TXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.37Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| C05 | C04 | sing | 1.51Å | 1.48Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.50Å | 1.52Å | |
| C02 | N42 | sing | 1.34Å | 1.41Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | N11 | sing | 1.50Å | 1.45Å | |
| C41 | N42 | sing | 1.45Å | 1.47Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| N42 | C37 | sing | 1.47Å | 1.45Å | |
| C40 | C39 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| O45 | C12 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.38Å | 1.37Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | C36 | sing | 1.50Å | 1.54Å | |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| O43 | C36 | doub | 1.21Å | 1.23Å | |
| C36 | N35 | sing | 1.37Å | 1.37Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | N21 | sing | 1.48Å | 1.42Å | |
| N21 | C22 | sing | 1.36Å | 1.37Å | |
| N35 | C23 | sing | 1.49Å | 1.48Å | |
| C22 | O44 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | O30 | sing | 1.43Å | 1.42Å | |
| C29 | O31 | sing | 1.43Å | 1.40Å | |
| C29 | C32 | sing | 1.53Å | 1.54Å | |
| C34 | O33 | sing | 1.43Å | 1.44Å | |
| C34 | C32 | sing | 1.53Å | 1.49Å | |
| O33 | C32 | sing | 1.43Å | 1.45Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | 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 | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | 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 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 120.9° | 120.0° |
| C09 | C10 | C05 | 120.8° | 120.0° |
| C10 | C09 | H091 | 119.6° | 120.0° |
| C09 | C10 | H101 | 119.6° | 120.0° |
| C09 | C08 | C07 | 118.8° | 120.0° |
| C09 | C08 | H081 | 120.6° | 120.0° |
| C08 | C09 | H091 | 119.5° | 120.0° |
| C10 | C05 | C04 | 121.8° | 120.1° |
| C10 | C05 | C06 | 117.7° | 120.0° |
| C05 | C10 | H101 | 119.6° | 119.9° |
| C08 | C07 | C06 | 120.4° | 120.0° |
| C08 | C07 | H071 | 119.8° | 120.0° |
| C07 | C08 | H081 | 120.6° | 120.0° |
| O01 | C02 | C03 | 116.5° | 118.5° |
| O01 | C02 | N42 | 118.1° | 118.5° |
| C04 | C05 | C06 | 120.5° | 120.0° |
| C05 | C04 | C03 | 114.0° | 109.4° |
| C05 | C04 | H041 | 108.3° | 109.5° |
| C05 | C04 | H042 | 108.3° | 109.5° |
| C05 | C06 | C07 | 121.4° | 120.0° |
| C05 | C06 | H061 | 119.3° | 119.9° |
| C04 | C03 | C02 | 110.9° | 110.0° |
| C04 | C03 | N11 | 109.6° | 110.0° |
| C04 | C03 | H031 | 106.4° | 110.0° |
| C03 | C04 | H041 | 108.3° | 109.5° |
| C03 | C04 | H042 | 108.3° | 109.5° |
| C18 | C17 | C16 | 120.4° | 120.0° |
| C17 | C18 | C19 | 118.9° | 120.0° |
| C18 | C17 | H171 | 119.8° | 120.0° |
| C17 | C18 | H181 | 120.6° | 120.0° |
| C17 | C16 | C15 | 121.4° | 120.0° |
| C17 | C16 | H161 | 119.3° | 120.0° |
| C16 | C17 | H171 | 119.8° | 120.0° |
| C03 | C02 | N42 | 125.3° | 123.0° |
| C02 | C03 | N11 | 115.8° | 106.8° |
| C02 | C03 | H031 | 106.4° | 110.0° |
| C02 | N42 | C41 | 117.7° | 122.0° |
| C02 | N42 | C37 | 122.4° | 117.2° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C19 | C18 | H181 | 120.6° | 120.0° |
| C18 | C19 | H191 | 119.6° | 120.1° |
| C07 | C06 | H061 | 119.3° | 120.0° |
| C06 | C07 | H071 | 119.8° | 120.0° |
| C03 | N11 | C12 | 123.5° | 113.7° |
| N11 | C03 | H031 | 107.2° | 110.0° |
| C03 | N11 | H111 | 118.3° | 123.2° |
| N42 | C41 | C40 | 114.5° | 111.1° |
| C41 | N42 | C37 | 119.4° | 120.6° |
| N42 | C41 | H412 | 108.2° | 109.2° |
| N42 | C41 | H411 | 108.2° | 109.1° |
| C41 | C40 | C39 | 111.5° | 109.0° |
| C41 | C40 | H401 | 109.0° | 109.6° |
| C41 | C40 | H402 | 109.0° | 109.7° |
| C40 | C41 | H412 | 108.2° | 109.4° |
| C40 | C41 | H411 | 108.2° | 108.9° |
| N42 | C37 | C38 | 111.4° | 110.0° |
| N42 | C37 | C36 | 109.3° | 108.3° |
| N42 | C37 | H371 | 108.4° | 107.9° |
| C40 | C39 | C38 | 110.5° | 108.6° |
| C40 | C39 | H392 | 109.2° | 109.6° |
| C40 | C39 | H391 | 109.2° | 109.7° |
| C39 | C40 | H401 | 108.9° | 109.6° |
| C39 | C40 | H402 | 109.0° | 109.5° |
| C16 | C15 | C20 | 116.9° | 120.0° |
| C16 | C15 | C14 | 121.6° | 120.0° |
| C15 | C16 | H161 | 119.3° | 120.0° |
| O45 | C12 | N11 | 118.8° | 120.8° |
| O45 | C12 | C13 | 121.2° | 120.8° |
| C19 | C20 | C15 | 121.5° | 120.0° |
| C20 | C19 | H191 | 119.6° | 120.0° |
| C19 | C20 | H201 | 119.2° | 120.0° |
| N11 | C12 | C13 | 119.9° | 118.4° |
| C12 | N11 | H111 | 118.2° | 123.1° |
| C12 | C13 | C14 | 108.2° | 109.8° |
| C12 | C13 | N21 | 103.7° | 107.7° |
| C12 | C13 | H131 | 109.0° | 109.8° |
| C38 | C37 | C36 | 112.9° | 112.0° |
| C37 | C38 | C39 | 113.1° | 111.2° |
| C38 | C37 | H371 | 107.5° | 109.6° |
| C37 | C38 | H382 | 108.6° | 109.1° |
| C37 | C38 | H381 | 108.6° | 109.1° |
| C37 | C36 | O43 | 122.9° | 119.5° |
| C37 | C36 | N35 | 117.3° | 121.0° |
| C36 | C37 | H371 | 107.3° | 108.9° |
| C20 | C15 | C14 | 121.0° | 120.0° |
| C15 | C20 | H201 | 119.2° | 120.0° |
| C15 | C14 | C13 | 114.0° | 109.4° |
| C15 | C14 | H142 | 108.3° | 109.5° |
| C15 | C14 | H141 | 108.3° | 109.5° |
| C39 | C38 | H382 | 108.5° | 109.2° |
| C39 | C38 | H381 | 108.6° | 109.1° |
| C38 | C39 | H392 | 109.2° | 109.6° |
| C38 | C39 | H391 | 109.2° | 109.6° |
| O43 | C36 | N35 | 119.8° | 119.5° |
| C36 | N35 | C23 | 123.7° | 112.9° |
| C36 | N35 | H351 | 118.2° | 123.6° |
| C14 | C13 | N21 | 115.5° | 109.8° |
| C14 | C13 | H131 | 109.3° | 109.9° |
| C13 | C14 | H142 | 108.3° | 109.5° |
| C13 | C14 | H141 | 108.3° | 109.5° |
| C13 | N21 | C22 | 122.7° | 114.4° |
| N21 | C13 | H131 | 110.9° | 109.9° |
| C13 | N21 | H211 | 118.6° | 122.8° |
| N21 | C22 | O44 | 123.0° | 119.4° |
| N21 | C22 | C23 | 115.3° | 121.2° |
| C22 | N21 | H211 | 118.6° | 122.8° |
| N35 | C23 | C22 | 105.7° | 106.2° |
| N35 | C23 | C24 | 110.0° | 110.1° |
| N35 | C23 | H231 | 109.2° | 110.2° |
| C23 | N35 | H351 | 118.2° | 123.6° |
| O44 | C22 | C23 | 121.7° | 119.4° |
| C22 | C23 | C24 | 114.3° | 110.1° |
| C22 | C23 | H231 | 108.7° | 110.1° |
| C23 | C24 | C25 | 114.0° | 109.5° |
| C24 | C23 | H231 | 108.8° | 110.0° |
| C23 | C24 | H242 | 108.3° | 109.5° |
| C23 | C24 | H241 | 108.3° | 109.5° |
| C24 | C25 | C26 | 111.4° | 109.5° |
| C25 | C24 | H242 | 108.3° | 109.4° |
| C25 | C24 | H241 | 108.3° | 109.5° |
| C24 | C25 | H252 | 109.0° | 109.5° |
| C24 | C25 | H251 | 109.0° | 109.4° |
| C25 | C26 | C27 | 113.5° | 109.5° |
| C26 | C25 | H252 | 109.0° | 109.5° |
| C26 | C25 | H251 | 109.0° | 109.5° |
| C25 | C26 | H262 | 108.5° | 109.4° |
| C25 | C26 | H261 | 108.5° | 109.5° |
| C26 | C27 | C28 | 112.4° | 109.5° |
| C27 | C26 | H262 | 108.5° | 109.5° |
| C27 | C26 | H261 | 108.5° | 109.5° |
| C26 | C27 | H271 | 108.7° | 109.4° |
| C26 | C27 | H272 | 108.7° | 109.5° |
| C27 | C28 | C29 | 114.6° | 109.5° |
| C28 | C27 | H271 | 108.7° | 109.5° |
| C28 | C27 | H272 | 108.7° | 109.5° |
| C27 | C28 | H281 | 108.1° | 109.5° |
| C27 | C28 | H282 | 108.2° | 109.5° |
| C28 | C29 | O30 | 109.2° | 109.5° |
| C28 | C29 | O31 | 111.7° | 109.5° |
| C28 | C29 | C32 | 114.5° | 109.5° |
| C29 | C28 | H281 | 108.2° | 109.5° |
| C29 | C28 | H282 | 108.2° | 109.4° |
| O30 | C29 | O31 | 105.7° | 109.5° |
| O30 | C29 | C32 | 107.7° | 109.5° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| O31 | C29 | C32 | 107.5° | 109.4° |
| C29 | O31 | H311 | 109.5° | 114.0° |
| C29 | C32 | C34 | 123.3° | 117.8° |
| C29 | C32 | O33 | 114.5° | 117.8° |
| C29 | C32 | H321 | 115.2° | 115.7° |
| O33 | C34 | C32 | 59.4° | 57.6° |
| C34 | O33 | C32 | 62.1° | 64.7° |
| O33 | C34 | H341 | 120.1° | 117.8° |
| O33 | C34 | H342 | 120.1° | 117.8° |
| C34 | C32 | O33 | 58.5° | 57.7° |
| C34 | C32 | H321 | 116.1° | 117.8° |
| C32 | C34 | H341 | 120.1° | 117.7° |
| C32 | C34 | H342 | 120.1° | 117.8° |
| O33 | C32 | H321 | 116.9° | 117.8° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 115.8° |
| H382 | C38 | H381 | 109.5° | 109.1° |
| H392 | C39 | H391 | 109.5° | 109.7° |
| H401 | C40 | H402 | 109.5° | 109.6° |
| H412 | C41 | H411 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H091 | 180.0° | 179.3° |
| C09 | C10 | C05 | H101 | 180.0° | 179.3° |
| C10 | C09 | C08 | C07 | 1.2° | 0.3° |
| C09 | C10 | C05 | C04 | 178.0° | 179.7° |
| C09 | C10 | C05 | C06 | 0.5° | 0.6° |
| C10 | C09 | C08 | H081 | 178.8° | 179.8° |
| C08 | C09 | C10 | C05 | 0.6° | 0.6° |
| C09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 1.6° | 0.0° |
| C09 | C08 | C07 | H071 | 178.4° | 180.0° |
| C08 | C09 | C10 | H101 | 179.4° | 180.0° |
| C10 | C05 | C04 | C06 | 178.4° | 179.7° |
| C10 | C05 | C04 | C03 | 83.6° | 90.3° |
| C10 | C05 | C06 | C07 | 0.9° | 0.3° |
| C10 | C05 | C04 | H041 | 37.1° | 149.7° |
| C10 | C05 | C04 | H042 | 155.7° | 29.7° |
| C10 | C05 | C06 | H061 | 179.1° | 179.7° |
| C05 | C10 | C09 | H091 | 179.4° | 180.0° |
| C08 | C07 | C06 | C05 | 1.5° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | H061 | 178.5° | 180.0° |
| C07 | C08 | C09 | H091 | 178.9° | 179.7° |
| O01 | C02 | C03 | C04 | 99.3° | 35.3° |
| O01 | C02 | C03 | N42 | 175.4° | 179.7° |
| O01 | C02 | C03 | N11 | 135.0° | 84.0° |
| O01 | C02 | N42 | C41 | 6.5° | 136.7° |
| O01 | C02 | N42 | C37 | 178.8° | 48.3° |
| O01 | C02 | C03 | H031 | 15.9° | 156.6° |
| C05 | C04 | C03 | H041 | 120.7° | 120.0° |
| C05 | C04 | C03 | H042 | 120.7° | 120.0° |
| C05 | C04 | C03 | C02 | 153.3° | 175.0° |
| C04 | C05 | C06 | C07 | 177.6° | 180.0° |
| C05 | C04 | C03 | N11 | 77.6° | 67.7° |
| C05 | C04 | C03 | H031 | 38.1° | 53.7° |
| C05 | C04 | H041 | H042 | 117.9° | 120.0° |
| C04 | C05 | C06 | H061 | 2.4° | 0.0° |
| C04 | C05 | C10 | H101 | 2.0° | 0.4° |
| C06 | C05 | C04 | C03 | 94.8° | 90.1° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C04 | H041 | 144.5° | 30.0° |
| C06 | C05 | C04 | H042 | 25.8° | 150.0° |
| C05 | C06 | C07 | H071 | 178.5° | 180.0° |
| C06 | C05 | C10 | H101 | 179.5° | 180.0° |
| C04 | C03 | C02 | N11 | 125.7° | 119.3° |
| C04 | C03 | C02 | H031 | 115.3° | 121.3° |
| C04 | C03 | C02 | N42 | 76.1° | 144.4° |
| C04 | C03 | N11 | H031 | 115.0° | 121.4° |
| C04 | C03 | N11 | C12 | 156.3° | 127.6° |
| C03 | C04 | H041 | H042 | 117.9° | 120.0° |
| C04 | C03 | N11 | H111 | 23.7° | 52.4° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 1.6° | 0.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C18 | C17 | C16 | H161 | 178.4° | 180.0° |
| C17 | C18 | C19 | H191 | 179.2° | 180.0° |
| C16 | C17 | C18 | C19 | 1.1° | 0.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 4.3° | 0.0° |
| C17 | C16 | C15 | C14 | 177.2° | 179.8° |
| C16 | C17 | C18 | H181 | 178.9° | 180.0° |
| C02 | C03 | N11 | H031 | 118.5° | 119.4° |
| C03 | C02 | N42 | C41 | 178.2° | 43.0° |
| C03 | C02 | N42 | C37 | 5.9° | 132.0° |
| C02 | C03 | N11 | C12 | 77.3° | 113.2° |
| C02 | C03 | C04 | H041 | 32.6° | 65.0° |
| C02 | C03 | C04 | H042 | 86.0° | 55.0° |
| C02 | C03 | N11 | H111 | 102.7° | 66.9° |
| N42 | C02 | C03 | N11 | 49.6° | 96.3° |
| C02 | N42 | C41 | C37 | 172.6° | 174.8° |
| C02 | N42 | C41 | C40 | 147.4° | 138.5° |
| C02 | N42 | C37 | C38 | 146.9° | 139.9° |
| C02 | N42 | C37 | C36 | 87.7° | 97.4° |
| N42 | C02 | C03 | H031 | 168.7° | 23.1° |
| C02 | N42 | C37 | H371 | 28.9° | 20.4° |
| C02 | N42 | C41 | H412 | 91.9° | 17.7° |
| C02 | N42 | C41 | H411 | 26.7° | 101.4° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 2.1° | 0.0° |
| C19 | C18 | C17 | H171 | 178.9° | 180.0° |
| C18 | C19 | C20 | H201 | 177.9° | 179.8° |
| C06 | C07 | C08 | H081 | 178.4° | 179.9° |
| C03 | N11 | C12 | O45 | 3.8° | 6.5° |
| C03 | N11 | C12 | H111 | 180.0° | 180.0° |
| C03 | N11 | C12 | C13 | 175.8° | 173.5° |
| N11 | C03 | C04 | H041 | 161.8° | 52.3° |
| N11 | C03 | C04 | H042 | 43.1° | 172.4° |
| N42 | C41 | C40 | H412 | 120.7° | 120.6° |
| N42 | C41 | C40 | H411 | 120.7° | 120.2° |
| N42 | C41 | C40 | C39 | 45.4° | 52.8° |
| C41 | N42 | C37 | C38 | 40.9° | 45.0° |
| C41 | N42 | C37 | C36 | 84.5° | 77.7° |
| C41 | N42 | C37 | H371 | 158.9° | 164.5° |
| N42 | C41 | C40 | H401 | 165.7° | 67.0° |
| N42 | C41 | C40 | H402 | 74.9° | 172.7° |
| N42 | C41 | H412 | H411 | 117.7° | 119.1° |
| C40 | C41 | N42 | C37 | 40.0° | 46.7° |
| C41 | C40 | C39 | H401 | 120.3° | 119.9° |
| C41 | C40 | C39 | H402 | 120.3° | 120.0° |
| C41 | C40 | C39 | C38 | 54.4° | 61.5° |
| C41 | C40 | C39 | H392 | 65.8° | 178.8° |
| C41 | C40 | C39 | H391 | 174.6° | 58.3° |
| C41 | C40 | H401 | H402 | 119.1° | 120.4° |
| C40 | C41 | H412 | H411 | 117.7° | 119.1° |
| N42 | C37 | C38 | C36 | 123.4° | 120.5° |
| N42 | C37 | C38 | H371 | 118.5° | 118.5° |
| N42 | C37 | C36 | H371 | 117.3° | 117.1° |
| N42 | C37 | C38 | C39 | 49.2° | 50.6° |
| N42 | C37 | C36 | O43 | 5.5° | 40.7° |
| N42 | C37 | C36 | N35 | 175.1° | 139.3° |
| N42 | C37 | C38 | H382 | 71.4° | 69.9° |
| N42 | C37 | C38 | H381 | 169.7° | 171.0° |
| C37 | N42 | C41 | H412 | 80.7° | 167.5° |
| C37 | N42 | C41 | H411 | 160.8° | 73.4° |
| C40 | C39 | C38 | C37 | 57.5° | 61.6° |
| C40 | C39 | C38 | H392 | 120.1° | 119.7° |
| C40 | C39 | C38 | H391 | 120.2° | 119.9° |
| C40 | C39 | C38 | H382 | 63.0° | 58.9° |
| C40 | C39 | C38 | H381 | 178.1° | 178.0° |
| C40 | C39 | H392 | H391 | 119.5° | 120.5° |
| C39 | C40 | H401 | H402 | 119.1° | 120.2° |
| C39 | C40 | C41 | H412 | 75.3° | 173.5° |
| C39 | C40 | C41 | H411 | 166.1° | 67.4° |
| C16 | C15 | C20 | C19 | 4.6° | 0.1° |
| C16 | C15 | C20 | C14 | 172.9° | 179.8° |
| C16 | C15 | C14 | C13 | 103.0° | 89.7° |
| C16 | C15 | C14 | H142 | 17.6° | 150.3° |
| C16 | C15 | C14 | H141 | 136.3° | 30.2° |
| C15 | C16 | C17 | H171 | 178.4° | 180.0° |
| C16 | C15 | C20 | H201 | 175.4° | 179.8° |
| O45 | C12 | N11 | C13 | 179.6° | 179.9° |
| O45 | C12 | C13 | C14 | 107.1° | 157.9° |
| O45 | C12 | C13 | N21 | 129.8° | 82.6° |
| O45 | C12 | N11 | H111 | 176.2° | 173.5° |
| O45 | C12 | C13 | H131 | 11.6° | 37.0° |
| C19 | C20 | C15 | H201 | 180.0° | 179.7° |
| C19 | C20 | C15 | C14 | 177.6° | 179.7° |
| C20 | C19 | C18 | H181 | 179.2° | 179.9° |
| N11 | C12 | C13 | C14 | 72.5° | 22.2° |
| N11 | C12 | C13 | N21 | 50.6° | 97.3° |
| C12 | N11 | C03 | H031 | 41.2° | 6.2° |
| N11 | C12 | C13 | H131 | 168.8° | 143.1° |
| C12 | C13 | C14 | C15 | 57.4° | 177.6° |
| C12 | C13 | C14 | N21 | 115.7° | 118.2° |
| C12 | C13 | C14 | H131 | 118.6° | 120.8° |
| C12 | C13 | N21 | H131 | 116.9° | 119.5° |
| C12 | C13 | N21 | C22 | 102.6° | 61.6° |
| C13 | C12 | N11 | H111 | 4.2° | 6.6° |
| C12 | C13 | C14 | H142 | 63.2° | 62.4° |
| C12 | C13 | C14 | H141 | 178.1° | 57.7° |
| C12 | C13 | N21 | H211 | 77.4° | 118.4° |
| C38 | C37 | C36 | H371 | 118.2° | 121.4° |
| C37 | C38 | C39 | H382 | 120.5° | 120.4° |
| C37 | C38 | C39 | H381 | 120.6° | 120.4° |
| C38 | C37 | C36 | O43 | 119.0° | 80.8° |
| C38 | C37 | C36 | N35 | 60.4° | 99.2° |
| C37 | C38 | H382 | H381 | 118.4° | 119.1° |
| C37 | C38 | C39 | H392 | 62.6° | 178.7° |
| C37 | C38 | C39 | H391 | 177.7° | 58.3° |
| C36 | C37 | C38 | C39 | 74.2° | 70.0° |
| C37 | C36 | O43 | N35 | 179.4° | 180.0° |
| C37 | C36 | N35 | C23 | 172.1° | 148.7° |
| C37 | C36 | N35 | H351 | 7.9° | 31.3° |
| C36 | C37 | C38 | H382 | 165.3° | 169.6° |
| C36 | C37 | C38 | H381 | 46.4° | 50.5° |
| C20 | C15 | C14 | C13 | 69.6° | 90.0° |
| C20 | C15 | C14 | H142 | 169.8° | 30.0° |
| C20 | C15 | C14 | H141 | 51.1° | 150.0° |
| C20 | C15 | C16 | H161 | 175.7° | 180.0° |
| C15 | C20 | C19 | H191 | 177.9° | 180.0° |
| C15 | C14 | C13 | H142 | 120.7° | 120.0° |
| C15 | C14 | C13 | H141 | 120.7° | 119.9° |
| C15 | C14 | C13 | N21 | 173.1° | 64.2° |
| C15 | C14 | C13 | H131 | 61.2° | 56.8° |
| C15 | C14 | H142 | H141 | 118.0° | 120.0° |
| C14 | C15 | C16 | H161 | 2.8° | 0.2° |
| C14 | C15 | C20 | H201 | 2.4° | 0.0° |
| C39 | C38 | C37 | H371 | 167.7° | 169.1° |
| C39 | C38 | H382 | H381 | 118.3° | 119.2° |
| C38 | C39 | H392 | H391 | 119.5° | 120.4° |
| C38 | C39 | C40 | H401 | 174.7° | 58.4° |
| C38 | C39 | C40 | H402 | 65.9° | 178.6° |
| O43 | C36 | N35 | C23 | 8.5° | 31.3° |
| O43 | C36 | N35 | H351 | 171.5° | 148.7° |
| O43 | C36 | C37 | H371 | 122.8° | 157.8° |
| C36 | N35 | C23 | H351 | 180.0° | 180.0° |
| C36 | N35 | C23 | C22 | 51.0° | 60.8° |
| C36 | N35 | C23 | C24 | 174.8° | 179.9° |
| C36 | N35 | C23 | H231 | 65.8° | 58.4° |
| N35 | C36 | C37 | H371 | 57.8° | 22.2° |
| C14 | C13 | N21 | H131 | 124.9° | 121.0° |
| C14 | C13 | N21 | C22 | 139.2° | 57.9° |
| C13 | C14 | H142 | H141 | 117.9° | 120.0° |
| C14 | C13 | N21 | H211 | 40.8° | 122.1° |
| C13 | N21 | C22 | H211 | 180.0° | 180.0° |
| C13 | N21 | C22 | O44 | 16.3° | 11.7° |
| C13 | N21 | C22 | C23 | 162.9° | 168.4° |
| N21 | C13 | C14 | H142 | 52.4° | 55.7° |
| N21 | C13 | C14 | H141 | 66.3° | 175.8° |
| N21 | C22 | C23 | N35 | 41.5° | 141.1° |
| N21 | C22 | O44 | C23 | 179.2° | 180.0° |
| N21 | C22 | C23 | C24 | 79.6° | 99.7° |
| C22 | N21 | C13 | H131 | 14.3° | 178.8° |
| N21 | C22 | C23 | H231 | 158.6° | 21.8° |
| N35 | C23 | C22 | O44 | 137.7° | 38.9° |
| N35 | C23 | C22 | C24 | 121.1° | 119.2° |
| N35 | C23 | C22 | H231 | 117.1° | 119.3° |
| N35 | C23 | C24 | H231 | 119.5° | 121.7° |
| N35 | C23 | C24 | C25 | 176.1° | 68.2° |
| N35 | C23 | C24 | H242 | 55.4° | 51.8° |
| N35 | C23 | C24 | H241 | 63.3° | 171.8° |
| O44 | C22 | C23 | C24 | 101.2° | 80.2° |
| O44 | C22 | N21 | H211 | 163.7° | 168.3° |
| O44 | C22 | C23 | H231 | 20.6° | 158.2° |
| C22 | C23 | C24 | H231 | 121.7° | 121.5° |
| C22 | C23 | C24 | C25 | 65.2° | 175.0° |
| C23 | C22 | N21 | H211 | 17.1° | 11.6° |
| C22 | C23 | C24 | H242 | 174.1° | 65.0° |
| C22 | C23 | C24 | H241 | 55.5° | 55.0° |
| C22 | C23 | N35 | H351 | 129.0° | 119.1° |
| C23 | C24 | C25 | H242 | 120.7° | 120.0° |
| C23 | C24 | C25 | H241 | 120.7° | 120.0° |
| C23 | C24 | C25 | C26 | 179.0° | 180.0° |
| C23 | C24 | H242 | H241 | 118.0° | 120.0° |
| C23 | C24 | C25 | H252 | 60.7° | 60.0° |
| C23 | C24 | C25 | H251 | 58.7° | 60.0° |
| C24 | C23 | N35 | H351 | 5.2° | 0.1° |
| C24 | C25 | C26 | H252 | 120.3° | 120.0° |
| C24 | C25 | C26 | H251 | 120.3° | 120.0° |
| C24 | C25 | C26 | C27 | 173.2° | 180.0° |
| C25 | C24 | C23 | H231 | 56.5° | 53.4° |
| C25 | C24 | H242 | H241 | 117.9° | 120.0° |
| C24 | C25 | H252 | H251 | 119.1° | 120.0° |
| C24 | C25 | C26 | H262 | 52.6° | 60.0° |
| C24 | C25 | C26 | H261 | 66.2° | 60.0° |
| C25 | C26 | C27 | H262 | 120.6° | 120.0° |
| C25 | C26 | C27 | H261 | 120.6° | 120.1° |
| C25 | C26 | C27 | C28 | 171.0° | 180.0° |
| C26 | C25 | C24 | H242 | 58.3° | 60.0° |
| C26 | C25 | C24 | H241 | 60.3° | 60.0° |
| C26 | C25 | H252 | H251 | 119.1° | 120.0° |
| C25 | C26 | H262 | H261 | 118.2° | 120.0° |
| C25 | C26 | C27 | H271 | 50.6° | 60.0° |
| C25 | C26 | C27 | H272 | 68.6° | 59.9° |
| C26 | C27 | C28 | H271 | 120.4° | 119.9° |
| C26 | C27 | C28 | H272 | 120.4° | 120.0° |
| C26 | C27 | C28 | C29 | 160.3° | 180.0° |
| C27 | C26 | C25 | H252 | 66.5° | 60.0° |
| C27 | C26 | C25 | H251 | 52.9° | 60.0° |
| C27 | C26 | H262 | H261 | 118.2° | 120.0° |
| C26 | C27 | H271 | H272 | 118.7° | 120.0° |
| C26 | C27 | C28 | H281 | 39.5° | 60.0° |
| C26 | C27 | C28 | H282 | 79.0° | 60.0° |
| C27 | C28 | C29 | H281 | 120.7° | 120.0° |
| C27 | C28 | C29 | H282 | 120.8° | 120.0° |
| C27 | C28 | C29 | O30 | 59.4° | 60.0° |
| C27 | C28 | C29 | O31 | 57.3° | 60.0° |
| C27 | C28 | C29 | C32 | 179.8° | 180.0° |
| C28 | C27 | C26 | H262 | 68.4° | 60.0° |
| C28 | C27 | C26 | H261 | 50.4° | 59.9° |
| C28 | C27 | H271 | H272 | 118.7° | 120.0° |
| C27 | C28 | H281 | H282 | 117.6° | 120.0° |
| C28 | C29 | O30 | O31 | 120.3° | 120.0° |
| C28 | C29 | O30 | C32 | 124.9° | 120.0° |
| C28 | C29 | O31 | C32 | 126.4° | 120.0° |
| C28 | C29 | C32 | C34 | 19.9° | 173.6° |
| C28 | C29 | C32 | O33 | 47.4° | 107.5° |
| C29 | C28 | C27 | H271 | 79.3° | 60.0° |
| C29 | C28 | C27 | H272 | 39.8° | 60.0° |
| C29 | C28 | H281 | H282 | 117.7° | 120.0° |
| C28 | C29 | O30 | H301 | 180.0° | 60.0° |
| C28 | C29 | O31 | H311 | 180.0° | 60.0° |
| C28 | C29 | C32 | H321 | 172.9° | 39.4° |
| O30 | C29 | O31 | C32 | 114.9° | 120.0° |
| O30 | C29 | C32 | C34 | 101.8° | 53.6° |
| O30 | C29 | C32 | O33 | 169.1° | 12.5° |
| O30 | C29 | C28 | H281 | 179.9° | 180.0° |
| O30 | C29 | C28 | H282 | 61.4° | 60.0° |
| O30 | C29 | O31 | H311 | 61.3° | 180.0° |
| O30 | C29 | C32 | H321 | 51.2° | 159.4° |
| O31 | C29 | C32 | C34 | 144.7° | 66.3° |
| O31 | C29 | C32 | O33 | 77.4° | 132.5° |
| O31 | C29 | C28 | H281 | 63.5° | 60.0° |
| O31 | C29 | C28 | H282 | 178.0° | 180.0° |
| O31 | C29 | O30 | H301 | 59.6° | 180.0° |
| O31 | C29 | C32 | H321 | 62.4° | 80.6° |
| C29 | C32 | O33 | C34 | 115.4° | 106.9° |
| C29 | C32 | C34 | H321 | 152.8° | 146.3° |
| C29 | C32 | O33 | H321 | 139.0° | 146.2° |
| C32 | C29 | C28 | H281 | 59.1° | 60.0° |
| C32 | C29 | C28 | H282 | 59.4° | 60.0° |
| C32 | C29 | O30 | H301 | 55.1° | 60.0° |
| C32 | C29 | O31 | H311 | 53.6° | 60.1° |
| C29 | C32 | C34 | H341 | 150.3° | 0.0° |
| C29 | C32 | C34 | H342 | 8.9° | 146.3° |
| O33 | C34 | C32 | H341 | 109.3° | 106.9° |
| O33 | C34 | C32 | H342 | 109.3° | 106.8° |
| O33 | C34 | C32 | H321 | 106.8° | 106.9° |
| O33 | C34 | H341 | H342 | 145.0° | 147.0° |
| C32 | C34 | H341 | H342 | 145.1° | 147.0° |
| H031 | C03 | C04 | H041 | 82.6° | 173.7° |
| H031 | C03 | C04 | H042 | 158.7° | 66.3° |
| H031 | C03 | N11 | H111 | 138.7° | 173.8° |
| H061 | C06 | C07 | H071 | 1.5° | 0.0° |
| H071 | C07 | C08 | H081 | 1.6° | 0.1° |
| H081 | C08 | C09 | H091 | 1.1° | 0.4° |
| H091 | C09 | C10 | H101 | 0.6° | 0.7° |
| H131 | C13 | C14 | H142 | 178.2° | 176.7° |
| H131 | C13 | C14 | H141 | 59.5° | 63.2° |
| H131 | C13 | N21 | H211 | 165.7° | 1.2° |
| H161 | C16 | C17 | H171 | 1.6° | 0.0° |
| H171 | C17 | C18 | H181 | 1.1° | 0.1° |
| H181 | C18 | C19 | H191 | 0.8° | 0.1° |
| H191 | C19 | C20 | H201 | 2.1° | 0.3° |
| H231 | C23 | C24 | H242 | 64.1° | 173.4° |
| H231 | C23 | C24 | H241 | 177.2° | 66.6° |
| H231 | C23 | N35 | H351 | 114.2° | 121.6° |
| H242 | C24 | C25 | H252 | 178.6° | 180.0° |
| H242 | C24 | C25 | H251 | 62.0° | 60.0° |
| H241 | C24 | C25 | H252 | 60.0° | 60.0° |
| H241 | C24 | C25 | H251 | 179.4° | 180.0° |
| H252 | C25 | C26 | H262 | 172.9° | 180.0° |
| H252 | C25 | C26 | H261 | 54.1° | 60.0° |
| H251 | C25 | C26 | H262 | 67.7° | 60.0° |
| H251 | C25 | C26 | H261 | 173.5° | 180.0° |
| H262 | C26 | C27 | H271 | 171.2° | 180.0° |
| H262 | C26 | C27 | H272 | 52.0° | 60.0° |
| H261 | C26 | C27 | H271 | 70.0° | 60.1° |
| H261 | C26 | C27 | H272 | 170.8° | 180.0° |
| H271 | C27 | C28 | H281 | 159.9° | 180.0° |
| H271 | C27 | C28 | H282 | 41.5° | 59.9° |
| H272 | C27 | C28 | H281 | 80.9° | 60.0° |
| H272 | C27 | C28 | H282 | 160.6° | 180.0° |
| H321 | C32 | C34 | H341 | 2.4° | 146.3° |
| H321 | C32 | C34 | H342 | 143.9° | 0.0° |
| H371 | C37 | C38 | H382 | 47.2° | 48.6° |
| H371 | C37 | C38 | H381 | 71.7° | 70.5° |
| H382 | C38 | C39 | H392 | 176.8° | 60.9° |
| H382 | C38 | C39 | H391 | 57.1° | 178.7° |
| H381 | C38 | C39 | H392 | 57.9° | 58.3° |
| H381 | C38 | C39 | H391 | 61.8° | 62.1° |
| H392 | C39 | C40 | H401 | 54.5° | 61.4° |
| H392 | C39 | C40 | H402 | 173.9° | 58.8° |
| H391 | C39 | C40 | H401 | 65.1° | 178.1° |
| H391 | C39 | C40 | H402 | 54.3° | 61.7° |
| H401 | C40 | C41 | H412 | 45.0° | 53.6° |
| H401 | C40 | C41 | H411 | 73.6° | 172.7° |
| H402 | C40 | C41 | H412 | 164.4° | 66.7° |
| H402 | C40 | C41 | H411 | 45.8° | 52.4° |
