| H101 | C10 | C11 | H111 | 49.5° | 49.5° |
| H102 | C10 | C11 | H111 | 164.5° | 164.5° |
| H133 | C13 | H132 | H131 | 120.0° | 120.0° |
| H151 | C15 | C14 | H141 | 36.9° | 36.8° |
| H151 | C15 | C16 | H161 | 41.3° | 41.3° |
| H151 | C15 | C33 | H333 | 68.9° | 68.9° |
| H151 | C15 | C33 | H331 | 171.1° | 171.1° |
| H151 | C15 | C33 | H332 | 51.1° | 51.1° |
| H221 | C22 | C23 | H3 | 131.1° | 131.1° |
| H241 | C24 | C23 | H3 | 48.0° | 48.0° |
| H241 | C24 | C25 | H251 | 125.9° | 125.9° |
| H283 | C28 | H282 | H281 | 120.0° | 120.0° |
| H161 | C16 | C31 | H312 | 66.6° | 66.6° |
| H161 | C16 | C31 | H311 | 174.9° | 174.9° |
| H302 | C30 | H303 | H301 | 120.0° | 120.0° |
| H333 | C33 | H331 | H332 | 120.0° | 120.0° |
| H381 | C38 | C39 | H391 | 66.5° | 66.5° |
| H381 | C38 | C39 | H392 | 173.5° | 173.5° |
| H381 | C38 | C39 | H393 | 53.5° | 53.5° |
| H381 | C38 | C40 | H403 | 66.5° | 66.5° |
| H381 | C38 | C40 | H401 | 53.5° | 53.5° |
| H381 | C38 | C40 | H402 | 173.5° | 173.5° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
| H403 | C40 | H401 | H402 | 120.0° | 120.0° |
| H411 | C41 | H413 | H412 | 119.9° | 119.9° |
| H431 | C43 | H433 | H432 | 120.0° | 120.0° |
