A1JWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C05 | C04 | sing | 1.53Å | 1.45Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| N07 | C06 | sing | 1.47Å | 1.45Å | |
| C09 | C08 | sing | 1.51Å | 1.57Å | |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| N14 | C13 | doub | 1.33Å | 1.33Å | Aromatic |
| C15 | N14 | sing | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| C19 | C18 | doub | 1.35Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| N21 | C19 | sing | 1.35Å | 1.32Å | Aromatic |
| N22 | N21 | sing | 1.40Å | 1.38Å | Aromatic |
| C23 | N22 | doub | 1.31Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.51Å | 1.55Å | |
| C25 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.48Å | 1.55Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.56Å | |
| C33 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | N07 | sing | 1.47Å | 1.23Å | |
| C35 | N07 | sing | 1.47Å | 1.45Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C04 | N03 | sing | 1.47Å | 1.50Å | |
| C37 | N03 | sing | 1.39Å | 1.47Å | |
| C38 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
| C39 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | N40 | sing | 1.35Å | 1.47Å | |
| C43 | C42 | doub | 1.33Å | 1.33Å | |
| C42 | C41 | sing | 1.47Å | 1.54Å | |
| O44 | C41 | doub | 1.22Å | 1.19Å | |
| N40 | C39 | sing | 1.40Å | 1.48Å | |
| C45 | C39 | doub | 1.39Å | 1.42Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.41Å | Aromatic |
| C47 | C46 | doub | 1.39Å | 1.42Å | Aromatic |
| N48 | C47 | sing | 1.39Å | 1.48Å | |
| C02 | N48 | sing | 1.35Å | 1.44Å | |
| C04 | C36 | sing | 1.53Å | 1.45Å | |
| C09 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C47 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C43 | H432 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N40 | H401 | sing | 0.97Å | 1.00Å | |
| N48 | H481 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 126.9° | 125.2° |
| O01 | C02 | N48 | 124.9° | 125.2° |
| C02 | N03 | C04 | 129.9° | 125.8° |
| C02 | N03 | C37 | 107.2° | 108.4° |
| N03 | C02 | N48 | 108.3° | 109.7° |
| C04 | C05 | C06 | 114.4° | 109.2° |
| C05 | C04 | N03 | 110.3° | 109.5° |
| C05 | C04 | C36 | 113.9° | 109.2° |
| C05 | C04 | H041 | 107.9° | 109.7° |
| C04 | C05 | H051 | 108.2° | 109.5° |
| C04 | C05 | H052 | 108.2° | 109.6° |
| C05 | C06 | N07 | 115.3° | 109.5° |
| C06 | C05 | H051 | 108.2° | 109.5° |
| C06 | C05 | H052 | 108.2° | 109.5° |
| C05 | C06 | H061 | 108.0° | 109.4° |
| C05 | C06 | H062 | 108.0° | 109.4° |
| C06 | N07 | C08 | 114.0° | 111.0° |
| C06 | N07 | C35 | 113.5° | 111.2° |
| N07 | C06 | H061 | 108.0° | 109.5° |
| N07 | C06 | H062 | 108.0° | 109.5° |
| C08 | C09 | C10 | 121.9° | 119.8° |
| C09 | C08 | N07 | 112.8° | 109.5° |
| C08 | C09 | C34 | 118.8° | 119.9° |
| C09 | C08 | H081 | 108.7° | 109.4° |
| C09 | C08 | H082 | 108.6° | 109.5° |
| C09 | C10 | C11 | 120.5° | 120.1° |
| C10 | C09 | C34 | 119.2° | 120.3° |
| C09 | C10 | H101 | 119.7° | 120.0° |
| C10 | C11 | C12 | 119.9° | 119.9° |
| C11 | C10 | H101 | 119.7° | 120.0° |
| C10 | C11 | H111 | 120.1° | 120.1° |
| C11 | C12 | C13 | 122.8° | 120.2° |
| C11 | C12 | C33 | 119.2° | 119.7° |
| C12 | C11 | H111 | 120.1° | 120.1° |
| C13 | N14 | C15 | 124.0° | 121.7° |
| N14 | C13 | C12 | 115.8° | 119.8° |
| N14 | C13 | C26 | 119.4° | 120.4° |
| N14 | C15 | C16 | 119.6° | 121.1° |
| N14 | C15 | H151 | 120.2° | 119.4° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C15 | C16 | C25 | 119.1° | 119.5° |
| C16 | C15 | H151 | 120.2° | 119.5° |
| C17 | C18 | C19 | 126.0° | 126.0° |
| C18 | C17 | C16 | 114.9° | 109.5° |
| C17 | C18 | C23 | 126.2° | 126.0° |
| C18 | C17 | H171 | 108.1° | 109.5° |
| C18 | C17 | H172 | 108.1° | 109.5° |
| C18 | C19 | C20 | 126.5° | 126.2° |
| C18 | C19 | N21 | 107.1° | 107.8° |
| C19 | C18 | C23 | 107.8° | 107.9° |
| C20 | C19 | N21 | 126.4° | 126.1° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.4° | 109.5° |
| C19 | C20 | H203 | 109.4° | 109.4° |
| C19 | N21 | N22 | 110.6° | 107.9° |
| C19 | N21 | H211 | 124.7° | 126.1° |
| N21 | N22 | C23 | 107.4° | 108.2° |
| N22 | N21 | H211 | 124.7° | 126.0° |
| N22 | C23 | C24 | 126.3° | 125.9° |
| N22 | C23 | C18 | 107.1° | 108.2° |
| C24 | C23 | C18 | 126.6° | 125.9° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C17 | C16 | C25 | 120.9° | 120.3° |
| C16 | C17 | H171 | 108.1° | 109.5° |
| C16 | C17 | H172 | 108.1° | 109.5° |
| C16 | C25 | C26 | 119.4° | 118.4° |
| C16 | C25 | H251 | 120.3° | 120.8° |
| C25 | C26 | C27 | 117.8° | 120.6° |
| C25 | C26 | C13 | 118.4° | 118.8° |
| C26 | C25 | H251 | 120.3° | 120.8° |
| C26 | C27 | C28 | 121.1° | 120.1° |
| C27 | C26 | C13 | 123.7° | 120.6° |
| C26 | C27 | C32 | 119.3° | 120.1° |
| C27 | C28 | C29 | 119.9° | 119.8° |
| C28 | C27 | C32 | 119.7° | 119.7° |
| C27 | C28 | H281 | 120.1° | 120.1° |
| C28 | C29 | C30 | 120.4° | 120.1° |
| C29 | C28 | H281 | 120.0° | 120.1° |
| C28 | C29 | H291 | 119.8° | 119.9° |
| C29 | C30 | C31 | 119.8° | 120.3° |
| C30 | C29 | H291 | 119.8° | 120.0° |
| C29 | C30 | H301 | 120.1° | 119.8° |
| C30 | C31 | C32 | 119.8° | 120.1° |
| C31 | C30 | H301 | 120.1° | 119.9° |
| C30 | C31 | H311 | 120.1° | 119.9° |
| C31 | C32 | C27 | 120.4° | 119.9° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| C31 | C32 | H321 | 119.8° | 120.0° |
| C13 | C12 | C33 | 117.9° | 120.1° |
| C12 | C13 | C26 | 124.8° | 119.9° |
| C12 | C33 | C34 | 120.7° | 119.9° |
| C12 | C33 | H331 | 119.6° | 120.1° |
| C33 | C34 | C09 | 120.4° | 120.1° |
| C34 | C33 | H331 | 119.6° | 120.0° |
| C33 | C34 | H341 | 119.8° | 120.0° |
| C08 | N07 | C35 | 111.0° | 111.0° |
| N07 | C08 | H081 | 108.6° | 109.4° |
| N07 | C08 | H082 | 108.6° | 109.5° |
| N07 | C35 | C36 | 113.5° | 109.6° |
| N07 | C35 | H351 | 108.4° | 109.4° |
| N07 | C35 | H352 | 108.4° | 109.4° |
| C35 | C36 | C04 | 113.1° | 109.2° |
| C36 | C35 | H351 | 108.5° | 109.5° |
| C36 | C35 | H352 | 108.5° | 109.5° |
| C35 | C36 | H361 | 108.6° | 109.5° |
| C35 | C36 | H362 | 108.6° | 109.5° |
| C04 | N03 | C37 | 123.0° | 125.8° |
| N03 | C04 | C36 | 109.2° | 109.5° |
| N03 | C04 | H041 | 107.4° | 109.5° |
| N03 | C37 | C38 | 130.3° | 133.3° |
| N03 | C37 | C47 | 108.9° | 106.9° |
| C37 | C38 | C39 | 119.9° | 119.8° |
| C38 | C37 | C47 | 120.8° | 119.9° |
| C37 | C38 | H381 | 120.1° | 120.1° |
| C38 | C39 | N40 | 117.1° | 119.9° |
| C38 | C39 | C45 | 119.7° | 120.1° |
| C39 | C38 | H381 | 120.0° | 120.1° |
| N40 | C41 | C42 | 122.9° | 120.0° |
| N40 | C41 | O44 | 118.0° | 120.0° |
| C41 | N40 | C39 | 126.2° | 120.0° |
| C41 | N40 | H401 | 116.9° | 120.0° |
| C43 | C42 | C41 | 110.8° | 120.0° |
| C43 | C42 | H421 | 124.6° | 120.0° |
| C42 | C43 | H431 | 120.0° | 120.0° |
| C42 | C43 | H432 | 120.0° | 120.0° |
| C42 | C41 | O44 | 119.0° | 120.0° |
| C41 | C42 | H421 | 124.6° | 120.0° |
| N40 | C39 | C45 | 123.2° | 119.9° |
| C39 | N40 | H401 | 116.9° | 120.0° |
| C39 | C45 | C46 | 120.3° | 120.2° |
| C39 | C45 | H451 | 119.8° | 119.8° |
| C45 | C46 | C47 | 119.7° | 120.0° |
| C46 | C45 | H451 | 119.8° | 119.9° |
| C45 | C46 | H461 | 120.2° | 120.0° |
| C46 | C47 | N48 | 132.4° | 133.3° |
| C46 | C47 | C37 | 119.6° | 120.0° |
| C47 | C46 | H461 | 120.1° | 120.0° |
| C47 | N48 | C02 | 107.7° | 108.4° |
| N48 | C47 | C37 | 108.0° | 106.7° |
| C47 | N48 | H481 | 126.1° | 125.9° |
| C02 | N48 | H481 | 126.2° | 125.7° |
| C36 | C04 | H041 | 107.9° | 109.5° |
| C04 | C36 | H361 | 108.6° | 109.5° |
| C04 | C36 | H362 | 108.6° | 109.6° |
| C09 | C34 | H341 | 119.8° | 120.0° |
| C27 | C32 | H321 | 119.8° | 120.1° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H431 | C43 | H432 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | N48 | 179.8° | 179.7° |
| O01 | C02 | N03 | C04 | 0.2° | 0.0° |
| O01 | C02 | N03 | C37 | 179.8° | 180.0° |
| O01 | C02 | N48 | C47 | 179.9° | 180.0° |
| O01 | C02 | N48 | H481 | 0.1° | 0.0° |
| C02 | N03 | C04 | C05 | 62.9° | 59.7° |
| C02 | N03 | C04 | C37 | 179.5° | 180.0° |
| C02 | N03 | C37 | C38 | 179.8° | 179.9° |
| N03 | C02 | N48 | C47 | 0.1° | 0.3° |
| C02 | N03 | C04 | C36 | 62.9° | 60.0° |
| C02 | N03 | C37 | C47 | 0.1° | 0.2° |
| C02 | N03 | C04 | H041 | 179.8° | 180.0° |
| N03 | C02 | N48 | H481 | 179.9° | 179.8° |
| C04 | C05 | C06 | H051 | 120.7° | 119.9° |
| C04 | C05 | C06 | H052 | 120.7° | 120.0° |
| C04 | C05 | C06 | N07 | 42.3° | 59.2° |
| C05 | C04 | C36 | C35 | 49.0° | 57.7° |
| C05 | C04 | N03 | C36 | 125.8° | 119.7° |
| C05 | C04 | N03 | H041 | 117.3° | 120.3° |
| C05 | C04 | N03 | C37 | 117.6° | 120.3° |
| C05 | C04 | C36 | H041 | 119.8° | 120.1° |
| C04 | C05 | H051 | H052 | 117.7° | 120.2° |
| C04 | C05 | C06 | H061 | 78.5° | 60.8° |
| C04 | C05 | C06 | H062 | 163.2° | 179.2° |
| C05 | C04 | C36 | H361 | 169.5° | 62.2° |
| C05 | C04 | C36 | H362 | 71.6° | 177.6° |
| C05 | C06 | N07 | H061 | 120.8° | 120.0° |
| C05 | C06 | N07 | H062 | 120.8° | 120.0° |
| C05 | C06 | N07 | C08 | 172.9° | 174.1° |
| C05 | C06 | N07 | C35 | 44.4° | 61.7° |
| C06 | C05 | C04 | N03 | 167.7° | 177.5° |
| C06 | C05 | C04 | C36 | 44.5° | 57.7° |
| C06 | C05 | C04 | H041 | 75.3° | 62.3° |
| C06 | C05 | H051 | H052 | 117.8° | 120.1° |
| C05 | C06 | H061 | H062 | 117.3° | 119.9° |
| C06 | N07 | C08 | C09 | 59.7° | 65.7° |
| C06 | N07 | C08 | C35 | 129.7° | 124.2° |
| C06 | N07 | C35 | C36 | 48.8° | 61.7° |
| N07 | C06 | C05 | H051 | 163.0° | 179.1° |
| N07 | C06 | C05 | H052 | 78.4° | 60.8° |
| N07 | C06 | H061 | H062 | 117.4° | 120.0° |
| C06 | N07 | C08 | H081 | 60.8° | 54.2° |
| C06 | N07 | C08 | H082 | 179.8° | 174.2° |
| C06 | N07 | C35 | H351 | 71.8° | 178.2° |
| C06 | N07 | C35 | H352 | 169.4° | 58.3° |
| C08 | C09 | C10 | C34 | 179.6° | 180.0° |
| C08 | C09 | C10 | C11 | 179.5° | 179.7° |
| C08 | C09 | C34 | C33 | 179.4° | 179.5° |
| C09 | C08 | N07 | H081 | 120.5° | 119.9° |
| C09 | C08 | N07 | H082 | 120.5° | 120.1° |
| C09 | C08 | N07 | C35 | 170.6° | 170.0° |
| C08 | C09 | C10 | H101 | 0.5° | 0.0° |
| C09 | C08 | H081 | H082 | 118.5° | 120.0° |
| C08 | C09 | C34 | H341 | 0.6° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 1.1° | 0.0° |
| C10 | C09 | C34 | C33 | 0.2° | 0.5° |
| C10 | C09 | C08 | N07 | 49.0° | 90.0° |
| C10 | C09 | C08 | H081 | 169.5° | 150.0° |
| C10 | C09 | C08 | H082 | 71.5° | 30.0° |
| C09 | C10 | C11 | H111 | 178.8° | 180.0° |
| C10 | C09 | C34 | H341 | 179.8° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.1° | 180.0° |
| C10 | C11 | C12 | C33 | 2.3° | 0.0° |
| C11 | C10 | C09 | C34 | 0.1° | 0.2° |
| C11 | C12 | C13 | N14 | 53.2° | 34.7° |
| C11 | C12 | C13 | C33 | 175.9° | 179.9° |
| C11 | C12 | C33 | C34 | 2.4° | 0.3° |
| C11 | C12 | C13 | C26 | 129.7° | 145.0° |
| C12 | C11 | C10 | H101 | 178.8° | 179.8° |
| C11 | C12 | C33 | H331 | 177.6° | 180.0° |
| C13 | N14 | C15 | C16 | 0.4° | 0.1° |
| N14 | C13 | C26 | C25 | 0.8° | 0.3° |
| N14 | C13 | C26 | C27 | 179.2° | 179.7° |
| N14 | C13 | C12 | C26 | 177.0° | 179.7° |
| N14 | C13 | C12 | C33 | 122.7° | 145.2° |
| C13 | N14 | C15 | H151 | 179.6° | 179.9° |
| N14 | C15 | C16 | H151 | 180.0° | 180.0° |
| N14 | C15 | C16 | C17 | 179.0° | 180.0° |
| N14 | C15 | C16 | C25 | 0.7° | 0.3° |
| C15 | N14 | C13 | C12 | 178.4° | 179.9° |
| C15 | N14 | C13 | C26 | 1.2° | 0.2° |
| C15 | C16 | C17 | C18 | 96.4° | 90.0° |
| C15 | C16 | C17 | C25 | 178.3° | 179.7° |
| C15 | C16 | C25 | C26 | 1.0° | 0.3° |
| C15 | C16 | C17 | H171 | 24.4° | 150.0° |
| C15 | C16 | C17 | H172 | 142.8° | 30.0° |
| C15 | C16 | C25 | H251 | 179.0° | 179.7° |
| C17 | C18 | C19 | C23 | 178.0° | 179.7° |
| C17 | C18 | C19 | C20 | 1.5° | 0.0° |
| C17 | C18 | C19 | N21 | 178.8° | 180.0° |
| C17 | C18 | C23 | N22 | 178.9° | 180.0° |
| C17 | C18 | C23 | C24 | 1.6° | 0.1° |
| C18 | C17 | C16 | H171 | 120.8° | 120.0° |
| C18 | C17 | C16 | H172 | 120.8° | 120.0° |
| C18 | C17 | C16 | C25 | 85.3° | 89.7° |
| C18 | C17 | H171 | H172 | 117.6° | 120.0° |
| C18 | C19 | C20 | N21 | 179.5° | 180.0° |
| C18 | C19 | N21 | N22 | 0.4° | 0.2° |
| C19 | C18 | C23 | N22 | 1.0° | 0.3° |
| C19 | C18 | C23 | C24 | 179.6° | 179.8° |
| C19 | C18 | C17 | C16 | 87.2° | 89.7° |
| C19 | C18 | C17 | H171 | 152.0° | 150.3° |
| C19 | C18 | C17 | H172 | 33.6° | 30.3° |
| C18 | C19 | C20 | H201 | 90.2° | 89.9° |
| C18 | C19 | C20 | H202 | 149.8° | 150.0° |
| C18 | C19 | C20 | H203 | 29.8° | 30.0° |
| C18 | C19 | N21 | H211 | 179.6° | 179.9° |
| C20 | C19 | N21 | N22 | 179.9° | 179.8° |
| C20 | C19 | C18 | C23 | 179.5° | 179.7° |
| C19 | C20 | H201 | H202 | 120.0° | 120.1° |
| C19 | C20 | H201 | H203 | 120.0° | 119.9° |
| C19 | C20 | H202 | H203 | 120.0° | 119.9° |
| C20 | C19 | N21 | H211 | 0.0° | 0.1° |
| C19 | N21 | N22 | H211 | 180.0° | 179.7° |
| C19 | N21 | N22 | C23 | 0.2° | 0.0° |
| N21 | C19 | C18 | C23 | 0.9° | 0.3° |
| N21 | C19 | C20 | H201 | 90.2° | 90.1° |
| N21 | C19 | C20 | H202 | 29.8° | 30.0° |
| N21 | C19 | C20 | H203 | 149.8° | 149.9° |
| N21 | N22 | C23 | C24 | 179.9° | 179.9° |
| N21 | N22 | C23 | C18 | 0.7° | 0.2° |
| N22 | C23 | C24 | C18 | 179.3° | 179.9° |
| N22 | C23 | C24 | H241 | 0.0° | 90.0° |
| N22 | C23 | C24 | H242 | 120.0° | 30.1° |
| N22 | C23 | C24 | H243 | 120.0° | 150.0° |
| C23 | N22 | N21 | H211 | 179.8° | 179.8° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C17 | C16 | C25 | C26 | 179.3° | 180.0° |
| C16 | C17 | C18 | C23 | 95.2° | 89.9° |
| C17 | C16 | C15 | H151 | 1.0° | 0.0° |
| C16 | C17 | H171 | H172 | 117.5° | 120.0° |
| C17 | C16 | C25 | H251 | 0.7° | 0.0° |
| C16 | C25 | C26 | H251 | 180.0° | 180.0° |
| C16 | C25 | C26 | C27 | 179.8° | 180.0° |
| C16 | C25 | C26 | C13 | 0.3° | 0.0° |
| C25 | C16 | C15 | H151 | 179.3° | 179.7° |
| C25 | C16 | C17 | H171 | 153.9° | 30.3° |
| C25 | C16 | C17 | H172 | 35.5° | 150.3° |
| C25 | C26 | C27 | C13 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 131.3° | 50.0° |
| C25 | C26 | C13 | C12 | 177.7° | 180.0° |
| C25 | C26 | C27 | C32 | 47.8° | 130.0° |
| C26 | C27 | C28 | C32 | 179.1° | 180.0° |
| C26 | C27 | C28 | C29 | 180.0° | 179.7° |
| C26 | C27 | C32 | C31 | 179.9° | 179.5° |
| C27 | C26 | C13 | C12 | 2.2° | 0.0° |
| C26 | C27 | C28 | H281 | 0.0° | 0.0° |
| C27 | C26 | C25 | H251 | 0.2° | 0.0° |
| C26 | C27 | C32 | H321 | 0.2° | 0.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.6° | 0.0° |
| C28 | C27 | C32 | C31 | 0.7° | 0.5° |
| C28 | C27 | C26 | C13 | 48.7° | 130.0° |
| C27 | C28 | C29 | H291 | 179.4° | 180.0° |
| C28 | C27 | C32 | H321 | 179.3° | 180.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C29 | C28 | C27 | C32 | 0.9° | 0.3° |
| C28 | C29 | C30 | H301 | 179.8° | 180.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.2° |
| C30 | C29 | C28 | H281 | 179.4° | 179.7° |
| C29 | C30 | C31 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.8° |
| C30 | C31 | C32 | C27 | 0.3° | 0.5° |
| C31 | C30 | C29 | H291 | 179.8° | 180.0° |
| C30 | C31 | C32 | H321 | 179.7° | 179.9° |
| C31 | C32 | C27 | H321 | 180.0° | 179.5° |
| C32 | C31 | C30 | H301 | 180.0° | 179.8° |
| C13 | C12 | C33 | C34 | 178.4° | 179.7° |
| C13 | C12 | C11 | H111 | 1.9° | 0.0° |
| C13 | C12 | C33 | H331 | 1.6° | 0.1° |
| C12 | C33 | C34 | H331 | 180.0° | 179.7° |
| C12 | C33 | C34 | C09 | 1.4° | 0.5° |
| C33 | C12 | C13 | C26 | 54.4° | 35.1° |
| C33 | C12 | C11 | H111 | 177.7° | 179.9° |
| C12 | C33 | C34 | H341 | 178.6° | 180.0° |
| C33 | C34 | C09 | H341 | 180.0° | 179.5° |
| C08 | N07 | C35 | C36 | 178.7° | 174.1° |
| N07 | C08 | C09 | C34 | 130.6° | 89.9° |
| C08 | N07 | C06 | H061 | 52.0° | 65.9° |
| C08 | N07 | C06 | H062 | 66.3° | 54.2° |
| N07 | C08 | H081 | H082 | 118.5° | 120.0° |
| C08 | N07 | C35 | H351 | 58.1° | 54.1° |
| C08 | N07 | C35 | H352 | 60.7° | 65.8° |
| N07 | C35 | C36 | H351 | 120.6° | 120.0° |
| N07 | C35 | C36 | H352 | 120.6° | 120.0° |
| N07 | C35 | C36 | C04 | 51.4° | 59.2° |
| C35 | N07 | C06 | H061 | 76.4° | 58.3° |
| C35 | N07 | C06 | H062 | 165.3° | 178.3° |
| C35 | N07 | C08 | H081 | 68.9° | 70.0° |
| C35 | N07 | C08 | H082 | 50.1° | 50.0° |
| N07 | C35 | H351 | H352 | 118.1° | 119.9° |
| N07 | C35 | C36 | H361 | 172.0° | 60.8° |
| N07 | C35 | C36 | H362 | 69.1° | 179.1° |
| C35 | C36 | C04 | N03 | 172.7° | 177.6° |
| C35 | C36 | C04 | H361 | 120.6° | 119.9° |
| C35 | C36 | C04 | H362 | 120.5° | 119.9° |
| C35 | C36 | C04 | H041 | 70.8° | 62.4° |
| C36 | C35 | H351 | H352 | 118.2° | 120.0° |
| C35 | C36 | H361 | H362 | 118.3° | 120.0° |
| C04 | N03 | C37 | C38 | 0.5° | 0.1° |
| C04 | N03 | C02 | N48 | 179.6° | 179.7° |
| N03 | C04 | C36 | H041 | 116.5° | 120.1° |
| C04 | N03 | C37 | C47 | 179.8° | 179.8° |
| N03 | C04 | C05 | H051 | 71.6° | 62.5° |
| N03 | C04 | C05 | H052 | 46.9° | 57.6° |
| N03 | C04 | C36 | H361 | 66.8° | 57.6° |
| N03 | C04 | C36 | H362 | 52.2° | 62.5° |
| N03 | C37 | C38 | C47 | 179.7° | 179.7° |
| N03 | C37 | C38 | C39 | 179.4° | 180.0° |
| N03 | C37 | C47 | C46 | 179.8° | 179.8° |
| N03 | C37 | C47 | N48 | 0.2° | 0.0° |
| C37 | N03 | C02 | N48 | 0.0° | 0.3° |
| C37 | N03 | C04 | C36 | 116.6° | 120.0° |
| C37 | N03 | C04 | H041 | 0.2° | 0.1° |
| N03 | C37 | C38 | H381 | 0.6° | 0.1° |
| C37 | C38 | C39 | H381 | 180.0° | 179.9° |
| C37 | C38 | C39 | N40 | 179.4° | 180.0° |
| C37 | C38 | C39 | C45 | 0.7° | 0.1° |
| C38 | C37 | C47 | C46 | 0.1° | 0.4° |
| C38 | C37 | C47 | N48 | 179.9° | 179.8° |
| C38 | C39 | N40 | C41 | 138.1° | 33.3° |
| C38 | C39 | N40 | C45 | 178.7° | 180.0° |
| C38 | C39 | C45 | C46 | 0.8° | 0.0° |
| C39 | C38 | C37 | C47 | 0.2° | 0.3° |
| C38 | C39 | C45 | H451 | 179.2° | 180.0° |
| C38 | C39 | N40 | H401 | 41.9° | 146.6° |
| N40 | C41 | C42 | C43 | 91.4° | 180.0° |
| N40 | C41 | C42 | O44 | 179.2° | 180.0° |
| C41 | N40 | C39 | H401 | 180.0° | 179.9° |
| C41 | N40 | C39 | C45 | 43.3° | 146.6° |
| N40 | C41 | C42 | H421 | 88.5° | 0.0° |
| C43 | C42 | C41 | H421 | 180.0° | 179.9° |
| C43 | C42 | C41 | O44 | 87.8° | 0.1° |
| C42 | C43 | H431 | H432 | 180.0° | 179.9° |
| C42 | C41 | N40 | C39 | 0.9° | 174.7° |
| C41 | C42 | C43 | H431 | 180.0° | 0.1° |
| C41 | C42 | C43 | H432 | 0.0° | 180.0° |
| C42 | C41 | N40 | H401 | 179.1° | 5.3° |
| O44 | C41 | N40 | C39 | 179.9° | 5.3° |
| O44 | C41 | C42 | H421 | 92.3° | 180.0° |
| O44 | C41 | N40 | H401 | 0.1° | 174.8° |
| N40 | C39 | C45 | C46 | 179.4° | 180.0° |
| N40 | C39 | C38 | H381 | 0.6° | 0.1° |
| N40 | C39 | C45 | H451 | 0.6° | 0.0° |
| C39 | C45 | C46 | H451 | 180.0° | 180.0° |
| C39 | C45 | C46 | C47 | 0.5° | 0.2° |
| C45 | C39 | C38 | H381 | 179.3° | 180.0° |
| C39 | C45 | C46 | H461 | 179.5° | 179.9° |
| C45 | C39 | N40 | H401 | 136.8° | 33.4° |
| C45 | C46 | C47 | H461 | 180.0° | 179.9° |
| C45 | C46 | C47 | N48 | 180.0° | 179.9° |
| C45 | C46 | C47 | C37 | 0.0° | 0.4° |
| C46 | C47 | N48 | C37 | 180.0° | 179.7° |
| C46 | C47 | N48 | C02 | 179.9° | 179.6° |
| C47 | C46 | C45 | H451 | 179.5° | 179.8° |
| C46 | C47 | N48 | H481 | 0.2° | 0.4° |
| C47 | N48 | C02 | H481 | 180.0° | 180.0° |
| N48 | C47 | C46 | H461 | 0.0° | 0.1° |
| C02 | N48 | C47 | C37 | 0.1° | 0.1° |
| C36 | C04 | C05 | H051 | 165.2° | 177.6° |
| C36 | C04 | C05 | H052 | 76.2° | 62.2° |
| C04 | C36 | C35 | H351 | 69.2° | 179.2° |
| C04 | C36 | C35 | H352 | 172.0° | 60.8° |
| C04 | C36 | H361 | H362 | 118.3° | 120.2° |
| C34 | C09 | C10 | H101 | 179.9° | 180.0° |
| C34 | C09 | C08 | H081 | 10.1° | 30.0° |
| C34 | C09 | C08 | H082 | 108.9° | 150.0° |
| C09 | C34 | C33 | H331 | 178.7° | 179.8° |
| C13 | C26 | C27 | C32 | 132.2° | 50.0° |
| C13 | C26 | C25 | H251 | 179.7° | 180.0° |
| C23 | C18 | C17 | H171 | 25.6° | 30.1° |
| C23 | C18 | C17 | H172 | 144.0° | 150.0° |
| C18 | C23 | C24 | H241 | 179.3° | 90.0° |
| C18 | C23 | C24 | H242 | 60.7° | 150.0° |
| C18 | C23 | C24 | H243 | 59.3° | 30.1° |
| C32 | C27 | C28 | H281 | 179.1° | 180.0° |
| C27 | C32 | C31 | H311 | 179.7° | 179.7° |
| C47 | C37 | C38 | H381 | 179.7° | 179.8° |
| C37 | C47 | C46 | H461 | 180.0° | 179.7° |
| C37 | C47 | N48 | H481 | 179.8° | 179.9° |
| H101 | C10 | C11 | H111 | 1.2° | 0.2° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H281 | C28 | C29 | H291 | 0.6° | 0.3° |
| H041 | C04 | C05 | H051 | 45.4° | 57.6° |
| H041 | C04 | C05 | H052 | 164.0° | 177.7° |
| H041 | C04 | C36 | H361 | 49.7° | 177.7° |
| H041 | C04 | C36 | H362 | 168.6° | 57.5° |
| H051 | C05 | C06 | H061 | 42.2° | 59.1° |
| H051 | C05 | C06 | H062 | 76.1° | 60.9° |
| H052 | C05 | C06 | H061 | 160.8° | 179.2° |
| H052 | C05 | C06 | H062 | 42.5° | 59.2° |
| H291 | C29 | C30 | H301 | 0.2° | 0.0° |
| H301 | C30 | C31 | H311 | 0.1° | 0.0° |
| H311 | C31 | C32 | H321 | 0.3° | 0.3° |
| H331 | C33 | C34 | H341 | 1.4° | 0.3° |
| H351 | C35 | C36 | H361 | 51.4° | 59.2° |
| H351 | C35 | C36 | H362 | 170.3° | 60.9° |
| H352 | C35 | C36 | H361 | 67.4° | 179.2° |
| H352 | C35 | C36 | H362 | 51.5° | 59.1° |
| H421 | C42 | C43 | H431 | 0.1° | 180.0° |
| H421 | C42 | C43 | H432 | 180.0° | 0.1° |
| H451 | C45 | C46 | H461 | 0.5° | 0.1° |
