A1ENU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| O03 | C02 | sing | 1.43Å | 1.43Å | |
| C04 | O03 | sing | 1.36Å | 1.42Å | |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | N08 | sing | 1.35Å | 1.49Å | |
| O10 | C09 | doub | 1.22Å | 1.19Å | |
| C11 | C09 | sing | 1.48Å | 1.58Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.35Å | 1.56Å | |
| O17 | C16 | doub | 1.21Å | 1.19Å | |
| C18 | C16 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.61Å | |
| C20 | C19 | sing | 1.51Å | 1.46Å | |
| C21 | C20 | doub | 1.35Å | 1.40Å | Aromatic |
| C23 | N22 | sing | 1.36Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.37Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| N22 | C21 | sing | 1.37Å | 1.48Å | Aromatic |
| C29 | C21 | sing | 1.52Å | 1.50Å | |
| C31 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.55Å | |
| C35 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.42Å | |
| N37 | C29 | sing | 1.47Å | 1.66Å | |
| C38 | N37 | sing | 1.33Å | 1.42Å | |
| O39 | C38 | doub | 1.21Å | 1.18Å | |
| N15 | C14 | sing | 1.40Å | 1.47Å | |
| C40 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| N08 | C07 | sing | 1.40Å | 1.49Å | |
| C42 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C43 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C41 | sing | 1.40Å | 1.40Å | Aromatic |
| N15 | C38 | sing | 1.34Å | 1.56Å | |
| C18 | N37 | sing | 1.48Å | 1.37Å | |
| C20 | C28 | sing | 1.45Å | 1.49Å | Aromatic |
| C23 | C28 | sing | 1.42Å | 1.50Å | Aromatic |
| C30 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | 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) |
| C01 | C02 | O03 | 109.4° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C01 | C02 | H022 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.5° | 109.5° |
| C02 | O03 | C04 | 112.5° | 116.9° |
| O03 | C02 | H022 | 109.5° | 109.5° |
| O03 | C02 | H021 | 109.5° | 109.5° |
| O03 | C04 | C05 | 120.5° | 120.0° |
| O03 | C04 | C43 | 119.0° | 120.0° |
| C04 | C05 | C06 | 119.5° | 120.1° |
| C05 | C04 | C43 | 120.6° | 120.0° |
| C04 | C05 | H051 | 120.3° | 120.0° |
| C05 | C06 | C07 | 119.6° | 120.0° |
| C06 | C05 | H051 | 120.3° | 120.0° |
| C05 | C06 | H061 | 120.2° | 120.0° |
| C06 | C07 | N08 | 121.3° | 120.0° |
| C06 | C07 | C42 | 120.8° | 119.9° |
| C07 | C06 | H061 | 120.2° | 120.0° |
| N08 | C09 | O10 | 122.1° | 120.0° |
| N08 | C09 | C11 | 114.8° | 120.0° |
| C09 | N08 | C07 | 121.8° | 120.0° |
| C09 | N08 | H081 | 119.1° | 120.0° |
| O10 | C09 | C11 | 123.1° | 120.0° |
| C09 | C11 | C12 | 118.5° | 120.1° |
| C09 | C11 | C41 | 121.0° | 120.1° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C12 | C11 | C41 | 120.5° | 119.8° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.2° | 120.0° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C12 | C13 | H131 | 120.4° | 120.0° |
| C13 | C14 | N15 | 119.3° | 119.9° |
| C13 | C14 | C40 | 120.6° | 120.2° |
| C14 | C13 | H131 | 120.4° | 119.9° |
| N15 | C16 | O17 | 126.9° | 127.1° |
| N15 | C16 | C18 | 105.6° | 105.8° |
| C16 | N15 | C14 | 121.0° | 124.1° |
| C16 | N15 | C38 | 105.9° | 111.7° |
| O17 | C16 | C18 | 127.5° | 127.1° |
| C16 | C18 | C19 | 109.3° | 109.6° |
| C16 | C18 | N37 | 106.8° | 102.9° |
| C16 | C18 | H181 | 108.8° | 111.8° |
| C18 | C19 | C20 | 112.3° | 109.4° |
| C19 | C18 | N37 | 113.2° | 108.0° |
| C19 | C18 | H181 | 107.7° | 112.4° |
| C18 | C19 | H192 | 108.8° | 109.4° |
| C18 | C19 | H191 | 108.8° | 109.5° |
| C19 | C20 | C21 | 120.9° | 125.9° |
| C19 | C20 | C28 | 134.2° | 127.4° |
| C20 | C19 | H192 | 108.7° | 109.5° |
| C20 | C19 | H191 | 108.8° | 109.5° |
| C20 | C21 | N22 | 111.1° | 110.1° |
| C20 | C21 | C29 | 124.8° | 123.6° |
| C21 | C20 | C28 | 105.0° | 106.7° |
| N22 | C23 | C24 | 130.1° | 132.2° |
| C23 | N22 | C21 | 108.3° | 109.7° |
| N22 | C23 | C28 | 108.9° | 107.3° |
| C23 | N22 | H221 | 125.9° | 125.1° |
| C23 | C24 | C25 | 117.1° | 116.9° |
| C24 | C23 | C28 | 121.0° | 120.6° |
| C23 | C24 | H241 | 121.4° | 121.5° |
| C24 | C25 | C26 | 122.7° | 122.3° |
| C25 | C24 | H241 | 121.4° | 121.5° |
| C24 | C25 | H251 | 118.6° | 118.9° |
| C25 | C26 | C27 | 122.4° | 122.1° |
| C26 | C25 | H251 | 118.6° | 118.8° |
| C25 | C26 | H261 | 118.8° | 119.0° |
| C26 | C27 | C28 | 118.5° | 116.8° |
| C27 | C26 | H261 | 118.8° | 118.9° |
| C26 | C27 | H271 | 120.8° | 121.6° |
| C27 | C28 | C20 | 135.0° | 132.5° |
| C27 | C28 | C23 | 118.3° | 121.3° |
| C28 | C27 | H271 | 120.8° | 121.6° |
| N22 | C21 | C29 | 124.1° | 126.2° |
| C21 | N22 | H221 | 125.9° | 125.2° |
| C21 | C29 | C30 | 108.5° | 110.1° |
| C21 | C29 | N37 | 111.3° | 106.3° |
| C21 | C29 | H291 | 110.8° | 110.1° |
| C30 | C31 | C32 | 120.4° | 120.0° |
| C31 | C30 | C29 | 120.4° | 120.0° |
| C31 | C30 | C36 | 120.0° | 120.0° |
| C30 | C31 | H311 | 119.8° | 120.0° |
| C31 | C32 | C33 | 119.6° | 120.0° |
| C32 | C31 | H311 | 119.8° | 120.0° |
| C31 | C32 | H321 | 120.2° | 120.0° |
| C32 | C33 | C34 | 119.6° | 120.0° |
| C32 | C33 | C35 | 120.2° | 120.0° |
| C33 | C32 | H321 | 120.2° | 120.0° |
| C34 | C33 | C35 | 120.2° | 120.0° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C33 | C34 | H342 | 109.5° | 109.4° |
| C33 | C34 | H343 | 109.5° | 109.5° |
| C33 | C35 | C36 | 120.3° | 120.0° |
| C33 | C35 | H351 | 119.9° | 120.0° |
| C35 | C36 | C30 | 119.6° | 120.0° |
| C36 | C35 | H351 | 119.9° | 120.0° |
| C35 | C36 | H361 | 120.2° | 120.0° |
| C30 | C29 | N37 | 105.3° | 110.2° |
| C29 | C30 | C36 | 119.5° | 120.0° |
| C30 | C29 | H291 | 112.0° | 110.1° |
| C29 | N37 | C38 | 131.2° | 129.5° |
| C29 | N37 | C18 | 110.5° | 123.2° |
| N37 | C29 | H291 | 108.8° | 110.0° |
| N37 | C38 | O39 | 127.9° | 123.9° |
| N37 | C38 | N15 | 103.4° | 112.2° |
| C38 | N37 | C18 | 118.3° | 107.3° |
| O39 | C38 | N15 | 128.6° | 123.9° |
| N15 | C14 | C40 | 119.9° | 119.9° |
| C14 | N15 | C38 | 133.1° | 124.2° |
| C14 | C40 | C41 | 120.0° | 120.0° |
| C14 | C40 | H401 | 120.0° | 120.0° |
| C40 | C41 | C11 | 119.4° | 120.0° |
| C41 | C40 | H401 | 120.0° | 120.0° |
| C40 | C41 | H411 | 120.3° | 120.0° |
| N08 | C07 | C42 | 117.9° | 120.1° |
| C07 | N08 | H081 | 119.1° | 120.0° |
| C07 | C42 | C43 | 119.7° | 120.1° |
| C07 | C42 | H421 | 120.1° | 120.0° |
| C42 | C43 | C04 | 119.8° | 120.0° |
| C43 | C42 | H421 | 120.1° | 120.0° |
| C42 | C43 | H431 | 120.1° | 120.0° |
| C04 | C43 | H431 | 120.1° | 120.0° |
| C11 | C41 | H411 | 120.3° | 120.1° |
| N37 | C18 | H181 | 111.0° | 111.8° |
| C20 | C28 | C23 | 106.7° | 106.2° |
| C30 | C36 | H361 | 120.2° | 120.0° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | H022 | 120.0° | 119.9° |
| C01 | C02 | O03 | H021 | 120.0° | 120.0° |
| C01 | C02 | O03 | C04 | 86.1° | 180.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C01 | C02 | H022 | H021 | 120.1° | 120.1° |
| C02 | O03 | C04 | C05 | 145.0° | 0.3° |
| C02 | O03 | C04 | C43 | 34.6° | 180.0° |
| O03 | C02 | C01 | H011 | 180.0° | 60.0° |
| O03 | C02 | C01 | H013 | 60.0° | 60.1° |
| O03 | C02 | C01 | H012 | 60.0° | 180.0° |
| O03 | C02 | H022 | H021 | 120.0° | 120.0° |
| O03 | C04 | C05 | C43 | 179.6° | 179.7° |
| O03 | C04 | C05 | C06 | 179.6° | 180.0° |
| O03 | C04 | C43 | C42 | 179.3° | 179.7° |
| C04 | O03 | C02 | H022 | 33.8° | 60.0° |
| C04 | O03 | C02 | H021 | 153.9° | 60.0° |
| O03 | C04 | C05 | H051 | 0.4° | 0.0° |
| O03 | C04 | C43 | H431 | 0.7° | 0.1° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.0° |
| C05 | C04 | C43 | C42 | 0.3° | 0.6° |
| C04 | C05 | C06 | H061 | 179.7° | 179.9° |
| C05 | C04 | C43 | H431 | 179.7° | 179.8° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | N08 | 179.9° | 180.0° |
| C05 | C06 | C07 | C42 | 0.4° | 0.0° |
| C06 | C05 | C04 | C43 | 0.0° | 0.3° |
| C06 | C07 | N08 | C09 | 68.2° | 146.3° |
| C06 | C07 | N08 | C42 | 179.7° | 180.0° |
| C06 | C07 | C42 | C43 | 0.1° | 0.3° |
| C07 | C06 | C05 | H051 | 179.7° | 180.0° |
| C06 | C07 | C42 | H421 | 179.9° | 180.0° |
| C06 | C07 | N08 | H081 | 111.8° | 33.7° |
| N08 | C09 | O10 | C11 | 179.7° | 179.9° |
| N08 | C09 | C11 | C12 | 72.6° | 0.3° |
| C09 | N08 | C07 | H081 | 180.0° | 179.9° |
| C09 | N08 | C07 | C42 | 112.0° | 33.6° |
| N08 | C09 | C11 | C41 | 105.1° | 180.0° |
| O10 | C09 | C11 | C12 | 107.7° | 179.8° |
| O10 | C09 | N08 | C07 | 0.9° | 5.3° |
| O10 | C09 | C11 | C41 | 74.6° | 0.1° |
| O10 | C09 | N08 | H081 | 179.1° | 174.7° |
| C09 | C11 | C12 | C41 | 177.7° | 179.7° |
| C09 | C11 | C12 | C13 | 178.8° | 180.0° |
| C09 | C11 | C41 | C40 | 178.6° | 179.8° |
| C11 | C09 | N08 | C07 | 179.4° | 174.8° |
| C09 | C11 | C12 | H121 | 1.2° | 0.1° |
| C09 | C11 | C41 | H411 | 1.4° | 0.0° |
| C11 | C09 | N08 | H081 | 0.5° | 5.2° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C41 | C40 | 1.0° | 0.5° |
| C11 | C12 | C13 | H131 | 179.7° | 180.0° |
| C12 | C11 | C41 | H411 | 179.1° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | N15 | 178.0° | 180.0° |
| C12 | C13 | C14 | C40 | 1.8° | 0.0° |
| C13 | C12 | C11 | C41 | 1.1° | 0.3° |
| C13 | C14 | N15 | C16 | 70.9° | 6.4° |
| C13 | C14 | N15 | C40 | 176.2° | 180.0° |
| C13 | C14 | C40 | C41 | 1.9° | 0.2° |
| C13 | C14 | N15 | C38 | 110.6° | 173.5° |
| C14 | C13 | C12 | H121 | 179.7° | 179.9° |
| C13 | C14 | C40 | H401 | 178.1° | 180.0° |
| N15 | C16 | O17 | C18 | 179.6° | 179.6° |
| N15 | C16 | C18 | C19 | 122.6° | 117.1° |
| C16 | N15 | C38 | N37 | 0.6° | 1.2° |
| C16 | N15 | C38 | O39 | 180.0° | 178.7° |
| C16 | N15 | C14 | C38 | 178.5° | 179.9° |
| C16 | N15 | C14 | C40 | 105.3° | 173.6° |
| N15 | C16 | C18 | N37 | 0.2° | 2.5° |
| N15 | C16 | C18 | H181 | 120.0° | 117.7° |
| O17 | C16 | C18 | C19 | 57.1° | 63.3° |
| O17 | C16 | N15 | C14 | 1.0° | 0.5° |
| O17 | C16 | N15 | C38 | 179.8° | 179.4° |
| O17 | C16 | C18 | N37 | 179.9° | 177.9° |
| O17 | C16 | C18 | H181 | 60.3° | 62.0° |
| C16 | C18 | C19 | N37 | 118.8° | 111.4° |
| C16 | C18 | C19 | H181 | 118.0° | 124.9° |
| C16 | C18 | C19 | C20 | 169.6° | 154.0° |
| C16 | C18 | N37 | C29 | 179.6° | 175.9° |
| C16 | C18 | N37 | C38 | 0.2° | 3.2° |
| C18 | C16 | N15 | C14 | 179.3° | 179.1° |
| C18 | C16 | N15 | C38 | 0.5° | 0.9° |
| C16 | C18 | N37 | H181 | 118.4° | 120.1° |
| C16 | C18 | C19 | H192 | 49.2° | 34.0° |
| C16 | C18 | C19 | H191 | 69.9° | 86.0° |
| C18 | C19 | C20 | H192 | 120.4° | 119.9° |
| C18 | C19 | C20 | H191 | 120.4° | 120.0° |
| C18 | C19 | C20 | C21 | 17.7° | 19.2° |
| C19 | C18 | N37 | C29 | 60.1° | 60.1° |
| C19 | C18 | N37 | C38 | 120.5° | 119.0° |
| C19 | C18 | N37 | H181 | 121.3° | 124.1° |
| C18 | C19 | C20 | C28 | 162.1° | 161.0° |
| C18 | C19 | H192 | H191 | 118.7° | 120.0° |
| C19 | C20 | C21 | C28 | 179.9° | 179.8° |
| C19 | C20 | C28 | C27 | 0.3° | 0.4° |
| C19 | C20 | C21 | N22 | 179.8° | 179.6° |
| C19 | C20 | C21 | C29 | 0.4° | 0.5° |
| C20 | C19 | C18 | N37 | 50.8° | 42.6° |
| C19 | C20 | C28 | C23 | 179.7° | 179.6° |
| C20 | C19 | C18 | H181 | 72.3° | 81.1° |
| C20 | C19 | H192 | H191 | 118.7° | 120.1° |
| C20 | C21 | N22 | C23 | 0.0° | 0.1° |
| C21 | C20 | C28 | C27 | 179.8° | 179.8° |
| C20 | C21 | N22 | C29 | 179.4° | 179.9° |
| C20 | C21 | C29 | C30 | 106.3° | 111.5° |
| C20 | C21 | C29 | N37 | 9.2° | 7.8° |
| C21 | C20 | C28 | C23 | 0.2° | 0.2° |
| C21 | C20 | C19 | H192 | 102.7° | 100.8° |
| C21 | C20 | C19 | H191 | 138.2° | 139.2° |
| C20 | C21 | C29 | H291 | 130.3° | 126.9° |
| C20 | C21 | N22 | H221 | 180.0° | 179.8° |
| N22 | C23 | C24 | C28 | 179.6° | 180.0° |
| N22 | C23 | C24 | C25 | 179.7° | 180.0° |
| N22 | C23 | C28 | C27 | 179.8° | 179.9° |
| C23 | N22 | C21 | H221 | 180.0° | 180.0° |
| C23 | N22 | C21 | C29 | 179.4° | 179.7° |
| N22 | C23 | C28 | C20 | 0.2° | 0.1° |
| N22 | C23 | C24 | H241 | 0.3° | 0.1° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | C28 | C27 | 0.2° | 0.1° |
| C24 | C23 | N22 | C21 | 179.8° | 180.0° |
| C24 | C23 | C28 | C20 | 179.9° | 179.9° |
| C23 | C24 | C25 | H251 | 179.9° | 180.0° |
| C24 | C23 | N22 | H221 | 0.3° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C25 | C24 | C23 | C28 | 0.2° | 0.0° |
| C24 | C25 | C26 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C24 | H241 | 179.9° | 179.9° |
| C25 | C26 | C27 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C20 | 179.9° | 180.0° |
| C26 | C27 | C28 | C23 | 0.1° | 0.1° |
| C27 | C26 | C25 | H251 | 180.0° | 179.9° |
| C27 | C28 | C20 | C23 | 180.0° | 180.0° |
| C28 | C27 | C26 | H261 | 180.0° | 180.0° |
| N22 | C21 | C29 | C30 | 73.1° | 68.4° |
| N22 | C21 | C29 | N37 | 171.5° | 172.3° |
| N22 | C21 | C20 | C28 | 0.1° | 0.2° |
| C21 | N22 | C23 | C28 | 0.1° | 0.0° |
| N22 | C21 | C29 | H291 | 50.3° | 53.2° |
| C21 | C29 | C30 | C31 | 15.4° | 66.3° |
| C21 | C29 | C30 | N37 | 119.2° | 116.9° |
| C21 | C29 | C30 | H291 | 122.7° | 121.6° |
| C21 | C29 | N37 | H291 | 122.4° | 119.2° |
| C21 | C29 | N37 | C38 | 140.8° | 138.9° |
| C21 | C29 | N37 | C18 | 40.0° | 39.9° |
| C29 | C21 | C20 | C28 | 179.5° | 179.7° |
| C21 | C29 | C30 | C36 | 166.3° | 114.0° |
| C29 | C21 | N22 | H221 | 0.6° | 0.3° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.5° | 0.0° |
| C31 | C30 | C36 | C35 | 1.0° | 0.6° |
| C31 | C30 | C29 | C36 | 178.3° | 179.7° |
| C31 | C30 | C29 | N37 | 103.8° | 50.6° |
| C31 | C30 | C29 | H291 | 138.1° | 172.1° |
| C30 | C31 | C32 | H321 | 179.5° | 179.9° |
| C31 | C30 | C36 | H361 | 179.1° | 179.7° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 180.0° | 180.0° |
| C31 | C32 | C33 | C35 | 0.0° | 0.0° |
| C32 | C31 | C30 | C29 | 179.2° | 180.0° |
| C32 | C31 | C30 | C36 | 1.0° | 0.3° |
| C32 | C33 | C34 | C35 | 180.0° | 180.0° |
| C32 | C33 | C35 | C36 | 0.0° | 0.2° |
| C33 | C32 | C31 | H311 | 179.6° | 180.0° |
| C32 | C33 | C34 | H341 | 90.0° | 90.0° |
| C32 | C33 | C34 | H342 | 150.0° | 150.0° |
| C32 | C33 | C34 | H343 | 30.0° | 30.0° |
| C32 | C33 | C35 | H351 | 179.9° | 180.0° |
| C34 | C33 | C35 | C36 | 180.0° | 179.8° |
| C34 | C33 | C32 | H321 | 0.0° | 0.0° |
| C33 | C34 | H341 | H342 | 120.0° | 120.0° |
| C33 | C34 | H341 | H343 | 120.0° | 120.0° |
| C33 | C34 | H342 | H343 | 120.0° | 120.0° |
| C34 | C33 | C35 | H351 | 0.1° | 0.0° |
| C33 | C35 | C36 | H351 | 180.0° | 179.7° |
| C33 | C35 | C36 | C30 | 0.5° | 0.5° |
| C35 | C33 | C32 | H321 | 180.0° | 180.0° |
| C35 | C33 | C34 | H341 | 90.0° | 90.0° |
| C35 | C33 | C34 | H342 | 30.0° | 30.0° |
| C35 | C33 | C34 | H343 | 150.0° | 150.0° |
| C33 | C35 | C36 | H361 | 179.6° | 179.7° |
| C35 | C36 | C30 | C29 | 179.2° | 179.7° |
| C35 | C36 | C30 | H361 | 180.0° | 179.7° |
| C30 | C29 | N37 | H291 | 120.3° | 121.6° |
| C30 | C29 | N37 | C38 | 101.8° | 101.8° |
| C30 | C29 | N37 | C18 | 77.4° | 79.3° |
| C29 | C30 | C31 | H311 | 0.8° | 0.1° |
| C29 | C30 | C36 | H361 | 0.8° | 0.0° |
| C29 | N37 | C38 | C18 | 179.2° | 179.0° |
| C29 | N37 | C38 | O39 | 0.8° | 3.9° |
| C29 | N37 | C38 | N15 | 179.7° | 176.1° |
| N37 | C29 | C30 | C36 | 74.5° | 129.1° |
| C29 | N37 | C18 | H181 | 61.2° | 64.0° |
| N37 | C38 | O39 | N15 | 179.3° | 179.9° |
| N37 | C38 | N15 | C14 | 179.3° | 178.7° |
| C38 | N37 | C18 | H181 | 118.2° | 117.0° |
| C38 | N37 | C29 | H291 | 18.4° | 19.7° |
| O39 | C38 | N15 | C14 | 1.3° | 1.3° |
| O39 | C38 | N37 | C18 | 180.0° | 177.1° |
| N15 | C14 | C40 | C41 | 178.1° | 179.8° |
| N15 | C14 | C13 | H131 | 2.0° | 0.0° |
| N15 | C14 | C40 | H401 | 1.9° | 0.0° |
| C14 | C40 | C41 | H401 | 180.0° | 179.8° |
| C14 | C40 | C41 | C11 | 0.5° | 0.5° |
| C40 | C14 | N15 | C38 | 73.2° | 6.5° |
| C40 | C14 | C13 | H131 | 178.2° | 180.0° |
| C14 | C40 | C41 | H411 | 179.5° | 179.7° |
| C40 | C41 | C11 | H411 | 180.0° | 179.8° |
| N08 | C07 | C42 | C43 | 179.9° | 179.7° |
| N08 | C07 | C06 | H061 | 0.1° | 0.0° |
| N08 | C07 | C42 | H421 | 0.1° | 0.0° |
| C07 | C42 | C43 | H421 | 180.0° | 179.7° |
| C07 | C42 | C43 | C04 | 0.2° | 0.6° |
| C42 | C07 | C06 | H061 | 179.6° | 180.0° |
| C07 | C42 | C43 | H431 | 179.8° | 179.8° |
| C42 | C07 | N08 | H081 | 67.9° | 146.3° |
| C42 | C43 | C04 | H431 | 180.0° | 179.6° |
| C43 | C04 | C05 | H051 | 179.9° | 179.7° |
| C04 | C43 | C42 | H421 | 179.8° | 179.7° |
| C41 | C11 | C12 | H121 | 178.9° | 179.8° |
| C11 | C41 | C40 | H401 | 179.5° | 179.7° |
| N15 | C38 | N37 | C18 | 0.5° | 2.8° |
| N37 | C18 | C19 | H192 | 69.6° | 77.4° |
| N37 | C18 | C19 | H191 | 171.2° | 162.6° |
| C18 | N37 | C29 | H291 | 162.3° | 159.1° |
| C28 | C20 | C19 | H192 | 77.5° | 79.0° |
| C28 | C20 | C19 | H191 | 41.7° | 41.0° |
| C20 | C28 | C27 | H271 | 0.0° | 0.1° |
| C28 | C23 | C24 | H241 | 179.8° | 179.9° |
| C23 | C28 | C27 | H271 | 179.9° | 179.8° |
| C28 | C23 | N22 | H221 | 179.9° | 179.9° |
| C36 | C30 | C29 | H291 | 43.6° | 7.5° |
| C36 | C30 | C31 | H311 | 179.0° | 179.7° |
| C30 | C36 | C35 | H351 | 179.6° | 179.7° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H022 | 60.0° | 60.0° |
| H011 | C01 | C02 | H021 | 60.0° | 180.0° |
| H013 | C01 | C02 | H022 | 60.0° | 180.0° |
| H013 | C01 | C02 | H021 | 180.0° | 59.9° |
| H012 | C01 | C02 | H022 | 180.0° | 60.1° |
| H012 | C01 | C02 | H021 | 60.0° | 60.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.0° |
| H121 | C12 | C13 | H131 | 0.3° | 0.1° |
| H181 | C18 | C19 | H192 | 167.3° | 158.9° |
| H181 | C18 | C19 | H191 | 48.1° | 38.9° |
| H241 | C24 | C25 | H251 | 0.1° | 0.0° |
| H251 | C25 | C26 | H261 | 0.0° | 0.0° |
| H261 | C26 | C27 | H271 | 0.0° | 0.1° |
| H311 | C31 | C32 | H321 | 0.5° | 0.0° |
| H341 | C34 | H342 | H343 | 120.0° | 120.0° |
| H351 | C35 | C36 | H361 | 0.4° | 0.0° |
| H401 | C40 | C41 | H411 | 0.5° | 0.1° |
| H421 | C42 | C43 | H431 | 0.2° | 0.1° |
