XO0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | O40 | sing | 1.43Å | 1.43Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| O40 | C41 | sing | 1.43Å | 1.42Å | |
| C38 | N37 | sing | 1.47Å | 1.43Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| N37 | C36 | sing | 1.47Å | 1.47Å | |
| N37 | C42 | sing | 1.47Å | 1.42Å | |
| C36 | C35 | sing | 1.51Å | 1.54Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | N43 | sing | 1.32Å | 1.32Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| N43 | C44 | doub | 1.32Å | 1.33Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C44 | C32 | sing | 1.40Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.48Å | 1.52Å | |
| O29 | C28 | doub | 1.22Å | 1.27Å | |
| C28 | O30 | sing | 1.35Å | 1.28Å | |
| C28 | C27 | sing | 1.47Å | 1.51Å | |
| C31 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C45 | sing | 1.47Å | 1.41Å | Aromatic |
| C27 | N26 | sing | 1.38Å | 1.33Å | Aromatic |
| C45 | C46 | doub | 1.40Å | 1.40Å | Aromatic |
| C45 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| C46 | C47 | sing | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| N26 | C25 | sing | 1.37Å | 1.35Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C47 | C48 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.44Å | Aromatic |
| C14 | C12 | sing | 1.48Å | 1.57Å | |
| O05 | C04 | doub | 1.21Å | 1.20Å | |
| C24 | C48 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C02 | sing | 1.51Å | 1.53Å | |
| C15 | C20 | sing | 1.48Å | 1.57Å | |
| O13 | C12 | doub | 1.21Å | 1.18Å | |
| C12 | N11 | sing | 1.35Å | 1.38Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C06 | sing | 1.48Å | 1.52Å | |
| C04 | O03 | sing | 1.35Å | 1.38Å | |
| C02 | O03 | sing | 1.45Å | 1.41Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C22 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | N11 | sing | 1.34Å | 1.38Å | |
| C20 | O21 | doub | 1.21Å | 1.19Å | |
| N11 | C10 | sing | 1.47Å | 1.46Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | 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 | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| O30 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C39 | C38 | 112.5° | 109.3° |
| C39 | O40 | C41 | 110.2° | 113.7° |
| O40 | C39 | H391 | 108.7° | 109.5° |
| O40 | C39 | H392 | 108.7° | 109.5° |
| C39 | C38 | N37 | 112.9° | 109.3° |
| C39 | C38 | H381 | 108.6° | 109.4° |
| C39 | C38 | H382 | 108.6° | 109.6° |
| C38 | C39 | H391 | 108.7° | 109.5° |
| C38 | C39 | H392 | 108.7° | 109.5° |
| O40 | C41 | C42 | 109.9° | 109.2° |
| O40 | C41 | H412 | 109.4° | 109.5° |
| O40 | C41 | H411 | 109.4° | 109.5° |
| C38 | N37 | C36 | 111.2° | 111.0° |
| C38 | N37 | C42 | 112.9° | 110.7° |
| N37 | C38 | H381 | 108.6° | 109.5° |
| N37 | C38 | H382 | 108.6° | 109.5° |
| C41 | C42 | N37 | 111.4° | 109.3° |
| C42 | C41 | H412 | 109.4° | 109.5° |
| C42 | C41 | H411 | 109.3° | 109.5° |
| C41 | C42 | H421 | 109.0° | 109.5° |
| C41 | C42 | H422 | 109.0° | 109.5° |
| C36 | N37 | C42 | 110.2° | 111.0° |
| N37 | C36 | C35 | 111.0° | 109.5° |
| N37 | C36 | H362 | 109.1° | 109.5° |
| N37 | C36 | H361 | 109.1° | 109.5° |
| N37 | C42 | H421 | 108.9° | 109.5° |
| N37 | C42 | H422 | 109.0° | 109.5° |
| C36 | C35 | C34 | 118.4° | 119.5° |
| C36 | C35 | N43 | 120.7° | 119.4° |
| C35 | C36 | H362 | 109.1° | 109.5° |
| C35 | C36 | H361 | 109.1° | 109.5° |
| C34 | C35 | N43 | 120.9° | 121.1° |
| C35 | C34 | C33 | 120.0° | 119.3° |
| C35 | C34 | H341 | 120.0° | 120.3° |
| C35 | N43 | C44 | 121.3° | 121.9° |
| C34 | C33 | C32 | 117.5° | 118.3° |
| C34 | C33 | H331 | 121.2° | 120.9° |
| C33 | C34 | H341 | 120.0° | 120.4° |
| N43 | C44 | C32 | 120.6° | 120.6° |
| N43 | C44 | H441 | 119.7° | 119.8° |
| C33 | C32 | C44 | 119.7° | 118.9° |
| C33 | C32 | C31 | 120.3° | 120.6° |
| C32 | C33 | H331 | 121.2° | 120.9° |
| C44 | C32 | C31 | 119.9° | 120.5° |
| C32 | C44 | H441 | 119.7° | 119.7° |
| C32 | C31 | C27 | 126.9° | 126.8° |
| C32 | C31 | C45 | 127.3° | 126.8° |
| O29 | C28 | O30 | 120.4° | 120.0° |
| O29 | C28 | C27 | 117.8° | 120.0° |
| O30 | C28 | C27 | 121.5° | 120.0° |
| C28 | O30 | H2 | 109.5° | 114.0° |
| C28 | C27 | C31 | 127.6° | 125.5° |
| C28 | C27 | N26 | 122.9° | 125.5° |
| C27 | C31 | C45 | 105.8° | 106.4° |
| C31 | C27 | N26 | 109.4° | 109.0° |
| C31 | C45 | C46 | 132.9° | 133.6° |
| C31 | C45 | C25 | 106.8° | 106.5° |
| C27 | N26 | C25 | 109.1° | 110.1° |
| C27 | N26 | H261 | 125.5° | 125.0° |
| C46 | C45 | C25 | 120.3° | 119.9° |
| C45 | C46 | C47 | 119.5° | 119.8° |
| C45 | C46 | H461 | 120.3° | 120.1° |
| C45 | C25 | N26 | 109.0° | 107.9° |
| C45 | C25 | C24 | 120.4° | 119.2° |
| C46 | C47 | C48 | 120.6° | 120.6° |
| C47 | C46 | H461 | 120.3° | 120.1° |
| C46 | C47 | H471 | 119.7° | 119.7° |
| C17 | C18 | C19 | 119.8° | 120.4° |
| C18 | C17 | C16 | 120.3° | 120.5° |
| C18 | C17 | H171 | 119.9° | 119.8° |
| C17 | C18 | H181 | 120.1° | 119.8° |
| C18 | C19 | C14 | 119.7° | 119.8° |
| C18 | C19 | H191 | 120.1° | 120.1° |
| C19 | C18 | H181 | 120.1° | 119.8° |
| C17 | C16 | C15 | 120.2° | 119.7° |
| C17 | C16 | H161 | 119.9° | 120.1° |
| C16 | C17 | H171 | 119.8° | 119.7° |
| N26 | C25 | C24 | 130.6° | 132.9° |
| C25 | N26 | H261 | 125.5° | 124.9° |
| C19 | C14 | C15 | 121.0° | 119.8° |
| C19 | C14 | C12 | 136.6° | 134.3° |
| C14 | C19 | H191 | 120.1° | 120.1° |
| C25 | C24 | C48 | 118.9° | 119.9° |
| C25 | C24 | C02 | 120.2° | 120.1° |
| C47 | C48 | C24 | 120.3° | 120.6° |
| C48 | C47 | H471 | 119.7° | 119.7° |
| C47 | C48 | H481 | 119.8° | 119.7° |
| C16 | C15 | C14 | 119.0° | 119.8° |
| C16 | C15 | C20 | 137.7° | 134.3° |
| C15 | C16 | H161 | 119.9° | 120.1° |
| C15 | C14 | C12 | 102.4° | 105.9° |
| C14 | C15 | C20 | 103.2° | 105.9° |
| C14 | C12 | O13 | 121.4° | 125.7° |
| C14 | C12 | N11 | 116.7° | 108.6° |
| O05 | C04 | C06 | 124.6° | 120.0° |
| O05 | C04 | O03 | 121.3° | 120.0° |
| C48 | C24 | C02 | 120.9° | 120.0° |
| C24 | C48 | H481 | 119.8° | 119.7° |
| C24 | C02 | O03 | 110.8° | 109.5° |
| C24 | C02 | C01 | 113.0° | 109.5° |
| C24 | C02 | H021 | 108.9° | 109.5° |
| C15 | C20 | N11 | 116.2° | 108.6° |
| C15 | C20 | O21 | 122.0° | 125.7° |
| O13 | C12 | N11 | 121.9° | 125.7° |
| C12 | N11 | C20 | 101.5° | 111.1° |
| C12 | N11 | C10 | 128.3° | 124.4° |
| C22 | C23 | C06 | 120.2° | 119.9° |
| C23 | C22 | C09 | 120.7° | 120.1° |
| C23 | C22 | H221 | 119.7° | 120.0° |
| C22 | C23 | H231 | 119.9° | 120.1° |
| C23 | C06 | C04 | 122.4° | 120.1° |
| C23 | C06 | C07 | 119.4° | 119.7° |
| C06 | C23 | H231 | 119.9° | 120.1° |
| C06 | C04 | O03 | 114.1° | 120.0° |
| C04 | C06 | C07 | 118.2° | 120.2° |
| C04 | O03 | C02 | 116.7° | 117.0° |
| O03 | C02 | C01 | 104.6° | 109.5° |
| O03 | C02 | H021 | 110.5° | 109.4° |
| C01 | C02 | H021 | 108.9° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C22 | C09 | C10 | 119.8° | 119.8° |
| C22 | C09 | C08 | 119.0° | 120.3° |
| C09 | C22 | H221 | 119.6° | 119.9° |
| C06 | C07 | C08 | 120.3° | 119.8° |
| C06 | C07 | H071 | 119.8° | 120.1° |
| N11 | C20 | O21 | 121.8° | 125.7° |
| C20 | N11 | C10 | 130.2° | 124.5° |
| N11 | C10 | C09 | 111.8° | 109.4° |
| N11 | C10 | H101 | 108.9° | 109.5° |
| N11 | C10 | H102 | 108.9° | 109.5° |
| C10 | C09 | C08 | 121.2° | 119.9° |
| C09 | C10 | H101 | 108.9° | 109.5° |
| C09 | C10 | H102 | 108.9° | 109.5° |
| C09 | C08 | C07 | 120.4° | 120.2° |
| C09 | C08 | H081 | 119.8° | 119.9° |
| C07 | C08 | H081 | 119.8° | 119.9° |
| C08 | C07 | H071 | 119.9° | 120.1° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.6° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C39 | C38 | H391 | 120.5° | 119.9° |
| O40 | C39 | C38 | H392 | 120.5° | 120.0° |
| O40 | C39 | C38 | N37 | 48.8° | 56.9° |
| C39 | O40 | C41 | C42 | 59.9° | 58.7° |
| O40 | C39 | C38 | H381 | 169.3° | 176.8° |
| O40 | C39 | C38 | H382 | 71.7° | 63.1° |
| O40 | C39 | H391 | H392 | 118.6° | 120.1° |
| C39 | O40 | C41 | H412 | 180.0° | 61.3° |
| C39 | O40 | C41 | H411 | 60.1° | 178.6° |
| C38 | C39 | O40 | C41 | 55.4° | 58.7° |
| C39 | C38 | N37 | H381 | 120.5° | 119.9° |
| C39 | C38 | N37 | H382 | 120.5° | 120.0° |
| C39 | C38 | N37 | C36 | 172.0° | 177.6° |
| C39 | C38 | N37 | C42 | 47.4° | 58.7° |
| C39 | C38 | H381 | H382 | 118.4° | 120.1° |
| C38 | C39 | H391 | H392 | 118.6° | 120.1° |
| O40 | C41 | C42 | H412 | 120.1° | 119.9° |
| O40 | C41 | C42 | H411 | 120.1° | 119.9° |
| O40 | C41 | C42 | N37 | 59.1° | 56.9° |
| C41 | O40 | C39 | H391 | 65.1° | 178.6° |
| C41 | O40 | C39 | H392 | 175.9° | 61.3° |
| O40 | C41 | H412 | H411 | 119.8° | 120.1° |
| O40 | C41 | C42 | H421 | 61.2° | 63.1° |
| O40 | C41 | C42 | H422 | 179.4° | 176.8° |
| C38 | N37 | C42 | C41 | 52.6° | 58.7° |
| C38 | N37 | C36 | C42 | 126.0° | 123.6° |
| C38 | N37 | C36 | C35 | 149.6° | 170.0° |
| C38 | N37 | C36 | H362 | 29.4° | 70.0° |
| C38 | N37 | C36 | H361 | 90.1° | 50.0° |
| N37 | C38 | H381 | H382 | 118.5° | 120.1° |
| N37 | C38 | C39 | H391 | 71.7° | 176.8° |
| N37 | C38 | C39 | H392 | 169.3° | 63.1° |
| C38 | N37 | C42 | H421 | 67.7° | 61.3° |
| C38 | N37 | C42 | H422 | 172.9° | 178.6° |
| C41 | C42 | N37 | C36 | 177.7° | 177.6° |
| C41 | C42 | N37 | H421 | 120.3° | 120.0° |
| C41 | C42 | N37 | H422 | 120.3° | 119.9° |
| C42 | C41 | H412 | H411 | 119.8° | 120.1° |
| C41 | C42 | H421 | H422 | 119.1° | 120.1° |
| N37 | C36 | C35 | H362 | 120.2° | 120.0° |
| N37 | C36 | C35 | H361 | 120.2° | 120.0° |
| N37 | C36 | C35 | C34 | 103.7° | 94.9° |
| N37 | C36 | C35 | N43 | 77.4° | 85.0° |
| N37 | C36 | H362 | H361 | 119.3° | 120.0° |
| C36 | N37 | C38 | H381 | 67.5° | 57.7° |
| C36 | N37 | C38 | H382 | 51.5° | 62.4° |
| C36 | N37 | C42 | H421 | 57.4° | 62.4° |
| C36 | N37 | C42 | H422 | 62.0° | 57.7° |
| C42 | N37 | C36 | C35 | 84.4° | 66.4° |
| C42 | N37 | C36 | H362 | 155.4° | 53.6° |
| C42 | N37 | C36 | H361 | 35.9° | 173.6° |
| C42 | N37 | C38 | H381 | 167.9° | 178.5° |
| C42 | N37 | C38 | H382 | 73.1° | 61.4° |
| N37 | C42 | C41 | H412 | 179.1° | 63.0° |
| N37 | C42 | C41 | H411 | 61.0° | 176.8° |
| N37 | C42 | H421 | H422 | 119.1° | 120.1° |
| C36 | C35 | C34 | N43 | 178.9° | 179.9° |
| C36 | C35 | C34 | C33 | 179.9° | 180.0° |
| C36 | C35 | N43 | C44 | 179.9° | 179.7° |
| C36 | C35 | C34 | H341 | 0.1° | 0.1° |
| C35 | C36 | H362 | H361 | 119.3° | 120.0° |
| C35 | C34 | C33 | H341 | 180.0° | 180.0° |
| C34 | C35 | N43 | C44 | 1.2° | 0.2° |
| C35 | C34 | C33 | C32 | 0.9° | 0.0° |
| C35 | C34 | C33 | H331 | 179.1° | 180.0° |
| C34 | C35 | C36 | H362 | 16.6° | 145.0° |
| C34 | C35 | C36 | H361 | 136.1° | 25.1° |
| N43 | C35 | C34 | C33 | 1.2° | 0.0° |
| C35 | N43 | C44 | C32 | 0.9° | 0.5° |
| N43 | C35 | C34 | H341 | 178.8° | 180.0° |
| N43 | C35 | C36 | H362 | 162.4° | 35.0° |
| N43 | C35 | C36 | H361 | 42.8° | 155.0° |
| C35 | N43 | C44 | H441 | 179.1° | 179.8° |
| C34 | C33 | C32 | H331 | 180.0° | 180.0° |
| C34 | C33 | C32 | C44 | 0.6° | 0.2° |
| C34 | C33 | C32 | C31 | 179.1° | 180.0° |
| N43 | C44 | C32 | C33 | 0.6° | 0.5° |
| N43 | C44 | C32 | H441 | 180.0° | 179.7° |
| N43 | C44 | C32 | C31 | 179.1° | 179.7° |
| C33 | C32 | C44 | C31 | 179.7° | 179.7° |
| C33 | C32 | C31 | C27 | 37.6° | 64.9° |
| C33 | C32 | C31 | C45 | 142.8° | 115.0° |
| C32 | C33 | C34 | H341 | 179.1° | 180.0° |
| C33 | C32 | C44 | H441 | 179.4° | 179.8° |
| C44 | C32 | C31 | C27 | 142.0° | 115.3° |
| C44 | C32 | C31 | C45 | 37.6° | 64.7° |
| C44 | C32 | C33 | H331 | 179.5° | 179.8° |
| C32 | C31 | C27 | C28 | 3.0° | 0.0° |
| C32 | C31 | C27 | C45 | 179.6° | 180.0° |
| C32 | C31 | C27 | N26 | 180.0° | 180.0° |
| C32 | C31 | C45 | C46 | 0.6° | 0.0° |
| C32 | C31 | C45 | C25 | 179.8° | 180.0° |
| C31 | C32 | C33 | H331 | 0.9° | 0.0° |
| C31 | C32 | C44 | H441 | 0.9° | 0.0° |
| O29 | C28 | O30 | C27 | 174.2° | 179.9° |
| O29 | C28 | C27 | C31 | 36.7° | 0.1° |
| O29 | C28 | C27 | N26 | 139.9° | 180.0° |
| O29 | C28 | O30 | H2 | 0.0° | 0.1° |
| O30 | C28 | C27 | C31 | 149.0° | 180.0° |
| O30 | C28 | C27 | N26 | 34.4° | 0.1° |
| C28 | C27 | C31 | N26 | 177.0° | 179.9° |
| C28 | C27 | C31 | C45 | 176.6° | 180.0° |
| C28 | C27 | N26 | C25 | 176.7° | 180.0° |
| C28 | C27 | N26 | H261 | 3.3° | 0.1° |
| C27 | C28 | O30 | H2 | 174.2° | 180.0° |
| C27 | C31 | C45 | C46 | 179.7° | 180.0° |
| C27 | C31 | C45 | C25 | 0.2° | 0.0° |
| C31 | C27 | N26 | C25 | 0.4° | 0.0° |
| C31 | C27 | N26 | H261 | 179.6° | 179.9° |
| C45 | C31 | C27 | N26 | 0.4° | 0.0° |
| C31 | C45 | C46 | C25 | 179.5° | 180.0° |
| C31 | C45 | C46 | C47 | 179.7° | 180.0° |
| C31 | C45 | C25 | N26 | 0.0° | 0.0° |
| C31 | C45 | C25 | C24 | 179.9° | 180.0° |
| C31 | C45 | C46 | H461 | 0.3° | 0.0° |
| C27 | N26 | C25 | C45 | 0.3° | 0.0° |
| C27 | N26 | C25 | H261 | 180.0° | 179.9° |
| C27 | N26 | C25 | C24 | 179.7° | 180.0° |
| C45 | C46 | C47 | H461 | 180.0° | 180.0° |
| C46 | C45 | C25 | N26 | 179.6° | 180.0° |
| C46 | C45 | C25 | C24 | 0.5° | 0.1° |
| C45 | C46 | C47 | C48 | 0.0° | 0.1° |
| C45 | C46 | C47 | H471 | 180.0° | 180.0° |
| C25 | C45 | C46 | C47 | 0.2° | 0.0° |
| C45 | C25 | N26 | C24 | 180.0° | 179.9° |
| C45 | C25 | C24 | C48 | 0.6° | 0.0° |
| C45 | C25 | C24 | C02 | 179.2° | 179.7° |
| C25 | C45 | C46 | H461 | 179.8° | 180.0° |
| C45 | C25 | N26 | H261 | 179.7° | 179.9° |
| C46 | C47 | C48 | H471 | 180.0° | 179.9° |
| C46 | C47 | C48 | C24 | 0.1° | 0.1° |
| C46 | C47 | C48 | H481 | 179.8° | 179.7° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.1° | 0.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H161 | 179.9° | 180.0° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C19 | C14 | H191 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 0.1° | 0.0° |
| C18 | C19 | C14 | C12 | 179.8° | 180.0° |
| C19 | C18 | C17 | H171 | 179.8° | 180.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | C20 | 179.5° | 180.0° |
| C16 | C17 | C18 | H181 | 179.8° | 179.9° |
| N26 | C25 | C24 | C48 | 179.5° | 180.0° |
| N26 | C25 | C24 | C02 | 0.8° | 0.4° |
| C19 | C14 | C15 | C16 | 0.2° | 0.0° |
| C19 | C14 | C15 | C12 | 180.0° | 180.0° |
| C19 | C14 | C15 | C20 | 179.8° | 180.0° |
| C19 | C14 | C12 | O13 | 0.1° | 0.3° |
| C19 | C14 | C12 | N11 | 179.7° | 180.0° |
| C14 | C19 | C18 | H181 | 179.9° | 179.9° |
| C25 | C24 | C48 | C47 | 0.4° | 0.0° |
| C25 | C24 | C48 | C02 | 178.6° | 179.7° |
| C25 | C24 | C02 | O03 | 115.3° | 155.3° |
| C25 | C24 | C02 | C01 | 127.6° | 84.7° |
| C25 | C24 | C02 | H021 | 6.4° | 35.3° |
| C25 | C24 | C48 | H481 | 179.6° | 179.7° |
| C24 | C25 | N26 | H261 | 0.3° | 0.1° |
| C47 | C48 | C24 | H481 | 180.0° | 179.7° |
| C47 | C48 | C24 | C02 | 179.0° | 179.7° |
| C48 | C47 | C46 | H461 | 179.9° | 179.9° |
| C16 | C15 | C14 | C20 | 179.6° | 180.0° |
| C16 | C15 | C14 | C12 | 179.7° | 180.0° |
| C16 | C15 | C20 | N11 | 179.5° | 180.0° |
| C16 | C15 | C20 | O21 | 0.7° | 0.1° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C15 | C14 | C12 | O13 | 179.9° | 179.7° |
| C15 | C14 | C12 | N11 | 0.3° | 0.0° |
| C14 | C15 | C20 | N11 | 0.1° | 0.0° |
| C14 | C15 | C20 | O21 | 179.9° | 180.0° |
| C14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C15 | C14 | C19 | H191 | 179.8° | 180.0° |
| C12 | C14 | C15 | C20 | 0.2° | 0.0° |
| C14 | C12 | O13 | N11 | 179.8° | 179.6° |
| C14 | C12 | N11 | C20 | 0.2° | 0.0° |
| C14 | C12 | N11 | C10 | 180.0° | 180.0° |
| C12 | C14 | C19 | H191 | 0.2° | 0.0° |
| O05 | C04 | C06 | C23 | 7.1° | 179.1° |
| O05 | C04 | C06 | O03 | 179.6° | 180.0° |
| O05 | C04 | O03 | C02 | 2.1° | 0.0° |
| O05 | C04 | C06 | C07 | 173.7° | 0.1° |
| C48 | C24 | C02 | O03 | 66.1° | 25.0° |
| C48 | C24 | C02 | C01 | 51.0° | 95.0° |
| C48 | C24 | C02 | H021 | 172.2° | 145.0° |
| C24 | C48 | C47 | H471 | 179.9° | 180.0° |
| C24 | C02 | O03 | C04 | 77.1° | 150.0° |
| C24 | C02 | O03 | C01 | 122.1° | 120.0° |
| C24 | C02 | O03 | H021 | 120.8° | 120.0° |
| C24 | C02 | C01 | H021 | 121.2° | 120.0° |
| C24 | C02 | C01 | H013 | 180.0° | 60.0° |
| C24 | C02 | C01 | H011 | 60.0° | 60.0° |
| C24 | C02 | C01 | H012 | 60.0° | 180.0° |
| C02 | C24 | C48 | H481 | 0.9° | 0.0° |
| C15 | C20 | N11 | C12 | 0.1° | 0.0° |
| C15 | C20 | N11 | O21 | 179.8° | 179.9° |
| C15 | C20 | N11 | C10 | 179.8° | 180.0° |
| C20 | C15 | C16 | H161 | 0.6° | 0.1° |
| O13 | C12 | N11 | C20 | 180.0° | 179.7° |
| O13 | C12 | N11 | C10 | 0.2° | 0.3° |
| C12 | N11 | C20 | C10 | 179.7° | 180.0° |
| C12 | N11 | C20 | O21 | 179.7° | 180.0° |
| C12 | N11 | C10 | C09 | 72.6° | 90.0° |
| C12 | N11 | C10 | H101 | 167.1° | 30.0° |
| C12 | N11 | C10 | H102 | 47.8° | 150.0° |
| C22 | C23 | C06 | H231 | 180.0° | 179.8° |
| C22 | C23 | C06 | C04 | 179.9° | 179.7° |
| C23 | C22 | C09 | H221 | 180.0° | 179.7° |
| C22 | C23 | C06 | C07 | 0.7° | 0.7° |
| C23 | C22 | C09 | C10 | 179.4° | 179.8° |
| C23 | C22 | C09 | C08 | 0.3° | 0.3° |
| C23 | C06 | C04 | C07 | 179.2° | 179.0° |
| C23 | C06 | C04 | O03 | 172.5° | 0.9° |
| C06 | C23 | C22 | C09 | 0.4° | 0.1° |
| C23 | C06 | C07 | C08 | 0.2° | 0.9° |
| C06 | C23 | C22 | H221 | 179.6° | 179.7° |
| C23 | C06 | C07 | H071 | 179.9° | 179.1° |
| C06 | C04 | O03 | C02 | 178.2° | 180.0° |
| C04 | C06 | C07 | C08 | 179.4° | 180.0° |
| C04 | C06 | C07 | H071 | 0.6° | 0.1° |
| C04 | C06 | C23 | H231 | 0.1° | 0.4° |
| C04 | O03 | C02 | C01 | 160.7° | 90.0° |
| O03 | C04 | C06 | C07 | 6.7° | 180.0° |
| C04 | O03 | C02 | H021 | 43.7° | 30.0° |
| O03 | C02 | C01 | H021 | 118.1° | 119.9° |
| O03 | C02 | C01 | H013 | 59.4° | 60.0° |
| O03 | C02 | C01 | H011 | 60.7° | 180.0° |
| O03 | C02 | C01 | H012 | 179.3° | 60.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C22 | C09 | C10 | N11 | 36.8° | 90.0° |
| C22 | C09 | C10 | C08 | 179.0° | 179.9° |
| C22 | C09 | C08 | C07 | 0.9° | 0.1° |
| C22 | C09 | C10 | H101 | 83.6° | 150.0° |
| C22 | C09 | C10 | H102 | 157.1° | 30.0° |
| C22 | C09 | C08 | H081 | 179.2° | 179.9° |
| C09 | C22 | C23 | H231 | 179.6° | 179.9° |
| C06 | C07 | C08 | C09 | 0.6° | 0.6° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | H081 | 179.4° | 179.4° |
| C07 | C06 | C23 | H231 | 179.4° | 179.5° |
| C20 | N11 | C10 | C09 | 107.7° | 90.0° |
| C20 | N11 | C10 | H101 | 12.6° | 150.0° |
| C20 | N11 | C10 | H102 | 131.9° | 30.0° |
| O21 | C20 | N11 | C10 | 0.0° | 0.0° |
| N11 | C10 | C09 | H101 | 120.4° | 120.0° |
| N11 | C10 | C09 | H102 | 120.4° | 120.0° |
| N11 | C10 | C09 | C08 | 144.2° | 90.1° |
| N11 | C10 | H101 | H102 | 118.9° | 120.0° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C10 | H101 | H102 | 118.9° | 120.0° |
| C10 | C09 | C22 | H221 | 0.6° | 0.0° |
| C10 | C09 | C08 | H081 | 0.2° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C08 | C09 | C10 | H101 | 95.4° | 29.9° |
| C08 | C09 | C10 | H102 | 23.9° | 149.9° |
| C08 | C09 | C22 | H221 | 179.7° | 179.9° |
| C09 | C08 | C07 | H071 | 179.3° | 179.5° |
| H161 | C16 | C17 | H171 | 0.1° | 0.0° |
| H221 | C22 | C23 | H231 | 0.4° | 0.2° |
| H191 | C19 | C18 | H181 | 0.0° | 0.0° |
| H081 | C08 | C07 | H071 | 0.7° | 0.5° |
| H021 | C02 | C01 | H013 | 58.8° | 179.9° |
| H021 | C02 | C01 | H011 | 178.8° | 60.1° |
| H021 | C02 | C01 | H012 | 61.2° | 60.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H171 | C17 | C18 | H181 | 0.2° | 0.1° |
| H331 | C33 | C34 | H341 | 0.9° | 0.0° |
| H381 | C38 | C39 | H391 | 48.8° | 63.3° |
| H381 | C38 | C39 | H392 | 70.2° | 56.8° |
| H382 | C38 | C39 | H391 | 167.8° | 56.8° |
| H382 | C38 | C39 | H392 | 48.8° | 176.9° |
| H412 | C41 | C42 | H421 | 58.9° | 177.0° |
| H412 | C41 | C42 | H422 | 60.6° | 56.9° |
| H411 | C41 | C42 | H421 | 178.7° | 56.8° |
| H411 | C41 | C42 | H422 | 59.3° | 63.2° |
| H461 | C46 | C47 | H471 | 0.1° | 0.0° |
| H471 | C47 | C48 | H481 | 0.2° | 0.3° |
