A1B32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.50Å | |
| C35 | C33 | sing | 1.51Å | 1.46Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| O34 | C33 | doub | 1.21Å | 1.21Å | |
| C33 | O32 | sing | 1.34Å | 1.36Å | |
| C42 | C43 | sing | 1.53Å | 1.50Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| O40 | C39 | doub | 1.21Å | 1.22Å | |
| C43 | C41 | sing | 1.53Å | 1.54Å | |
| C30 | C06 | sing | 1.55Å | 1.56Å | |
| O32 | C31 | sing | 1.45Å | 1.41Å | |
| C41 | C39 | sing | 1.51Å | 1.51Å | |
| C39 | O38 | sing | 1.34Å | 1.37Å | |
| C31 | C06 | sing | 1.53Å | 1.57Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.51Å | 1.56Å | |
| O38 | C05 | sing | 1.45Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.52Å | 1.55Å | |
| C08 | C09 | sing | 1.51Å | 1.60Å | |
| C07 | C02 | sing | 1.52Å | 1.57Å | |
| C04 | C03 | sing | 1.52Å | 1.49Å | |
| C09 | O29 | sing | 1.44Å | 1.41Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | C01 | sing | 1.54Å | 1.57Å | |
| C02 | C11 | sing | 1.51Å | 1.66Å | |
| C10 | C11 | sing | 1.52Å | 1.54Å | |
| C10 | O15 | sing | 1.45Å | 1.42Å | |
| C10 | C28 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.52Å | 1.61Å | |
| O15 | C14 | sing | 1.35Å | 1.38Å | |
| C12 | O27 | sing | 1.42Å | 1.40Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.36Å | |
| C14 | C16 | sing | 1.41Å | 1.48Å | |
| C13 | C19 | sing | 1.40Å | 1.45Å | |
| C16 | C17 | doub | 1.36Å | 1.38Å | |
| C19 | O20 | doub | 1.22Å | 1.22Å | |
| C19 | O18 | sing | 1.34Å | 1.40Å | |
| C17 | O18 | sing | 1.34Å | 1.37Å | |
| C17 | C21 | sing | 1.48Å | 1.55Å | |
| C26 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N23 | doub | 1.32Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.32Å | 1.35Å | Aromatic |
| C11 | H111 | sing | 1.13Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.13Å | 1.10Å | |
| C08 | H082 | sing | 1.10Å | 1.10Å | |
| C08 | H081 | sing | 1.10Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O29 | H291 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C36 | C37 | 60.2° | 60.0° |
| C36 | C35 | C33 | 118.2° | 117.5° |
| C36 | C35 | C37 | 59.6° | 60.0° |
| C36 | C35 | H351 | 115.9° | 117.5° |
| C35 | C36 | H361 | 119.9° | 117.5° |
| C35 | C36 | H362 | 120.0° | 117.5° |
| C36 | C37 | C35 | 60.2° | 60.0° |
| C37 | C36 | H361 | 120.0° | 117.5° |
| C37 | C36 | H362 | 120.0° | 117.5° |
| C36 | C37 | H372 | 120.0° | 117.5° |
| C36 | C37 | H371 | 120.0° | 117.4° |
| C33 | C35 | C37 | 118.2° | 117.5° |
| C35 | C33 | O34 | 128.4° | 120.0° |
| C35 | C33 | O32 | 108.1° | 120.0° |
| C33 | C35 | H351 | 116.8° | 115.6° |
| C37 | C35 | H351 | 115.8° | 117.5° |
| C35 | C37 | H372 | 120.0° | 117.5° |
| C35 | C37 | H371 | 120.0° | 117.5° |
| O34 | C33 | O32 | 123.5° | 120.0° |
| C33 | O32 | C31 | 114.5° | 117.0° |
| C43 | C42 | C41 | 61.4° | 60.0° |
| C42 | C43 | C41 | 60.2° | 60.0° |
| C43 | C42 | H421 | 119.7° | 117.5° |
| C43 | C42 | H422 | 119.8° | 117.5° |
| C42 | C43 | H432 | 119.9° | 117.5° |
| C42 | C43 | H431 | 120.0° | 117.5° |
| C42 | C41 | C43 | 58.4° | 60.0° |
| C42 | C41 | C39 | 116.9° | 117.5° |
| C42 | C41 | H411 | 117.5° | 117.5° |
| C41 | C42 | H421 | 119.8° | 117.5° |
| C41 | C42 | H422 | 119.8° | 117.5° |
| O40 | C39 | C41 | 119.9° | 120.0° |
| O40 | C39 | O38 | 115.7° | 120.0° |
| C43 | C41 | C39 | 115.7° | 117.5° |
| C43 | C41 | H411 | 117.1° | 117.5° |
| C41 | C43 | H432 | 120.0° | 117.5° |
| C41 | C43 | H431 | 120.0° | 117.5° |
| C30 | C06 | C31 | 108.0° | 107.3° |
| C30 | C06 | C05 | 115.6° | 106.4° |
| C30 | C06 | C07 | 103.7° | 108.3° |
| C06 | C30 | H303 | 109.5° | 109.5° |
| C06 | C30 | H301 | 109.5° | 109.5° |
| C06 | C30 | H302 | 109.5° | 109.5° |
| O32 | C31 | C06 | 117.3° | 109.4° |
| O32 | C31 | H312 | 107.5° | 109.5° |
| O32 | C31 | H311 | 107.5° | 109.4° |
| C41 | C39 | O38 | 124.5° | 120.0° |
| C39 | C41 | H411 | 117.8° | 115.5° |
| C39 | O38 | C05 | 112.2° | 117.0° |
| C31 | C06 | C05 | 113.2° | 108.6° |
| C31 | C06 | C07 | 110.9° | 113.2° |
| C06 | C31 | H312 | 107.5° | 109.5° |
| C06 | C31 | H311 | 107.5° | 109.5° |
| C05 | C06 | C07 | 105.1° | 112.7° |
| C06 | C05 | O38 | 110.7° | 109.5° |
| C06 | C05 | C04 | 115.1° | 110.2° |
| C06 | C05 | H051 | 108.0° | 109.1° |
| C06 | C07 | C08 | 108.2° | 113.3° |
| C06 | C07 | C02 | 125.3° | 117.4° |
| C06 | C07 | H071 | 104.6° | 104.8° |
| O38 | C05 | C04 | 105.3° | 109.9° |
| O38 | C05 | H051 | 109.2° | 108.9° |
| C05 | C04 | C03 | 114.5° | 108.6° |
| C05 | C04 | H041 | 108.2° | 109.1° |
| C05 | C04 | H042 | 108.2° | 110.7° |
| C04 | C05 | H051 | 108.3° | 109.3° |
| C07 | C08 | C09 | 118.2° | 115.5° |
| C08 | C07 | C02 | 107.6° | 111.1° |
| C08 | C07 | H071 | 104.7° | 104.5° |
| C07 | C08 | H082 | 107.3° | 108.7° |
| C07 | C08 | H081 | 107.2° | 109.7° |
| C08 | C09 | O29 | 103.3° | 108.3° |
| C08 | C09 | C10 | 118.0° | 114.4° |
| C09 | C08 | H082 | 107.2° | 108.8° |
| C09 | C08 | H081 | 107.3° | 108.6° |
| C08 | C09 | H091 | 108.4° | 111.1° |
| C07 | C02 | C03 | 110.3° | 111.4° |
| C07 | C02 | C01 | 99.5° | 106.7° |
| C07 | C02 | C11 | 115.9° | 111.7° |
| C02 | C07 | H071 | 104.6° | 104.2° |
| C04 | C03 | C02 | 108.5° | 110.6° |
| C04 | C03 | H031 | 109.7° | 109.8° |
| C04 | C03 | H032 | 109.7° | 109.8° |
| C03 | C04 | H041 | 108.2° | 109.3° |
| C03 | C04 | H042 | 108.2° | 110.4° |
| O29 | C09 | C10 | 106.9° | 107.6° |
| O29 | C09 | H091 | 111.0° | 106.1° |
| C09 | O29 | H291 | 109.5° | 114.0° |
| C09 | C10 | C11 | 109.2° | 111.7° |
| C09 | C10 | O15 | 114.5° | 106.5° |
| C09 | C10 | C28 | 101.0° | 110.0° |
| C10 | C09 | H091 | 109.0° | 109.0° |
| C03 | C02 | C01 | 103.7° | 105.4° |
| C03 | C02 | C11 | 105.0° | 109.5° |
| C02 | C03 | H031 | 109.7° | 108.8° |
| C02 | C03 | H032 | 109.7° | 109.4° |
| C01 | C02 | C11 | 121.7° | 112.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C11 | C10 | 111.9° | 115.2° |
| C02 | C11 | C12 | 116.9° | 113.6° |
| C02 | C11 | H111 | 106.1° | 106.1° |
| C11 | C10 | O15 | 110.4° | 106.3° |
| C11 | C10 | C28 | 110.0° | 114.6° |
| C10 | C11 | C12 | 107.4° | 111.0° |
| C10 | C11 | H111 | 107.4° | 105.4° |
| O15 | C10 | C28 | 111.5° | 107.2° |
| C10 | O15 | C14 | 116.3° | 117.8° |
| C10 | C28 | H283 | 109.5° | 109.4° |
| C10 | C28 | H281 | 109.5° | 109.5° |
| C10 | C28 | H282 | 109.4° | 109.5° |
| C11 | C12 | O27 | 108.6° | 114.0° |
| C11 | C12 | C13 | 115.7° | 108.8° |
| C12 | C11 | H111 | 106.6° | 104.5° |
| C11 | C12 | H121 | 109.4° | 108.7° |
| O15 | C14 | C13 | 118.5° | 122.8° |
| O15 | C14 | C16 | 122.9° | 119.2° |
| O27 | C12 | C13 | 99.7° | 109.2° |
| O27 | C12 | H121 | 112.5° | 108.6° |
| C12 | O27 | H271 | 109.5° | 114.0° |
| C12 | C13 | C14 | 121.8° | 121.0° |
| C12 | C13 | C19 | 116.1° | 119.6° |
| C13 | C12 | H121 | 110.6° | 107.3° |
| C13 | C14 | C16 | 116.4° | 118.0° |
| C14 | C13 | C19 | 117.6° | 119.3° |
| C14 | C16 | C17 | 123.9° | 119.6° |
| C14 | C16 | H161 | 118.1° | 120.1° |
| C13 | C19 | O20 | 125.6° | 119.5° |
| C13 | C19 | O18 | 121.3° | 121.2° |
| C16 | C17 | O18 | 116.4° | 122.1° |
| C16 | C17 | C21 | 127.4° | 119.0° |
| C17 | C16 | H161 | 118.1° | 120.3° |
| O20 | C19 | O18 | 113.1° | 119.3° |
| C19 | O18 | C17 | 121.5° | 119.7° |
| O18 | C17 | C21 | 114.1° | 118.9° |
| C17 | C21 | C26 | 124.8° | 120.6° |
| C17 | C21 | C22 | 125.3° | 120.5° |
| C21 | C26 | C25 | 124.5° | 118.3° |
| C26 | C21 | C22 | 109.9° | 118.8° |
| C21 | C26 | H261 | 117.8° | 120.8° |
| C26 | C25 | C24 | 119.6° | 119.3° |
| C26 | C25 | H251 | 120.2° | 120.3° |
| C25 | C26 | H261 | 117.7° | 120.9° |
| C21 | C22 | N23 | 127.1° | 120.5° |
| C21 | C22 | H221 | 116.5° | 119.7° |
| C25 | C24 | N23 | 118.9° | 121.1° |
| C25 | C24 | H241 | 120.5° | 119.5° |
| C24 | C25 | H251 | 120.3° | 120.4° |
| C22 | N23 | C24 | 120.0° | 121.9° |
| N23 | C22 | H221 | 116.5° | 119.7° |
| N23 | C24 | H241 | 120.5° | 119.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 108.4° |
| H041 | C04 | H042 | 109.5° | 108.8° |
| H082 | C08 | H081 | 109.5° | 105.0° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 115.6° |
| H372 | C37 | H371 | 109.4° | 115.6° |
| H421 | C42 | H422 | 109.5° | 115.6° |
| H432 | C43 | H431 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C36 | C37 | H361 | 109.5° | 107.5° |
| C35 | C36 | C37 | H362 | 109.5° | 107.5° |
| C36 | C35 | C33 | C37 | 68.7° | 68.6° |
| C36 | C35 | C33 | H351 | 145.7° | 145.7° |
| C36 | C35 | C37 | H351 | 106.1° | 107.5° |
| C36 | C35 | C33 | O34 | 81.7° | 68.6° |
| C36 | C35 | C33 | O32 | 98.9° | 111.3° |
| C35 | C36 | H361 | H362 | 144.6° | 145.7° |
| C35 | C36 | C37 | H372 | 109.5° | 107.5° |
| C35 | C36 | C37 | H371 | 109.5° | 107.5° |
| C37 | C36 | H361 | H362 | 144.6° | 145.7° |
| C36 | C37 | H372 | H371 | 144.6° | 145.6° |
| C33 | C35 | C37 | H351 | 146.0° | 145.0° |
| C35 | C33 | O34 | O32 | 179.3° | 179.9° |
| C35 | C33 | O32 | C31 | 174.3° | 180.0° |
| C33 | C35 | C36 | H361 | 1.6° | 0.0° |
| C33 | C35 | C36 | H362 | 142.5° | 145.0° |
| C33 | C35 | C37 | H372 | 1.6° | 145.0° |
| C33 | C35 | C37 | H371 | 142.6° | 0.1° |
| C37 | C35 | C33 | O34 | 150.4° | 0.0° |
| C37 | C35 | C33 | O32 | 30.2° | 180.0° |
| C35 | C37 | H372 | H371 | 144.6° | 145.7° |
| O34 | C33 | O32 | C31 | 6.2° | 0.1° |
| O34 | C33 | C35 | H351 | 64.0° | 145.7° |
| C33 | O32 | C31 | C06 | 95.8° | 180.0° |
| C33 | O32 | C31 | H312 | 25.4° | 59.9° |
| C33 | O32 | C31 | H311 | 143.1° | 60.1° |
| O32 | C33 | C35 | H351 | 115.5° | 34.4° |
| C43 | C42 | C41 | H421 | 109.8° | 107.5° |
| C43 | C42 | C41 | H422 | 109.9° | 107.4° |
| C42 | C43 | C41 | H432 | 109.5° | 107.5° |
| C42 | C43 | C41 | H431 | 109.5° | 107.5° |
| C43 | C42 | C41 | C39 | 105.0° | 107.6° |
| C43 | C42 | C41 | H411 | 106.5° | 107.5° |
| C43 | C42 | H421 | H422 | 144.0° | 145.7° |
| C42 | C43 | H432 | H431 | 144.6° | 145.7° |
| C42 | C41 | C39 | O40 | 4.7° | 0.0° |
| C42 | C41 | C39 | H411 | 148.5° | 145.6° |
| C42 | C41 | C39 | O38 | 175.3° | 180.0° |
| C41 | C42 | H421 | H422 | 144.0° | 145.8° |
| O40 | C39 | C41 | C43 | 61.3° | 68.7° |
| O40 | C39 | C41 | O38 | 180.0° | 180.0° |
| O40 | C39 | O38 | C05 | 105.8° | 0.0° |
| O40 | C39 | C41 | H411 | 153.2° | 145.6° |
| C43 | C41 | C39 | H411 | 145.6° | 145.7° |
| C43 | C41 | C39 | O38 | 118.8° | 111.3° |
| C41 | C43 | H432 | H431 | 144.7° | 145.7° |
| C30 | C06 | C31 | O32 | 89.9° | 54.6° |
| C30 | C06 | C31 | C05 | 129.3° | 114.6° |
| C30 | C06 | C31 | C07 | 112.9° | 119.4° |
| C30 | C06 | C05 | C07 | 113.6° | 118.6° |
| C30 | C06 | C05 | O38 | 35.5° | 48.8° |
| C30 | C06 | C05 | C04 | 154.7° | 169.8° |
| C30 | C06 | C07 | C08 | 76.0° | 69.0° |
| C30 | C06 | C07 | C02 | 155.4° | 159.3° |
| C30 | C06 | C05 | H051 | 84.1° | 70.2° |
| C30 | C06 | C07 | H071 | 35.2° | 44.3° |
| C06 | C30 | H303 | H301 | 120.0° | 120.1° |
| C06 | C30 | H303 | H302 | 120.0° | 120.0° |
| C06 | C30 | H301 | H302 | 120.0° | 120.0° |
| C30 | C06 | C31 | H312 | 31.3° | 174.6° |
| C30 | C06 | C31 | H311 | 149.0° | 65.3° |
| O32 | C31 | C06 | H312 | 121.2° | 120.0° |
| O32 | C31 | C06 | H311 | 121.1° | 119.9° |
| O32 | C31 | C06 | C05 | 39.4° | 60.0° |
| O32 | C31 | C06 | C07 | 157.2° | 174.0° |
| O32 | C31 | H312 | H311 | 116.4° | 119.9° |
| C41 | C39 | O38 | C05 | 74.1° | 179.9° |
| C39 | C41 | C42 | H421 | 4.9° | 145.0° |
| C39 | C41 | C42 | H422 | 145.2° | 0.1° |
| C39 | C41 | C43 | H432 | 143.4° | 0.0° |
| C39 | C41 | C43 | H431 | 2.4° | 145.0° |
| C39 | O38 | C05 | C06 | 108.6° | 148.8° |
| C39 | O38 | C05 | C04 | 126.4° | 90.0° |
| C39 | O38 | C05 | H051 | 10.3° | 29.6° |
| O38 | C39 | C41 | H411 | 26.8° | 34.5° |
| C31 | C06 | C05 | C07 | 121.1° | 126.3° |
| C31 | C06 | C05 | O38 | 160.8° | 164.0° |
| C31 | C06 | C05 | C04 | 80.0° | 75.0° |
| C31 | C06 | C07 | C08 | 39.7° | 49.9° |
| C31 | C06 | C07 | C02 | 88.9° | 81.8° |
| C31 | C06 | C05 | H051 | 41.2° | 45.0° |
| C31 | C06 | C07 | H071 | 150.9° | 163.2° |
| C31 | C06 | C30 | H303 | 180.0° | 56.1° |
| C31 | C06 | C30 | H301 | 60.0° | 64.0° |
| C31 | C06 | C30 | H302 | 60.0° | 176.0° |
| C06 | C31 | H312 | H311 | 116.4° | 120.1° |
| C06 | C05 | O38 | C04 | 125.0° | 121.2° |
| C06 | C05 | O38 | H051 | 118.9° | 119.2° |
| C06 | C05 | C04 | H051 | 121.0° | 119.9° |
| C05 | C06 | C07 | C08 | 162.3° | 173.6° |
| C05 | C06 | C07 | C02 | 33.7° | 41.9° |
| C06 | C05 | C04 | C03 | 61.7° | 62.8° |
| C06 | C05 | C04 | H041 | 59.0° | 178.2° |
| C06 | C05 | C04 | H042 | 177.6° | 58.6° |
| C05 | C06 | C07 | H071 | 86.5° | 73.1° |
| C05 | C06 | C30 | H303 | 52.1° | 60.0° |
| C05 | C06 | C30 | H301 | 67.9° | 180.0° |
| C05 | C06 | C30 | H302 | 172.1° | 60.0° |
| C05 | C06 | C31 | H312 | 160.6° | 60.0° |
| C05 | C06 | C31 | H311 | 81.7° | 179.9° |
| C07 | C06 | C05 | O38 | 78.2° | 69.8° |
| C07 | C06 | C05 | C04 | 41.1° | 51.2° |
| C06 | C07 | C08 | C02 | 138.0° | 134.7° |
| C06 | C07 | C08 | H071 | 111.2° | 113.5° |
| C06 | C07 | C08 | C09 | 96.1° | 85.2° |
| C06 | C07 | C02 | H071 | 120.3° | 115.3° |
| C06 | C07 | C02 | C03 | 39.4° | 42.1° |
| C06 | C07 | C02 | C01 | 147.9° | 156.7° |
| C06 | C07 | C02 | C11 | 79.7° | 80.6° |
| C07 | C06 | C05 | H051 | 162.3° | 171.2° |
| C06 | C07 | C08 | H082 | 142.7° | 152.2° |
| C06 | C07 | C08 | H081 | 25.1° | 37.9° |
| C07 | C06 | C30 | H303 | 62.4° | 178.6° |
| C07 | C06 | C30 | H301 | 177.6° | 58.6° |
| C07 | C06 | C30 | H302 | 57.6° | 61.4° |
| C07 | C06 | C31 | H312 | 81.6° | 66.0° |
| C07 | C06 | C31 | H311 | 36.1° | 54.1° |
| O38 | C05 | C04 | H051 | 116.8° | 119.4° |
| O38 | C05 | C04 | C03 | 60.5° | 58.0° |
| O38 | C05 | C04 | H041 | 178.8° | 61.0° |
| O38 | C05 | C04 | H042 | 60.2° | 179.3° |
| C05 | C04 | C03 | H041 | 120.7° | 118.9° |
| C05 | C04 | C03 | H042 | 120.7° | 121.5° |
| C05 | C04 | C03 | C02 | 63.0° | 63.8° |
| C05 | C04 | C03 | H031 | 177.2° | 56.2° |
| C05 | C04 | C03 | H032 | 56.9° | 175.3° |
| C05 | C04 | H041 | H042 | 117.7° | 120.8° |
| C07 | C08 | C09 | H082 | 121.2° | 122.5° |
| C07 | C08 | C09 | H081 | 121.2° | 123.7° |
| C08 | C07 | C02 | H071 | 110.9° | 111.9° |
| C07 | C08 | C09 | O29 | 161.2° | 166.0° |
| C07 | C08 | C09 | C10 | 43.4° | 46.0° |
| C08 | C07 | C02 | C03 | 168.2° | 174.9° |
| C08 | C07 | C02 | C01 | 83.3° | 70.6° |
| C08 | C07 | C02 | C11 | 49.1° | 52.1° |
| C07 | C08 | H082 | H081 | 116.0° | 117.3° |
| C07 | C08 | C09 | H091 | 81.0° | 77.9° |
| C09 | C08 | C07 | C02 | 41.9° | 49.5° |
| C08 | C09 | O29 | C10 | 125.2° | 124.2° |
| C08 | C09 | O29 | H091 | 116.0° | 119.3° |
| C08 | C09 | C10 | H091 | 124.1° | 125.0° |
| C08 | C09 | C10 | C11 | 46.0° | 43.8° |
| C08 | C09 | C10 | O15 | 170.3° | 159.5° |
| C08 | C09 | C10 | C28 | 69.9° | 84.7° |
| C09 | C08 | C07 | H071 | 152.7° | 161.3° |
| C09 | C08 | H082 | H081 | 116.1° | 116.1° |
| C08 | C09 | O29 | H291 | 180.0° | 60.0° |
| C07 | C02 | C03 | C04 | 48.3° | 52.4° |
| C07 | C02 | C03 | C01 | 105.8° | 115.4° |
| C07 | C02 | C03 | C11 | 125.5° | 124.0° |
| C07 | C02 | C01 | C11 | 128.6° | 122.5° |
| C07 | C02 | C11 | C10 | 57.6° | 53.8° |
| C07 | C02 | C11 | C12 | 178.0° | 176.6° |
| C07 | C02 | C11 | H111 | 59.3° | 62.4° |
| C07 | C02 | C01 | H012 | 180.0° | 64.6° |
| C07 | C02 | C01 | H013 | 60.0° | 55.4° |
| C07 | C02 | C01 | H011 | 60.0° | 175.4° |
| C07 | C02 | C03 | H031 | 168.1° | 68.2° |
| C07 | C02 | C03 | H032 | 71.6° | 173.5° |
| C02 | C07 | C08 | H082 | 79.3° | 73.1° |
| C02 | C07 | C08 | H081 | 163.1° | 172.6° |
| C04 | C03 | C02 | H031 | 119.9° | 120.6° |
| C04 | C03 | C02 | H032 | 119.8° | 121.1° |
| C04 | C03 | C02 | C01 | 154.0° | 167.8° |
| C04 | C03 | C02 | C11 | 77.3° | 71.6° |
| C04 | C03 | H031 | H032 | 120.4° | 120.0° |
| C03 | C04 | H041 | H042 | 117.7° | 120.6° |
| C03 | C04 | C05 | H051 | 177.3° | 177.4° |
| O29 | C09 | C10 | H091 | 120.1° | 114.6° |
| O29 | C09 | C10 | C11 | 161.8° | 164.2° |
| O29 | C09 | C10 | O15 | 73.9° | 80.1° |
| O29 | C09 | C10 | C28 | 45.9° | 35.7° |
| O29 | C09 | C08 | H082 | 39.9° | 43.5° |
| O29 | C09 | C08 | H081 | 77.6° | 70.3° |
| C09 | C10 | C11 | C02 | 51.0° | 48.8° |
| C09 | C10 | C11 | O15 | 126.7° | 115.8° |
| C09 | C10 | C11 | C28 | 109.9° | 126.0° |
| C09 | C10 | O15 | C28 | 113.8° | 117.7° |
| C09 | C10 | C11 | C12 | 179.4° | 179.6° |
| C09 | C10 | O15 | C14 | 172.1° | 168.6° |
| C09 | C10 | C11 | H111 | 65.0° | 67.8° |
| C10 | C09 | C08 | H082 | 77.8° | 76.5° |
| C10 | C09 | C08 | H081 | 164.6° | 169.7° |
| C09 | C10 | C28 | H283 | 180.0° | 59.8° |
| C09 | C10 | C28 | H281 | 60.0° | 60.2° |
| C09 | C10 | C28 | H282 | 60.0° | 179.7° |
| C10 | C09 | O29 | H291 | 54.8° | 175.8° |
| C03 | C02 | C01 | C11 | 117.6° | 118.9° |
| C03 | C02 | C11 | C10 | 179.5° | 177.7° |
| C03 | C02 | C11 | C12 | 56.0° | 52.7° |
| C03 | C02 | C11 | H111 | 62.7° | 61.5° |
| C03 | C02 | C01 | H012 | 66.2° | 54.0° |
| C03 | C02 | C01 | H013 | 53.8° | 173.9° |
| C03 | C02 | C01 | H011 | 173.8° | 66.1° |
| C02 | C03 | H031 | H032 | 120.4° | 118.9° |
| C02 | C03 | C04 | H041 | 57.8° | 177.3° |
| C02 | C03 | C04 | H042 | 176.3° | 57.7° |
| C03 | C02 | C07 | H071 | 80.9° | 73.2° |
| C01 | C02 | C11 | C10 | 63.5° | 65.8° |
| C01 | C02 | C11 | C12 | 60.9° | 63.8° |
| C01 | C02 | C11 | H111 | 179.7° | 178.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 86.1° | 47.2° |
| C01 | C02 | C03 | H032 | 34.2° | 71.1° |
| C01 | C02 | C07 | H071 | 27.6° | 41.4° |
| C02 | C11 | C10 | C12 | 129.6° | 130.8° |
| C02 | C11 | C10 | H111 | 116.1° | 116.6° |
| C02 | C11 | C10 | O15 | 177.7° | 164.6° |
| C02 | C11 | C10 | C28 | 58.9° | 77.2° |
| C02 | C11 | C12 | H111 | 118.5° | 115.2° |
| C02 | C11 | C12 | O27 | 40.8° | 57.2° |
| C02 | C11 | C12 | C13 | 151.9° | 179.3° |
| C02 | C11 | C12 | H121 | 82.4° | 64.1° |
| C11 | C02 | C01 | H012 | 51.4° | 172.9° |
| C11 | C02 | C01 | H013 | 171.4° | 67.1° |
| C11 | C02 | C01 | H011 | 68.6° | 52.9° |
| C11 | C02 | C03 | H031 | 42.6° | 167.8° |
| C11 | C02 | C03 | H032 | 162.9° | 49.5° |
| C11 | C02 | C07 | H071 | 160.0° | 164.0° |
| C11 | C10 | O15 | C28 | 122.5° | 123.0° |
| C10 | C11 | C12 | H111 | 114.9° | 113.2° |
| C11 | C10 | O15 | C14 | 64.2° | 49.4° |
| C10 | C11 | C12 | O27 | 85.9° | 74.5° |
| C10 | C11 | C12 | C13 | 25.2° | 47.6° |
| C10 | C11 | C12 | H121 | 150.9° | 164.2° |
| C11 | C10 | C09 | H091 | 78.1° | 81.2° |
| C11 | C10 | C28 | H283 | 64.8° | 67.1° |
| C11 | C10 | C28 | H281 | 55.3° | 172.9° |
| C11 | C10 | C28 | H282 | 175.2° | 52.9° |
| O15 | C10 | C11 | C12 | 52.7° | 64.6° |
| C10 | O15 | C14 | C13 | 40.7° | 18.6° |
| C10 | O15 | C14 | C16 | 156.7° | 161.5° |
| O15 | C10 | C11 | H111 | 61.7° | 48.0° |
| O15 | C10 | C09 | H091 | 46.2° | 34.5° |
| O15 | C10 | C28 | H283 | 58.0° | 175.2° |
| O15 | C10 | C28 | H281 | 178.1° | 55.2° |
| O15 | C10 | C28 | H282 | 62.0° | 64.8° |
| C28 | C10 | C11 | C12 | 70.7° | 53.6° |
| C28 | C10 | O15 | C14 | 58.4° | 73.7° |
| C28 | C10 | C11 | H111 | 174.9° | 166.2° |
| C28 | C10 | C09 | H091 | 166.0° | 150.3° |
| C10 | C28 | H283 | H281 | 120.0° | 120.1° |
| C10 | C28 | H283 | H282 | 120.0° | 120.0° |
| C10 | C28 | H281 | H282 | 119.9° | 120.1° |
| C11 | C12 | O27 | C13 | 121.4° | 121.9° |
| C11 | C12 | O27 | H121 | 121.3° | 121.4° |
| C11 | C12 | C13 | H121 | 125.1° | 117.5° |
| C11 | C12 | C13 | C14 | 4.3° | 15.6° |
| C11 | C12 | C13 | C19 | 151.2° | 164.4° |
| C11 | C12 | O27 | H271 | 180.0° | 180.0° |
| O15 | C14 | C13 | C12 | 9.8° | 0.3° |
| O15 | C14 | C13 | C16 | 163.7° | 179.9° |
| O15 | C14 | C13 | C19 | 145.4° | 179.8° |
| O15 | C14 | C16 | C17 | 152.1° | 179.7° |
| O15 | C14 | C16 | H161 | 27.9° | 0.2° |
| O27 | C12 | C13 | H121 | 118.7° | 117.6° |
| O27 | C12 | C13 | C14 | 111.9° | 109.3° |
| O27 | C12 | C13 | C19 | 92.6° | 70.6° |
| O27 | C12 | C11 | H111 | 159.3° | 172.4° |
| C12 | C13 | C14 | C19 | 155.2° | 180.0° |
| C12 | C13 | C14 | C16 | 173.5° | 179.8° |
| C12 | C13 | C19 | O20 | 11.1° | 0.5° |
| C12 | C13 | C19 | O18 | 168.9° | 179.5° |
| C13 | C12 | C11 | H111 | 89.6° | 65.6° |
| C13 | C12 | O27 | H271 | 58.5° | 58.2° |
| C13 | C14 | C16 | C17 | 10.8° | 0.4° |
| C14 | C13 | C19 | O20 | 167.7° | 179.6° |
| C14 | C13 | C19 | O18 | 12.3° | 0.5° |
| C14 | C13 | C12 | H121 | 129.4° | 133.1° |
| C13 | C14 | C16 | H161 | 169.2° | 179.7° |
| C16 | C14 | C13 | C19 | 18.3° | 0.2° |
| C14 | C16 | C17 | H161 | 180.0° | 179.9° |
| C14 | C16 | C17 | O18 | 4.6° | 0.5° |
| C14 | C16 | C17 | C21 | 167.3° | 179.3° |
| C13 | C19 | O20 | O18 | 180.0° | 179.9° |
| C13 | C19 | O18 | C17 | 3.6° | 0.4° |
| C19 | C13 | C12 | H121 | 26.1° | 46.9° |
| C16 | C17 | O18 | C19 | 11.6° | 0.2° |
| C16 | C17 | O18 | C21 | 165.0° | 179.8° |
| C16 | C17 | C21 | C26 | 12.1° | 179.7° |
| C16 | C17 | C21 | C22 | 167.9° | 0.0° |
| O20 | C19 | O18 | C17 | 176.3° | 179.7° |
| C19 | O18 | C17 | C21 | 176.5° | 179.6° |
| O18 | C17 | C21 | C26 | 175.1° | 0.4° |
| O18 | C17 | C21 | C22 | 4.9° | 179.8° |
| O18 | C17 | C16 | H161 | 175.4° | 179.5° |
| C17 | C21 | C26 | C22 | 179.9° | 179.8° |
| C17 | C21 | C26 | C25 | 180.0° | 180.0° |
| C17 | C21 | C22 | N23 | 180.0° | 180.0° |
| C21 | C17 | C16 | H161 | 12.7° | 0.6° |
| C17 | C21 | C22 | H221 | 0.0° | 0.0° |
| C17 | C21 | C26 | H261 | 0.0° | 0.1° |
| C21 | C26 | C25 | H261 | 180.0° | 179.9° |
| C21 | C26 | C25 | C24 | 0.0° | 0.1° |
| C26 | C21 | C22 | N23 | 0.1° | 0.2° |
| C26 | C21 | C22 | H221 | 179.9° | 179.8° |
| C21 | C26 | C25 | H251 | 179.9° | 179.8° |
| C25 | C26 | C21 | C22 | 0.1° | 0.2° |
| C26 | C25 | C24 | H251 | 180.0° | 179.7° |
| C26 | C25 | C24 | N23 | 0.2° | 0.3° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C21 | C22 | N23 | H221 | 180.0° | 180.0° |
| C21 | C22 | N23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C26 | H261 | 179.9° | 179.7° |
| C25 | C24 | N23 | C22 | 0.2° | 0.3° |
| C25 | C24 | N23 | H241 | 180.0° | 179.7° |
| C24 | C25 | C26 | H261 | 179.9° | 180.0° |
| C22 | N23 | C24 | H241 | 179.8° | 180.0° |
| C24 | N23 | C22 | H221 | 179.9° | 180.0° |
| N23 | C24 | C25 | H251 | 179.8° | 180.0° |
| H111 | C11 | C12 | H121 | 36.1° | 51.0° |
| H121 | C12 | O27 | H271 | 58.7° | 58.6° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 62.1° | 62.7° |
| H031 | C03 | C04 | H042 | 56.4° | 177.7° |
| H032 | C03 | C04 | H041 | 177.6° | 56.4° |
| H032 | C03 | C04 | H042 | 63.9° | 63.2° |
| H041 | C04 | C05 | H051 | 62.0° | 58.4° |
| H042 | C04 | C05 | H051 | 56.6° | 61.3° |
| H071 | C07 | C08 | H082 | 31.5° | 38.7° |
| H071 | C07 | C08 | H081 | 86.0° | 75.6° |
| H082 | C08 | C09 | H091 | 157.8° | 159.6° |
| H081 | C08 | C09 | H091 | 40.2° | 45.8° |
| H091 | C09 | O29 | H291 | 63.9° | 59.3° |
| H241 | C24 | C25 | H251 | 0.2° | 0.3° |
| H251 | C25 | C26 | H261 | 0.1° | 0.3° |
| H283 | C28 | H281 | H282 | 120.0° | 120.0° |
| H303 | C30 | H301 | H302 | 120.0° | 120.0° |
| H351 | C35 | C36 | H361 | 144.4° | 145.1° |
| H351 | C35 | C36 | H362 | 3.4° | 0.0° |
| H351 | C35 | C37 | H372 | 144.3° | 0.0° |
| H351 | C35 | C37 | H371 | 3.4° | 145.1° |
| H361 | C36 | C37 | H372 | 0.0° | 145.0° |
| H361 | C36 | C37 | H371 | 141.0° | 0.0° |
| H362 | C36 | C37 | H372 | 140.9° | 0.1° |
| H362 | C36 | C37 | H371 | 0.0° | 145.0° |
| H411 | C41 | C42 | H421 | 143.7° | 0.1° |
| H411 | C41 | C42 | H422 | 3.4° | 145.0° |
| H411 | C41 | C43 | H432 | 2.4° | 145.0° |
| H411 | C41 | C43 | H431 | 143.4° | 0.1° |
| H421 | C42 | C43 | H432 | 140.6° | 145.0° |
| H421 | C42 | C43 | H431 | 0.3° | 0.0° |
| H422 | C42 | C43 | H432 | 0.3° | 0.0° |
| H422 | C42 | C43 | H431 | 140.6° | 145.0° |
