A1A3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | N08 | sing | 1.47Å | 1.43Å | |
| N08 | C07 | sing | 1.47Å | 1.50Å | |
| N08 | C10 | sing | 1.47Å | 1.50Å | |
| C07 | C06 | sing | 1.53Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.60Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C11 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.57Å | |
| C04 | N03 | sing | 1.47Å | 1.49Å | |
| N03 | C02 | sing | 1.35Å | 1.42Å | |
| O01 | C02 | doub | 1.22Å | 1.24Å | |
| C02 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C40 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.54Å | 1.54Å | |
| C19 | C18 | sing | 1.54Å | 1.59Å | |
| C16 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | N17 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C25 | sing | 1.54Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C15 | N39 | sing | 1.35Å | 1.42Å | Aromatic |
| N22 | C21 | sing | 1.35Å | 1.39Å | |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C25 | C18 | sing | 1.54Å | 1.58Å | |
| N17 | C18 | sing | 1.47Å | 1.45Å | |
| N17 | C26 | sing | 1.37Å | 1.43Å | Aromatic |
| C21 | O24 | doub | 1.21Å | 1.22Å | |
| N39 | C26 | doub | 1.31Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.50Å | |
| C27 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | O30 | sing | 1.43Å | 1.42Å | |
| C38 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | O30 | sing | 1.36Å | 1.39Å | |
| C29 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | O36 | sing | 1.36Å | 1.36Å | |
| C32 | O33 | sing | 1.36Å | 1.36Å | |
| C37 | O36 | sing | 1.43Å | 1.35Å | |
| O33 | C34 | sing | 1.43Å | 1.42Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | 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 | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N08 | C07 | 107.1° | 111.0° |
| C09 | N08 | C10 | 105.2° | 111.0° |
| N08 | C09 | H093 | 109.5° | 109.5° |
| N08 | C09 | H092 | 109.5° | 109.5° |
| N08 | C09 | H091 | 109.5° | 109.4° |
| C07 | N08 | C10 | 107.9° | 111.3° |
| N08 | C07 | C06 | 109.3° | 109.5° |
| N08 | C07 | H071 | 109.5° | 109.5° |
| N08 | C07 | H072 | 109.5° | 109.5° |
| N08 | C10 | C11 | 112.4° | 109.5° |
| N08 | C10 | H101 | 108.8° | 109.5° |
| N08 | C10 | H102 | 108.8° | 109.5° |
| C07 | C06 | C05 | 112.3° | 109.3° |
| C07 | C06 | H061 | 108.8° | 109.5° |
| C07 | C06 | H062 | 108.8° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.4° |
| C10 | C11 | C05 | 112.6° | 109.3° |
| C10 | C11 | H112 | 108.7° | 109.5° |
| C10 | C11 | H111 | 108.7° | 109.5° |
| C11 | C10 | H101 | 108.7° | 109.4° |
| C11 | C10 | H102 | 108.7° | 109.5° |
| C06 | C05 | C11 | 109.2° | 109.2° |
| C06 | C05 | C04 | 112.9° | 109.5° |
| C06 | C05 | H051 | 108.9° | 109.6° |
| C05 | C06 | H061 | 108.7° | 109.5° |
| C05 | C06 | H062 | 108.7° | 109.5° |
| C11 | C05 | C04 | 108.1° | 109.5° |
| C05 | C11 | H112 | 108.7° | 109.5° |
| C05 | C11 | H111 | 108.7° | 109.5° |
| C11 | C05 | H051 | 109.1° | 109.5° |
| C05 | C04 | N03 | 115.1° | 109.4° |
| C05 | C04 | H041 | 108.1° | 109.5° |
| C05 | C04 | H042 | 108.1° | 109.5° |
| C04 | C05 | H051 | 108.5° | 109.5° |
| C04 | N03 | C02 | 126.5° | 120.0° |
| N03 | C04 | H041 | 108.1° | 109.4° |
| N03 | C04 | H042 | 108.1° | 109.5° |
| C04 | N03 | H031 | 116.7° | 120.0° |
| N03 | C02 | O01 | 119.2° | 120.0° |
| N03 | C02 | C12 | 124.5° | 120.0° |
| C02 | N03 | H031 | 116.8° | 120.0° |
| O01 | C02 | C12 | 115.8° | 120.0° |
| C02 | C12 | C13 | 124.9° | 119.9° |
| C02 | C12 | C40 | 118.1° | 120.0° |
| C13 | C12 | C40 | 116.8° | 120.2° |
| C12 | C13 | C14 | 122.3° | 120.5° |
| C12 | C13 | H131 | 118.8° | 119.8° |
| C12 | C40 | C16 | 122.6° | 119.6° |
| C12 | C40 | H401 | 118.7° | 120.2° |
| C13 | C14 | C15 | 120.9° | 120.1° |
| C13 | C14 | H141 | 119.6° | 119.9° |
| C14 | C13 | H131 | 118.8° | 119.7° |
| C40 | C16 | C15 | 119.2° | 120.0° |
| C40 | C16 | N17 | 136.0° | 133.8° |
| C16 | C40 | H401 | 118.7° | 120.2° |
| C14 | C15 | C16 | 118.1° | 119.6° |
| C14 | C15 | N39 | 131.4° | 133.2° |
| C15 | C14 | H141 | 119.5° | 120.0° |
| C20 | C19 | C18 | 88.7° | 87.1° |
| C19 | C20 | C25 | 87.3° | 87.1° |
| C19 | C20 | C21 | 108.9° | 113.6° |
| C20 | C19 | H191 | 114.4° | 113.6° |
| C20 | C19 | H192 | 114.4° | 113.6° |
| C19 | C20 | H201 | 112.5° | 113.6° |
| C19 | C18 | C25 | 84.2° | 87.1° |
| C19 | C18 | N17 | 117.5° | 113.7° |
| C19 | C18 | H181 | 110.1° | 113.7° |
| C18 | C19 | H191 | 114.4° | 113.6° |
| C18 | C19 | H192 | 114.4° | 113.6° |
| C15 | C16 | N17 | 104.8° | 106.2° |
| C16 | C15 | N39 | 110.5° | 107.2° |
| C16 | N17 | C18 | 128.3° | 126.5° |
| C16 | N17 | C26 | 108.1° | 107.0° |
| C25 | C20 | C21 | 120.1° | 113.6° |
| C20 | C25 | C18 | 89.1° | 87.1° |
| C20 | C25 | H251 | 114.3° | 113.6° |
| C20 | C25 | H252 | 114.3° | 113.7° |
| C25 | C20 | H201 | 112.4° | 113.6° |
| C20 | C21 | N22 | 119.4° | 120.0° |
| C20 | C21 | O24 | 121.8° | 120.0° |
| C21 | C20 | H201 | 112.9° | 112.8° |
| C15 | N39 | C26 | 106.5° | 109.9° |
| C21 | N22 | C23 | 120.2° | 120.0° |
| N22 | C21 | O24 | 118.7° | 120.0° |
| C21 | N22 | H221 | 119.9° | 120.0° |
| N22 | C23 | H231 | 109.5° | 109.5° |
| N22 | C23 | H233 | 109.5° | 109.5° |
| N22 | C23 | H232 | 109.5° | 109.4° |
| C23 | N22 | H221 | 119.9° | 120.0° |
| C25 | C18 | N17 | 119.6° | 113.6° |
| C18 | C25 | H251 | 114.3° | 113.6° |
| C18 | C25 | H252 | 114.3° | 113.6° |
| C25 | C18 | H181 | 110.3° | 113.7° |
| C18 | N17 | C26 | 123.5° | 126.5° |
| N17 | C18 | H181 | 112.2° | 112.8° |
| N17 | C26 | N39 | 110.0° | 109.7° |
| N17 | C26 | C27 | 126.6° | 125.1° |
| N39 | C26 | C27 | 123.0° | 125.2° |
| C26 | C27 | C28 | 123.4° | 120.0° |
| C26 | C27 | C38 | 120.7° | 120.1° |
| C28 | C27 | C38 | 115.4° | 119.9° |
| C27 | C28 | C29 | 123.1° | 119.9° |
| C27 | C28 | H281 | 118.5° | 120.0° |
| C27 | C38 | C35 | 121.9° | 119.9° |
| C27 | C38 | H381 | 119.0° | 120.0° |
| C28 | C29 | O30 | 120.4° | 119.9° |
| C28 | C29 | C32 | 121.1° | 120.1° |
| C29 | C28 | H281 | 118.5° | 120.1° |
| C31 | O30 | C29 | 116.9° | 117.0° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C31 | H313 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.5° |
| C38 | C35 | C32 | 121.4° | 120.1° |
| C38 | C35 | O36 | 122.3° | 119.9° |
| C35 | C38 | H381 | 119.1° | 120.1° |
| O30 | C29 | C32 | 118.3° | 119.9° |
| C29 | C32 | C35 | 116.8° | 120.1° |
| C29 | C32 | O33 | 119.4° | 120.0° |
| C32 | C35 | O36 | 116.1° | 120.0° |
| C35 | C32 | O33 | 123.6° | 119.9° |
| C35 | O36 | C37 | 116.6° | 117.0° |
| C32 | O33 | C34 | 114.3° | 117.0° |
| O36 | C37 | H372 | 109.5° | 109.4° |
| O36 | C37 | H371 | 109.4° | 109.5° |
| O36 | C37 | H373 | 109.5° | 109.5° |
| O33 | C34 | H341 | 109.5° | 109.5° |
| O33 | C34 | H342 | 109.4° | 109.4° |
| O33 | C34 | H343 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 112.9° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H093 | C09 | H092 | 109.5° | 109.5° |
| H093 | C09 | H091 | 109.4° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 112.9° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.4° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.4° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.4° | 109.4° |
| H371 | C37 | H373 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N08 | C07 | C10 | 112.8° | 124.2° |
| C09 | N08 | C07 | C06 | 177.1° | 62.4° |
| C09 | N08 | C10 | C11 | 131.8° | 62.4° |
| C09 | N08 | C07 | H071 | 57.2° | 57.6° |
| C09 | N08 | C07 | H072 | 62.9° | 177.6° |
| N08 | C09 | H093 | H092 | 120.0° | 120.0° |
| N08 | C09 | H093 | H091 | 120.0° | 120.0° |
| N08 | C09 | H092 | H091 | 120.0° | 120.0° |
| C09 | N08 | C10 | H101 | 11.4° | 177.6° |
| C09 | N08 | C10 | H102 | 107.8° | 57.6° |
| N08 | C07 | C06 | H071 | 120.0° | 120.1° |
| N08 | C07 | C06 | H072 | 120.0° | 120.0° |
| C07 | N08 | C10 | C11 | 17.7° | 61.7° |
| N08 | C07 | C06 | C05 | 60.4° | 59.1° |
| N08 | C07 | C06 | H061 | 60.0° | 60.8° |
| N08 | C07 | C06 | H062 | 179.2° | 179.1° |
| N08 | C07 | H071 | H072 | 120.0° | 120.0° |
| C07 | N08 | C09 | H093 | 180.0° | 59.9° |
| C07 | N08 | C09 | H092 | 60.0° | 180.0° |
| C07 | N08 | C09 | H091 | 60.0° | 60.1° |
| C07 | N08 | C10 | H101 | 102.7° | 58.2° |
| C07 | N08 | C10 | H102 | 138.1° | 178.3° |
| C10 | N08 | C07 | C06 | 70.1° | 61.7° |
| N08 | C10 | C11 | H101 | 120.5° | 120.0° |
| N08 | C10 | C11 | H102 | 120.4° | 120.0° |
| N08 | C10 | C11 | C05 | 41.3° | 59.2° |
| N08 | C10 | C11 | H112 | 79.2° | 179.1° |
| N08 | C10 | C11 | H111 | 161.8° | 60.8° |
| C10 | N08 | C07 | H071 | 169.9° | 178.3° |
| C10 | N08 | C07 | H072 | 49.9° | 58.2° |
| C10 | N08 | C09 | H093 | 65.4° | 175.8° |
| C10 | N08 | C09 | H092 | 54.7° | 55.7° |
| C10 | N08 | C09 | H091 | 174.7° | 64.2° |
| N08 | C10 | H101 | H102 | 118.7° | 120.0° |
| C07 | C06 | C05 | H061 | 120.4° | 119.9° |
| C07 | C06 | C05 | H062 | 120.4° | 120.0° |
| C07 | C06 | C05 | C11 | 1.5° | 57.7° |
| C07 | C06 | C05 | C04 | 121.8° | 177.5° |
| C07 | C06 | C05 | H051 | 117.6° | 62.3° |
| C07 | C06 | H061 | H062 | 118.7° | 120.1° |
| C06 | C07 | H071 | H072 | 120.1° | 119.9° |
| C10 | C11 | C05 | C06 | 50.7° | 57.7° |
| C10 | C11 | C05 | H112 | 120.4° | 119.9° |
| C10 | C11 | C05 | H111 | 120.5° | 120.0° |
| C10 | C11 | C05 | C04 | 173.9° | 177.6° |
| C10 | C11 | H112 | H111 | 118.6° | 120.1° |
| C10 | C11 | C05 | H051 | 68.2° | 62.3° |
| C11 | C10 | H101 | H102 | 118.7° | 120.0° |
| C06 | C05 | C11 | C04 | 123.2° | 119.9° |
| C06 | C05 | C11 | H051 | 118.9° | 120.0° |
| C06 | C05 | C04 | H051 | 120.8° | 120.2° |
| C06 | C05 | C04 | N03 | 179.2° | 65.3° |
| C06 | C05 | C11 | H112 | 69.7° | 177.6° |
| C06 | C05 | C11 | H111 | 171.2° | 62.3° |
| C06 | C05 | C04 | H041 | 60.0° | 54.6° |
| C06 | C05 | C04 | H042 | 58.3° | 174.7° |
| C05 | C06 | H061 | H062 | 118.7° | 120.1° |
| C05 | C06 | C07 | H071 | 179.7° | 179.2° |
| C05 | C06 | C07 | H072 | 59.6° | 60.9° |
| C11 | C05 | C04 | H051 | 118.2° | 120.1° |
| C11 | C05 | C04 | N03 | 58.2° | 175.0° |
| C05 | C11 | H112 | H111 | 118.6° | 120.1° |
| C11 | C05 | C04 | H041 | 179.1° | 65.1° |
| C11 | C05 | C04 | H042 | 62.6° | 55.0° |
| C11 | C05 | C06 | H061 | 121.9° | 62.2° |
| C11 | C05 | C06 | H062 | 119.0° | 177.7° |
| C05 | C11 | C10 | H101 | 161.8° | 60.8° |
| C05 | C11 | C10 | H102 | 79.1° | 179.1° |
| C05 | C04 | N03 | H041 | 120.9° | 120.0° |
| C05 | C04 | N03 | H042 | 120.8° | 120.1° |
| C05 | C04 | N03 | C02 | 94.0° | 180.0° |
| C04 | C05 | C11 | H112 | 53.5° | 62.5° |
| C04 | C05 | C11 | H111 | 65.6° | 57.6° |
| C05 | C04 | H041 | H042 | 117.4° | 120.1° |
| C04 | C05 | C06 | H061 | 117.8° | 57.6° |
| C04 | C05 | C06 | H062 | 1.3° | 62.5° |
| C05 | C04 | N03 | H031 | 86.0° | 0.1° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 4.6° | 0.1° |
| C04 | N03 | C02 | C12 | 175.9° | 180.0° |
| N03 | C04 | H041 | H042 | 117.4° | 120.0° |
| N03 | C04 | C05 | H051 | 60.0° | 54.9° |
| N03 | C02 | O01 | C12 | 172.1° | 179.9° |
| N03 | C02 | C12 | C13 | 30.7° | 0.0° |
| N03 | C02 | C12 | C40 | 144.9° | 179.9° |
| C02 | N03 | C04 | H041 | 145.1° | 60.1° |
| C02 | N03 | C04 | H042 | 26.8° | 59.9° |
| O01 | C02 | C12 | C13 | 157.7° | 180.0° |
| O01 | C02 | C12 | C40 | 26.7° | 0.0° |
| O01 | C02 | N03 | H031 | 175.4° | 180.0° |
| C02 | C12 | C13 | C40 | 175.7° | 180.0° |
| C02 | C12 | C13 | C14 | 178.3° | 180.0° |
| C02 | C12 | C40 | C16 | 177.3° | 180.0° |
| C02 | C12 | C13 | H131 | 1.7° | 0.1° |
| C02 | C12 | C40 | H401 | 2.7° | 0.0° |
| C12 | C02 | N03 | H031 | 4.1° | 0.1° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C13 | C12 | C40 | C16 | 1.3° | 0.0° |
| C12 | C13 | C14 | C15 | 2.9° | 0.0° |
| C12 | C13 | C14 | H141 | 177.0° | 179.9° |
| C13 | C12 | C40 | H401 | 178.7° | 180.0° |
| C40 | C12 | C13 | C14 | 2.6° | 0.0° |
| C12 | C40 | C16 | H401 | 180.0° | 180.0° |
| C12 | C40 | C16 | C15 | 0.3° | 0.0° |
| C12 | C40 | C16 | N17 | 179.5° | 179.9° |
| C40 | C12 | C13 | H131 | 177.4° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.8° | 0.1° |
| C13 | C14 | C15 | N39 | 178.2° | 180.0° |
| C40 | C16 | C15 | C14 | 0.5° | 0.1° |
| C40 | C16 | C15 | N17 | 179.4° | 179.9° |
| C40 | C16 | C15 | N39 | 179.5° | 180.0° |
| C40 | C16 | N17 | C18 | 1.6° | 0.2° |
| C40 | C16 | N17 | C26 | 178.5° | 179.8° |
| C14 | C15 | C16 | N39 | 180.0° | 179.9° |
| C14 | C15 | C16 | N17 | 179.9° | 180.0° |
| C14 | C15 | N39 | C26 | 177.8° | 179.9° |
| C15 | C14 | C13 | H131 | 177.1° | 179.9° |
| C20 | C19 | C18 | H191 | 116.3° | 114.5° |
| C20 | C19 | C18 | H192 | 116.3° | 114.6° |
| C19 | C20 | C25 | C21 | 110.3° | 114.6° |
| C19 | C20 | C25 | H201 | 113.2° | 114.6° |
| C19 | C20 | C21 | H201 | 125.7° | 131.3° |
| C19 | C20 | C21 | N22 | 83.3° | 180.0° |
| C20 | C19 | C18 | C25 | 24.2° | 25.5° |
| C20 | C19 | C18 | N17 | 144.6° | 140.0° |
| C19 | C20 | C21 | O24 | 93.5° | 0.0° |
| C19 | C20 | C25 | H251 | 91.5° | 140.0° |
| C19 | C20 | C25 | H252 | 141.3° | 89.1° |
| C20 | C19 | C18 | H181 | 85.4° | 89.1° |
| C20 | C19 | H191 | H192 | 129.9° | 131.3° |
| C19 | C18 | N17 | C16 | 50.3° | 135.2° |
| C18 | C19 | C20 | C21 | 96.3° | 89.1° |
| C19 | C18 | C25 | N17 | 118.4° | 114.6° |
| C19 | C18 | C25 | H181 | 109.3° | 114.6° |
| C19 | C18 | N17 | H181 | 129.1° | 131.3° |
| C19 | C18 | N17 | C26 | 126.1° | 44.7° |
| C19 | C18 | C25 | H251 | 92.2° | 140.0° |
| C19 | C18 | C25 | H252 | 140.4° | 89.2° |
| C18 | C19 | H191 | H192 | 129.9° | 131.2° |
| C18 | C19 | C20 | H201 | 137.8° | 140.0° |
| C15 | C16 | N17 | C18 | 179.2° | 179.8° |
| C15 | C16 | N17 | C26 | 2.3° | 0.1° |
| C16 | C15 | N39 | C26 | 2.3° | 0.2° |
| C16 | C15 | C14 | H141 | 178.2° | 180.0° |
| C15 | C16 | C40 | H401 | 179.7° | 179.9° |
| N17 | C16 | C15 | N39 | 0.1° | 0.0° |
| C16 | N17 | C18 | C25 | 49.1° | 127.3° |
| C16 | N17 | C18 | C26 | 176.4° | 179.9° |
| C16 | N17 | C26 | N39 | 3.9° | 0.2° |
| C16 | N17 | C26 | C27 | 176.9° | 180.0° |
| C16 | N17 | C18 | H181 | 179.4° | 3.9° |
| N17 | C16 | C40 | H401 | 0.6° | 0.0° |
| C25 | C20 | C21 | H201 | 136.3° | 131.2° |
| C25 | C20 | C21 | N22 | 178.6° | 82.4° |
| C20 | C25 | C18 | H251 | 116.3° | 114.6° |
| C20 | C25 | C18 | H252 | 116.3° | 114.6° |
| C20 | C25 | C18 | N17 | 142.5° | 140.0° |
| C25 | C20 | C21 | O24 | 4.6° | 97.6° |
| C20 | C25 | H251 | H252 | 129.7° | 131.3° |
| C20 | C25 | C18 | H181 | 85.2° | 89.1° |
| C25 | C20 | C19 | H191 | 141.0° | 89.1° |
| C25 | C20 | C19 | H192 | 91.6° | 140.0° |
| C20 | C21 | N22 | O24 | 176.9° | 180.0° |
| C20 | C21 | N22 | C23 | 179.1° | 180.0° |
| C21 | C20 | C25 | C18 | 85.4° | 89.1° |
| C21 | C20 | C25 | H251 | 158.2° | 25.4° |
| C21 | C20 | C25 | H252 | 31.0° | 156.3° |
| C21 | C20 | C19 | H191 | 20.0° | 156.4° |
| C21 | C20 | C19 | H192 | 147.4° | 25.4° |
| C20 | C21 | N22 | H221 | 0.9° | 0.0° |
| C15 | N39 | C26 | N17 | 3.7° | 0.2° |
| C15 | N39 | C26 | C27 | 177.0° | 180.0° |
| N39 | C15 | C14 | H141 | 1.8° | 0.1° |
| C21 | N22 | C23 | H221 | 180.0° | 179.9° |
| C21 | N22 | C23 | H231 | 180.0° | 180.0° |
| C21 | N22 | C23 | H233 | 60.0° | 59.9° |
| C21 | N22 | C23 | H232 | 60.0° | 60.0° |
| N22 | C21 | C20 | H201 | 42.4° | 48.7° |
| C23 | N22 | C21 | O24 | 2.2° | 0.0° |
| N22 | C23 | H231 | H233 | 120.0° | 120.1° |
| N22 | C23 | H231 | H232 | 120.0° | 120.0° |
| N22 | C23 | H233 | H232 | 120.0° | 119.9° |
| C25 | C18 | N17 | H181 | 131.5° | 131.2° |
| C25 | C18 | N17 | C26 | 134.5° | 52.8° |
| C18 | C25 | H251 | H252 | 129.7° | 131.2° |
| C25 | C18 | C19 | H191 | 140.5° | 89.1° |
| C25 | C18 | C19 | H192 | 92.1° | 140.0° |
| C18 | C25 | C20 | H201 | 138.1° | 140.1° |
| C18 | N17 | C26 | N39 | 179.1° | 179.7° |
| C18 | N17 | C26 | C27 | 6.1° | 0.1° |
| N17 | C18 | C25 | H251 | 26.1° | 105.4° |
| N17 | C18 | C25 | H252 | 101.2° | 25.4° |
| N17 | C18 | C19 | H191 | 99.1° | 25.4° |
| N17 | C18 | C19 | H192 | 28.3° | 105.5° |
| N17 | C26 | N39 | C27 | 173.3° | 179.8° |
| N17 | C26 | C27 | C28 | 47.5° | 99.2° |
| N17 | C26 | C27 | C38 | 124.5° | 80.9° |
| C26 | N17 | C18 | H181 | 3.0° | 176.0° |
| O24 | C21 | C20 | H201 | 140.8° | 131.3° |
| O24 | C21 | N22 | H221 | 177.8° | 180.0° |
| N39 | C26 | C27 | C28 | 140.3° | 80.6° |
| N39 | C26 | C27 | C38 | 47.6° | 99.3° |
| C26 | C27 | C28 | C38 | 172.4° | 179.9° |
| C26 | C27 | C28 | C29 | 176.4° | 180.0° |
| C26 | C27 | C38 | C35 | 176.8° | 179.5° |
| C26 | C27 | C28 | H281 | 3.6° | 0.2° |
| C26 | C27 | C38 | H381 | 3.2° | 0.1° |
| C27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C28 | C27 | C38 | C35 | 4.2° | 0.6° |
| C27 | C28 | C29 | O30 | 179.7° | 179.8° |
| C27 | C28 | C29 | C32 | 4.0° | 0.3° |
| C28 | C27 | C38 | H381 | 175.9° | 180.0° |
| C38 | C27 | C28 | C29 | 4.0° | 0.0° |
| C27 | C38 | C35 | H381 | 180.0° | 179.4° |
| C27 | C38 | C35 | C32 | 4.4° | 0.8° |
| C27 | C38 | C35 | O36 | 179.6° | 179.8° |
| C38 | C27 | C28 | H281 | 176.0° | 179.7° |
| C28 | C29 | O30 | C31 | 10.0° | 0.0° |
| C28 | C29 | O30 | C32 | 175.8° | 180.0° |
| C28 | C29 | C32 | C35 | 3.8° | 0.0° |
| C28 | C29 | C32 | O33 | 178.9° | 180.0° |
| C31 | O30 | C29 | C32 | 174.2° | 180.0° |
| O30 | C31 | H311 | H313 | 120.0° | 120.0° |
| O30 | C31 | H311 | H312 | 120.0° | 120.0° |
| O30 | C31 | H313 | H312 | 120.0° | 120.0° |
| C38 | C35 | C32 | C29 | 4.0° | 0.5° |
| C38 | C35 | C32 | O36 | 175.5° | 179.4° |
| C38 | C35 | C32 | O33 | 178.9° | 179.5° |
| C38 | C35 | O36 | C37 | 7.3° | 67.9° |
| O30 | C29 | C32 | C35 | 179.5° | 180.0° |
| O30 | C29 | C32 | O33 | 5.4° | 0.0° |
| O30 | C29 | C28 | H281 | 0.3° | 0.0° |
| C29 | O30 | C31 | H311 | 180.0° | 60.0° |
| C29 | O30 | C31 | H313 | 60.0° | 179.9° |
| C29 | O30 | C31 | H312 | 60.0° | 60.0° |
| C29 | C32 | C35 | O33 | 174.9° | 180.0° |
| C29 | C32 | C35 | O36 | 179.5° | 180.0° |
| C29 | C32 | O33 | C34 | 104.9° | 90.0° |
| C32 | C29 | C28 | H281 | 176.0° | 180.0° |
| C32 | C35 | O36 | C37 | 177.2° | 112.7° |
| C35 | C32 | O33 | C34 | 69.8° | 90.0° |
| C32 | C35 | C38 | H381 | 175.6° | 179.8° |
| O36 | C35 | C32 | O33 | 5.7° | 0.0° |
| C35 | O36 | C37 | H372 | 180.0° | 158.3° |
| C35 | O36 | C37 | H371 | 60.0° | 38.3° |
| C35 | O36 | C37 | H373 | 60.0° | 81.8° |
| O36 | C35 | C38 | H381 | 0.4° | 0.3° |
| C32 | O33 | C34 | H341 | 180.0° | 180.0° |
| C32 | O33 | C34 | H342 | 60.0° | 60.0° |
| C32 | O33 | C34 | H343 | 60.0° | 60.0° |
| O36 | C37 | H372 | H371 | 120.0° | 120.0° |
| O36 | C37 | H372 | H373 | 120.0° | 119.9° |
| O36 | C37 | H371 | H373 | 120.0° | 120.0° |
| O33 | C34 | H341 | H342 | 120.0° | 120.0° |
| O33 | C34 | H341 | H343 | 120.0° | 120.1° |
| O33 | C34 | H342 | H343 | 120.0° | 120.0° |
| H251 | C25 | C18 | H181 | 158.4° | 25.4° |
| H251 | C25 | C20 | H201 | 21.7° | 105.4° |
| H252 | C25 | C18 | H181 | 31.1° | 156.2° |
| H252 | C25 | C20 | H201 | 105.5° | 25.5° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
| H231 | C23 | N22 | H221 | 0.0° | 0.1° |
| H233 | C23 | N22 | H221 | 120.0° | 120.0° |
| H232 | C23 | N22 | H221 | 120.0° | 120.1° |
| H181 | C18 | C19 | H191 | 30.9° | 156.3° |
| H181 | C18 | C19 | H192 | 158.3° | 25.4° |
| H141 | C14 | C13 | H131 | 2.9° | 0.0° |
| H112 | C11 | C05 | H051 | 171.3° | 57.6° |
| H112 | C11 | C10 | H101 | 41.3° | 59.1° |
| H112 | C11 | C10 | H102 | 160.4° | 60.9° |
| H111 | C11 | C05 | H051 | 52.3° | 177.7° |
| H111 | C11 | C10 | H101 | 77.8° | 179.2° |
| H111 | C11 | C10 | H102 | 41.3° | 59.2° |
| H041 | C04 | C05 | H051 | 60.9° | 174.8° |
| H041 | C04 | N03 | H031 | 34.9° | 120.0° |
| H042 | C04 | C05 | H051 | 179.2° | 65.1° |
| H042 | C04 | N03 | H031 | 153.2° | 120.0° |
| H051 | C05 | C06 | H061 | 2.8° | 177.8° |
| H051 | C05 | C06 | H062 | 122.0° | 57.7° |
| H061 | C06 | C07 | H071 | 59.9° | 59.3° |
| H061 | C06 | C07 | H072 | 180.0° | 179.2° |
| H062 | C06 | C07 | H071 | 59.2° | 60.8° |
| H062 | C06 | C07 | H072 | 60.8° | 59.1° |
| H093 | C09 | H092 | H091 | 119.9° | 120.0° |
| H191 | C19 | C20 | H201 | 105.9° | 25.5° |
| H192 | C19 | C20 | H201 | 21.5° | 105.5° |
| H311 | C31 | H313 | H312 | 119.9° | 120.0° |
| H341 | C34 | H342 | H343 | 120.0° | 120.0° |
| H372 | C37 | H371 | H373 | 120.0° | 120.0° |
