A1CIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.43Å | Aromatic |
| C46 | C47 | doub | 1.36Å | 1.38Å | Aromatic |
| C46 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| N15 | C14 | sing | 1.34Å | 1.36Å | Aromatic |
| N15 | C16 | doub | 1.31Å | 1.32Å | Aromatic |
| C47 | C48 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C08 | doub | 1.42Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | CL11 | sing | 1.74Å | 1.79Å | |
| C10 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
| C48 | C53 | sing | 1.41Å | 1.42Å | Aromatic |
| C48 | C49 | doub | 1.42Å | 1.37Å | Aromatic |
| C53 | C52 | doub | 1.36Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.43Å | Aromatic |
| C08 | C07 | sing | 1.42Å | 1.44Å | Aromatic |
| C17 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C44 | C49 | sing | 1.41Å | 1.44Å | Aromatic |
| C44 | C02 | sing | 1.51Å | 1.55Å | |
| C49 | C50 | sing | 1.41Å | 1.43Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.53Å | |
| C52 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | N03 | sing | 1.47Å | 1.48Å | |
| C50 | C51 | doub | 1.36Å | 1.39Å | Aromatic |
| C06 | N03 | sing | 1.37Å | 1.34Å | Aromatic |
| C06 | N18 | doub | 1.31Å | 1.33Å | Aromatic |
| N03 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| N18 | C19 | sing | 1.35Å | 1.35Å | Aromatic |
| F35 | C32 | sing | 1.40Å | 1.36Å | |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| F34 | C32 | sing | 1.40Å | 1.36Å | |
| C04 | C19 | doub | 1.41Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C32 | F33 | sing | 1.40Å | 1.36Å | |
| C31 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.47Å | |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.54Å | |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| C25 | N24 | sing | 1.48Å | 1.34Å | |
| C26 | C37 | sing | 1.54Å | 1.59Å | |
| N24 | C23 | sing | 1.35Å | 1.46Å | |
| N24 | C42 | sing | 1.48Å | 1.63Å | |
| C23 | O43 | doub | 1.22Å | 1.18Å | |
| C37 | C42 | sing | 1.54Å | 1.32Å | |
| C37 | C38 | sing | 1.51Å | 1.61Å | |
| C40 | N39 | sing | 1.47Å | 1.45Å | |
| C38 | N39 | sing | 1.35Å | 1.46Å | |
| C38 | O41 | doub | 1.21Å | 1.19Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 120.3° | 119.8° |
| C13 | C12 | C10 | 119.8° | 121.0° |
| C12 | C13 | H131 | 119.9° | 120.1° |
| C13 | C12 | H121 | 120.1° | 119.5° |
| C13 | C14 | N15 | 118.4° | 121.0° |
| C13 | C14 | C08 | 120.4° | 119.0° |
| C14 | C13 | H131 | 119.8° | 120.1° |
| C47 | C46 | C45 | 120.3° | 121.0° |
| C46 | C47 | C48 | 119.8° | 119.7° |
| C47 | C46 | H461 | 119.8° | 119.5° |
| C46 | C47 | H471 | 120.1° | 120.2° |
| C46 | C45 | C44 | 121.1° | 120.9° |
| C46 | C45 | H451 | 119.4° | 119.5° |
| C45 | C46 | H461 | 119.9° | 119.4° |
| C14 | N15 | C16 | 122.2° | 121.9° |
| N15 | C14 | C08 | 121.2° | 120.0° |
| N15 | C16 | C17 | 120.2° | 121.8° |
| N15 | C16 | H161 | 119.9° | 119.1° |
| C47 | C48 | C53 | 118.4° | 121.3° |
| C47 | C48 | C49 | 120.7° | 119.3° |
| C48 | C47 | H471 | 120.1° | 120.1° |
| C12 | C10 | CL11 | 119.7° | 119.6° |
| C12 | C10 | C09 | 120.0° | 120.8° |
| C10 | C12 | H121 | 120.1° | 119.5° |
| C14 | C08 | C09 | 119.1° | 119.7° |
| C14 | C08 | C07 | 118.2° | 118.9° |
| C16 | C17 | C07 | 119.6° | 119.6° |
| C16 | C17 | H171 | 120.2° | 120.2° |
| C17 | C16 | H161 | 119.9° | 119.1° |
| C45 | C44 | C49 | 118.1° | 119.7° |
| C45 | C44 | C02 | 121.1° | 120.1° |
| C44 | C45 | H451 | 119.4° | 119.5° |
| CL11 | C10 | C09 | 120.2° | 119.6° |
| C10 | C09 | C08 | 120.4° | 119.6° |
| C10 | C09 | H091 | 119.8° | 120.2° |
| C53 | C48 | C49 | 121.0° | 119.4° |
| C48 | C53 | C52 | 120.3° | 119.7° |
| C48 | C53 | H531 | 119.9° | 120.2° |
| C48 | C49 | C44 | 120.0° | 119.4° |
| C48 | C49 | C50 | 117.9° | 119.4° |
| C53 | C52 | C51 | 119.5° | 121.0° |
| C53 | C52 | H521 | 120.2° | 119.5° |
| C52 | C53 | H531 | 119.8° | 120.2° |
| C09 | C08 | C07 | 122.7° | 121.4° |
| C08 | C09 | H091 | 119.8° | 120.2° |
| C08 | C07 | C17 | 118.5° | 117.8° |
| C08 | C07 | C06 | 120.2° | 121.1° |
| C17 | C07 | C06 | 121.3° | 121.1° |
| C07 | C17 | H171 | 120.2° | 120.2° |
| C49 | C44 | C02 | 120.7° | 120.2° |
| C44 | C49 | C50 | 122.1° | 121.3° |
| C44 | C02 | C01 | 114.0° | 109.5° |
| C44 | C02 | N03 | 113.2° | 109.5° |
| C44 | C02 | H021 | 106.6° | 109.5° |
| C49 | C50 | C51 | 121.1° | 119.6° |
| C49 | C50 | H501 | 119.4° | 120.2° |
| C07 | C06 | N03 | 130.8° | 125.1° |
| C07 | C06 | N18 | 119.3° | 125.1° |
| C52 | C51 | C50 | 120.2° | 121.0° |
| C52 | C51 | H511 | 119.9° | 119.5° |
| C51 | C52 | H521 | 120.2° | 119.5° |
| C01 | C02 | N03 | 108.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 106.8° | 109.4° |
| C02 | N03 | C06 | 128.9° | 126.5° |
| C02 | N03 | C04 | 124.6° | 126.5° |
| N03 | C02 | H021 | 107.4° | 109.4° |
| C51 | C50 | H501 | 119.5° | 120.2° |
| C50 | C51 | H511 | 119.9° | 119.5° |
| N03 | C06 | N18 | 109.9° | 109.8° |
| C06 | N03 | C04 | 106.4° | 107.0° |
| C06 | N18 | C19 | 108.8° | 109.8° |
| N03 | C04 | C19 | 107.9° | 106.2° |
| N03 | C04 | C05 | 133.9° | 133.8° |
| N18 | C19 | C04 | 106.9° | 107.2° |
| N18 | C19 | C20 | 131.6° | 133.2° |
| F35 | C32 | F34 | 109.3° | 109.5° |
| F35 | C32 | C31 | 109.8° | 109.5° |
| F35 | C32 | F33 | 109.1° | 109.5° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C30 | C29 | H291 | 120.0° | 120.0° |
| C29 | C30 | H301 | 120.1° | 120.0° |
| C30 | C31 | C32 | 119.7° | 120.0° |
| C30 | C31 | C36 | 120.0° | 120.0° |
| C31 | C30 | H301 | 120.1° | 120.0° |
| F34 | C32 | C31 | 109.5° | 109.5° |
| F34 | C32 | F33 | 109.3° | 109.5° |
| C19 | C04 | C05 | 118.2° | 120.0° |
| C04 | C19 | C20 | 121.5° | 119.6° |
| C04 | C05 | C22 | 120.8° | 119.6° |
| C04 | C05 | H051 | 119.6° | 120.2° |
| C29 | C28 | C27 | 120.8° | 120.0° |
| C29 | C28 | H281 | 119.6° | 120.0° |
| C28 | C29 | H291 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.1° |
| C19 | C20 | H201 | 120.1° | 120.0° |
| C31 | C32 | F33 | 109.9° | 109.4° |
| C32 | C31 | C36 | 120.3° | 120.0° |
| C31 | C36 | C27 | 120.7° | 120.0° |
| C31 | C36 | H361 | 119.7° | 120.0° |
| C05 | C22 | C21 | 120.1° | 120.1° |
| C05 | C22 | C23 | 120.7° | 120.0° |
| C22 | C05 | H051 | 119.6° | 120.2° |
| C28 | C27 | C36 | 118.7° | 120.0° |
| C28 | C27 | C26 | 123.5° | 120.0° |
| C27 | C28 | H281 | 119.6° | 120.0° |
| C36 | C27 | C26 | 117.8° | 120.0° |
| C27 | C36 | H361 | 119.7° | 120.0° |
| C20 | C21 | C22 | 119.5° | 120.5° |
| C21 | C20 | H201 | 120.0° | 119.9° |
| C20 | C21 | H211 | 120.3° | 119.7° |
| C27 | C26 | C25 | 110.5° | 110.4° |
| C27 | C26 | C37 | 117.0° | 110.3° |
| C27 | C26 | H261 | 109.5° | 110.3° |
| C21 | C22 | C23 | 119.2° | 119.9° |
| C22 | C21 | H211 | 120.3° | 119.8° |
| C22 | C23 | N24 | 120.6° | 120.0° |
| C22 | C23 | O43 | 119.7° | 120.0° |
| C26 | C25 | N24 | 105.7° | 104.6° |
| C25 | C26 | C37 | 102.8° | 105.0° |
| C25 | C26 | H261 | 108.7° | 110.4° |
| C26 | C25 | H252 | 110.4° | 110.4° |
| C26 | C25 | H251 | 110.4° | 110.4° |
| C25 | N24 | C23 | 127.4° | 127.8° |
| C25 | N24 | C42 | 107.2° | 104.3° |
| N24 | C25 | H252 | 110.4° | 110.4° |
| N24 | C25 | H251 | 110.4° | 110.4° |
| C26 | C37 | C42 | 104.5° | 105.0° |
| C26 | C37 | C38 | 107.9° | 110.3° |
| C37 | C26 | H261 | 108.0° | 110.3° |
| C26 | C37 | H371 | 109.2° | 110.4° |
| C23 | N24 | C42 | 125.3° | 127.9° |
| N24 | C23 | O43 | 119.7° | 120.0° |
| N24 | C42 | C37 | 108.1° | 104.6° |
| N24 | C42 | H422 | 109.8° | 110.4° |
| N24 | C42 | H421 | 109.8° | 110.5° |
| C42 | C37 | C38 | 112.7° | 110.3° |
| C42 | C37 | H371 | 113.4° | 110.4° |
| C37 | C42 | H422 | 109.8° | 110.4° |
| C37 | C42 | H421 | 109.8° | 110.4° |
| C37 | C38 | N39 | 123.7° | 120.0° |
| C37 | C38 | O41 | 119.1° | 120.0° |
| C38 | C37 | H371 | 108.9° | 110.4° |
| C40 | N39 | C38 | 123.0° | 120.0° |
| N39 | C40 | H402 | 109.5° | 109.5° |
| N39 | C40 | H401 | 109.5° | 109.5° |
| N39 | C40 | H403 | 109.5° | 109.5° |
| C40 | N39 | H391 | 118.5° | 120.0° |
| N39 | C38 | O41 | 117.2° | 120.0° |
| C38 | N39 | H391 | 118.5° | 120.0° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.4° | 110.5° |
| H402 | C40 | H401 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.4° | 109.5° |
| H401 | C40 | H403 | 109.5° | 109.4° |
| H422 | C42 | H421 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | N15 | 179.9° | 180.0° |
| C13 | C12 | C10 | H121 | 180.0° | 180.0° |
| C12 | C13 | C14 | C08 | 0.3° | 0.2° |
| C13 | C12 | C10 | CL11 | 180.0° | 179.9° |
| C13 | C12 | C10 | C09 | 0.1° | 0.3° |
| C13 | C14 | N15 | C08 | 179.8° | 179.8° |
| C13 | C14 | N15 | C16 | 179.9° | 180.0° |
| C14 | C13 | C12 | C10 | 0.1° | 0.0° |
| C13 | C14 | C08 | C09 | 0.3° | 0.2° |
| C13 | C14 | C08 | C07 | 179.3° | 179.7° |
| C14 | C13 | C12 | H121 | 179.9° | 180.0° |
| C47 | C46 | C45 | H461 | 180.0° | 180.0° |
| C46 | C47 | C48 | H471 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 0.4° | 0.0° |
| C46 | C47 | C48 | C53 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.0° | 0.0° |
| C47 | C46 | C45 | H451 | 179.6° | 180.0° |
| C45 | C46 | C47 | C48 | 0.1° | 0.0° |
| C46 | C45 | C44 | H451 | 180.0° | 180.0° |
| C46 | C45 | C44 | C49 | 0.6° | 0.0° |
| C46 | C45 | C44 | C02 | 179.8° | 179.7° |
| C45 | C46 | C47 | H471 | 179.8° | 180.0° |
| C14 | N15 | C16 | C17 | 0.2° | 0.5° |
| N15 | C14 | C08 | C09 | 179.9° | 180.0° |
| N15 | C14 | C08 | C07 | 0.9° | 0.1° |
| N15 | C14 | C13 | H131 | 0.1° | 0.0° |
| C14 | N15 | C16 | H161 | 179.8° | 179.9° |
| C16 | N15 | C14 | C08 | 0.1° | 0.2° |
| N15 | C16 | C17 | H161 | 180.0° | 179.5° |
| N15 | C16 | C17 | C07 | 1.1° | 0.5° |
| N15 | C16 | C17 | H171 | 178.9° | 179.5° |
| C47 | C48 | C53 | C49 | 180.0° | 179.9° |
| C47 | C48 | C53 | C52 | 180.0° | 180.0° |
| C47 | C48 | C49 | C44 | 0.1° | 0.1° |
| C47 | C48 | C49 | C50 | 179.9° | 179.8° |
| C48 | C47 | C46 | H461 | 179.8° | 180.0° |
| C47 | C48 | C53 | H531 | 0.0° | 0.0° |
| C12 | C10 | CL11 | C09 | 179.9° | 179.7° |
| C12 | C10 | C09 | C08 | 0.1° | 0.3° |
| C10 | C12 | C13 | H131 | 179.9° | 180.0° |
| C12 | C10 | C09 | H091 | 180.0° | 179.7° |
| C14 | C08 | C09 | C10 | 0.1° | 0.1° |
| C14 | C08 | C09 | C07 | 179.0° | 179.8° |
| C14 | C08 | C07 | C17 | 1.8° | 0.1° |
| C14 | C08 | C07 | C06 | 179.0° | 179.7° |
| C08 | C14 | C13 | H131 | 179.7° | 179.8° |
| C14 | C08 | C09 | H091 | 179.8° | 180.0° |
| C16 | C17 | C07 | C08 | 1.9° | 0.2° |
| C16 | C17 | C07 | H171 | 180.0° | 180.0° |
| C16 | C17 | C07 | C06 | 179.1° | 180.0° |
| C45 | C44 | C49 | C48 | 0.4° | 0.1° |
| C45 | C44 | C49 | C02 | 179.2° | 179.8° |
| C45 | C44 | C49 | C50 | 179.9° | 179.8° |
| C45 | C44 | C02 | C01 | 17.3° | 116.0° |
| C45 | C44 | C02 | N03 | 107.2° | 124.0° |
| C45 | C44 | C02 | H021 | 134.9° | 4.0° |
| C44 | C45 | C46 | H461 | 179.5° | 180.0° |
| CL11 | C10 | C09 | C08 | 180.0° | 180.0° |
| CL11 | C10 | C09 | H091 | 0.1° | 0.1° |
| CL11 | C10 | C12 | H121 | 0.1° | 0.0° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 179.1° | 179.9° |
| C09 | C10 | C12 | H121 | 180.0° | 179.7° |
| C48 | C53 | C52 | H531 | 180.0° | 180.0° |
| C53 | C48 | C49 | C44 | 179.8° | 180.0° |
| C53 | C48 | C49 | C50 | 0.1° | 0.3° |
| C48 | C53 | C52 | C51 | 0.0° | 0.3° |
| C53 | C48 | C47 | H471 | 0.0° | 0.0° |
| C48 | C53 | C52 | H521 | 180.0° | 179.9° |
| C49 | C48 | C53 | C52 | 0.0° | 0.0° |
| C48 | C49 | C44 | C50 | 179.7° | 179.7° |
| C48 | C49 | C44 | C02 | 179.7° | 179.7° |
| C48 | C49 | C50 | C51 | 0.3° | 0.3° |
| C49 | C48 | C47 | H471 | 180.0° | 180.0° |
| C48 | C49 | C50 | H501 | 179.7° | 179.7° |
| C49 | C48 | C53 | H531 | 180.0° | 180.0° |
| C53 | C52 | C51 | H521 | 180.0° | 179.7° |
| C53 | C52 | C51 | C50 | 0.1° | 0.3° |
| C53 | C52 | C51 | H511 | 179.9° | 179.7° |
| C09 | C08 | C07 | C17 | 179.3° | 180.0° |
| C09 | C08 | C07 | C06 | 2.0° | 0.1° |
| C08 | C07 | C17 | C06 | 177.2° | 179.8° |
| C08 | C07 | C06 | N03 | 90.1° | 132.3° |
| C08 | C07 | C06 | N18 | 87.8° | 48.7° |
| C08 | C07 | C17 | H171 | 178.1° | 179.8° |
| C07 | C08 | C09 | H091 | 0.9° | 0.1° |
| C17 | C07 | C06 | N03 | 92.7° | 47.9° |
| C17 | C07 | C06 | N18 | 89.4° | 131.1° |
| C07 | C17 | C16 | H161 | 178.9° | 179.9° |
| C49 | C44 | C02 | C01 | 161.9° | 64.2° |
| C49 | C44 | C02 | N03 | 73.6° | 55.8° |
| C44 | C49 | C50 | C51 | 180.0° | 180.0° |
| C49 | C44 | C02 | H021 | 44.3° | 175.8° |
| C49 | C44 | C45 | H451 | 179.4° | 179.9° |
| C44 | C49 | C50 | H501 | 0.0° | 0.0° |
| C02 | C44 | C49 | C50 | 0.6° | 0.0° |
| C44 | C02 | C01 | N03 | 127.1° | 120.0° |
| C44 | C02 | C01 | H021 | 117.4° | 120.1° |
| C44 | C02 | N03 | H021 | 117.4° | 120.0° |
| C44 | C02 | N03 | C06 | 55.1° | 57.9° |
| C44 | C02 | N03 | C04 | 126.5° | 121.0° |
| C44 | C02 | C01 | H011 | 180.0° | 62.4° |
| C44 | C02 | C01 | H013 | 60.0° | 57.6° |
| C44 | C02 | C01 | H012 | 60.0° | 177.6° |
| C02 | C44 | C45 | H451 | 0.2° | 0.3° |
| C49 | C50 | C51 | C52 | 0.3° | 0.0° |
| C49 | C50 | C51 | H501 | 180.0° | 180.0° |
| C49 | C50 | C51 | H511 | 179.7° | 180.0° |
| C07 | C06 | N03 | C02 | 2.4° | 0.9° |
| C07 | C06 | N03 | N18 | 178.0° | 179.1° |
| C07 | C06 | N03 | C04 | 179.0° | 180.0° |
| C07 | C06 | N18 | C19 | 179.2° | 179.7° |
| C06 | C07 | C17 | H171 | 0.9° | 0.0° |
| C52 | C51 | C50 | H511 | 180.0° | 180.0° |
| C52 | C51 | C50 | H501 | 179.7° | 180.0° |
| C51 | C52 | C53 | H531 | 180.0° | 179.8° |
| C01 | C02 | N03 | H021 | 115.1° | 119.9° |
| C01 | C02 | N03 | C06 | 72.4° | 178.0° |
| C01 | C02 | N03 | C04 | 106.0° | 0.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | N03 | C06 | C04 | 178.7° | 179.1° |
| C02 | N03 | C06 | N18 | 179.6° | 179.9° |
| C02 | N03 | C04 | C19 | 179.4° | 179.9° |
| C02 | N03 | C04 | C05 | 0.5° | 0.7° |
| N03 | C02 | C01 | H011 | 52.9° | 177.6° |
| N03 | C02 | C01 | H013 | 172.9° | 62.4° |
| N03 | C02 | C01 | H012 | 67.1° | 57.6° |
| C50 | C51 | C52 | H521 | 179.9° | 180.0° |
| N03 | C06 | N18 | C19 | 0.9° | 0.6° |
| C06 | N03 | C04 | C19 | 0.6° | 0.8° |
| C06 | N03 | C04 | C05 | 179.2° | 179.8° |
| C06 | N03 | C02 | H021 | 172.5° | 62.1° |
| N18 | C06 | N03 | C04 | 0.9° | 0.9° |
| C06 | N18 | C19 | C04 | 0.5° | 0.0° |
| C06 | N18 | C19 | C20 | 179.7° | 179.4° |
| N03 | C04 | C19 | N18 | 0.1° | 0.5° |
| N03 | C04 | C19 | C05 | 179.9° | 179.5° |
| N03 | C04 | C19 | C20 | 179.8° | 180.0° |
| N03 | C04 | C05 | C22 | 179.8° | 179.5° |
| C04 | N03 | C02 | H021 | 9.1° | 119.0° |
| N03 | C04 | C05 | H051 | 0.2° | 0.7° |
| N18 | C19 | C04 | C20 | 179.9° | 179.5° |
| N18 | C19 | C04 | C05 | 179.8° | 180.0° |
| N18 | C19 | C20 | C21 | 179.9° | 179.9° |
| N18 | C19 | C20 | H201 | 0.1° | 0.4° |
| F35 | C32 | C31 | C30 | 90.0° | 120.0° |
| F35 | C32 | F34 | C31 | 120.3° | 120.0° |
| F35 | C32 | F34 | F33 | 119.3° | 120.0° |
| F35 | C32 | C31 | F33 | 120.0° | 120.0° |
| F35 | C32 | C31 | C36 | 90.0° | 60.2° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C30 | C29 | C28 | H291 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 180.0° | 180.0° |
| C29 | C30 | C31 | C36 | 0.1° | 0.2° |
| C30 | C29 | C28 | C27 | 0.5° | 0.0° |
| C30 | C29 | C28 | H281 | 179.5° | 179.7° |
| C30 | C31 | C32 | F34 | 30.0° | 120.0° |
| C31 | C30 | C29 | C28 | 0.1° | 0.1° |
| C30 | C31 | C32 | C36 | 179.9° | 179.8° |
| C30 | C31 | C32 | F33 | 150.0° | 0.0° |
| C30 | C31 | C36 | C27 | 0.1° | 0.5° |
| C31 | C30 | C29 | H291 | 179.9° | 180.0° |
| C30 | C31 | C36 | H361 | 179.8° | 180.0° |
| F34 | C32 | C31 | F33 | 120.0° | 120.0° |
| F34 | C32 | C31 | C36 | 150.0° | 59.8° |
| C19 | C04 | C05 | C22 | 0.3° | 0.2° |
| C04 | C19 | C20 | C21 | 0.1° | 0.5° |
| C04 | C19 | C20 | H201 | 179.9° | 179.7° |
| C19 | C04 | C05 | H051 | 179.7° | 180.0° |
| C05 | C04 | C19 | C20 | 0.4° | 0.5° |
| C04 | C05 | C22 | H051 | 180.0° | 179.8° |
| C04 | C05 | C22 | C21 | 0.0° | 0.0° |
| C04 | C05 | C22 | C23 | 179.0° | 180.0° |
| C29 | C28 | C27 | H281 | 180.0° | 179.8° |
| C29 | C28 | C27 | C36 | 0.6° | 0.2° |
| C29 | C28 | C27 | C26 | 179.8° | 179.7° |
| C28 | C29 | C30 | H301 | 179.9° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | H211 | 179.8° | 179.8° |
| C32 | C31 | C36 | C27 | 179.8° | 179.7° |
| C32 | C31 | C30 | H301 | 0.0° | 0.1° |
| C32 | C31 | C36 | H361 | 0.2° | 0.2° |
| F33 | C32 | C31 | C36 | 30.0° | 179.8° |
| C31 | C36 | C27 | C28 | 0.5° | 0.5° |
| C31 | C36 | C27 | H361 | 180.0° | 179.5° |
| C31 | C36 | C27 | C26 | 179.7° | 179.4° |
| C36 | C31 | C30 | H301 | 179.9° | 179.8° |
| C05 | C22 | C21 | C20 | 0.2° | 0.0° |
| C05 | C22 | C21 | C23 | 179.1° | 180.0° |
| C05 | C22 | C23 | N24 | 58.9° | 149.5° |
| C05 | C22 | C23 | O43 | 122.6° | 30.6° |
| C05 | C22 | C21 | H211 | 179.7° | 180.0° |
| C28 | C27 | C36 | C26 | 179.2° | 179.9° |
| C28 | C27 | C26 | C25 | 75.1° | 55.5° |
| C28 | C27 | C26 | C37 | 42.0° | 60.0° |
| C28 | C27 | C26 | H261 | 165.2° | 177.8° |
| C27 | C28 | C29 | H291 | 179.5° | 180.0° |
| C28 | C27 | C36 | H361 | 179.5° | 180.0° |
| C36 | C27 | C26 | C25 | 104.0° | 124.4° |
| C36 | C27 | C26 | C37 | 138.9° | 120.0° |
| C36 | C27 | C26 | H261 | 15.6° | 2.1° |
| C36 | C27 | C28 | H281 | 179.4° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.3° | 179.9° |
| C27 | C26 | C25 | C37 | 125.6° | 118.8° |
| C27 | C26 | C25 | H261 | 120.1° | 122.3° |
| C27 | C26 | C25 | N24 | 158.4° | 142.7° |
| C27 | C26 | C37 | H261 | 124.0° | 122.1° |
| C27 | C26 | C37 | C42 | 153.9° | 119.0° |
| C27 | C26 | C37 | C38 | 86.0° | 122.2° |
| C26 | C27 | C28 | H281 | 0.2° | 0.1° |
| C27 | C26 | C25 | H252 | 39.0° | 24.0° |
| C27 | C26 | C25 | H251 | 82.2° | 98.5° |
| C26 | C27 | C36 | H361 | 0.3° | 0.1° |
| C27 | C26 | C37 | H371 | 32.3° | 0.1° |
| C21 | C22 | C23 | N24 | 120.2° | 30.4° |
| C21 | C22 | C23 | O43 | 58.3° | 149.5° |
| C22 | C21 | C20 | H201 | 179.8° | 180.0° |
| C21 | C22 | C05 | H051 | 180.0° | 179.8° |
| C22 | C23 | N24 | C25 | 1.4° | 3.3° |
| C22 | C23 | N24 | O43 | 178.5° | 179.9° |
| C22 | C23 | N24 | C42 | 179.7° | 176.6° |
| C23 | C22 | C21 | H211 | 0.7° | 0.0° |
| C23 | C22 | C05 | H051 | 1.0° | 0.2° |
| C26 | C25 | N24 | H252 | 119.4° | 118.7° |
| C26 | C25 | N24 | H251 | 119.4° | 118.8° |
| C25 | C26 | C37 | H261 | 114.8° | 118.9° |
| C26 | C25 | N24 | C23 | 159.7° | 140.4° |
| C26 | C25 | N24 | C42 | 21.2° | 39.6° |
| C25 | C26 | C37 | C42 | 32.6° | 0.1° |
| C25 | C26 | C37 | C38 | 152.8° | 118.9° |
| C26 | C25 | H252 | H251 | 121.8° | 122.4° |
| C25 | C26 | C37 | H371 | 89.0° | 118.9° |
| N24 | C25 | C26 | C37 | 32.8° | 23.9° |
| C25 | N24 | C23 | C42 | 178.9° | 179.9° |
| C25 | N24 | C23 | O43 | 179.9° | 176.7° |
| C25 | N24 | C42 | C37 | 0.1° | 39.5° |
| N24 | C25 | C26 | H261 | 81.5° | 95.0° |
| N24 | C25 | H252 | H251 | 121.8° | 122.4° |
| C25 | N24 | C42 | H422 | 119.7° | 158.4° |
| C25 | N24 | C42 | H421 | 119.9° | 79.2° |
| C26 | C37 | C42 | N24 | 20.2° | 23.8° |
| C26 | C37 | C42 | C38 | 116.8° | 118.8° |
| C26 | C37 | C42 | H371 | 118.9° | 118.9° |
| C26 | C37 | C38 | H371 | 118.4° | 122.3° |
| C26 | C37 | C38 | N39 | 120.5° | 180.0° |
| C26 | C37 | C38 | O41 | 58.4° | 0.0° |
| C37 | C26 | C25 | H252 | 86.6° | 94.8° |
| C37 | C26 | C25 | H251 | 152.2° | 142.7° |
| C26 | C37 | C42 | H422 | 140.0° | 142.6° |
| C26 | C37 | C42 | H421 | 99.6° | 95.1° |
| C23 | N24 | C42 | C37 | 179.1° | 140.4° |
| C23 | N24 | C25 | H252 | 80.8° | 100.9° |
| C23 | N24 | C25 | H251 | 40.3° | 21.6° |
| C23 | N24 | C42 | H422 | 59.3° | 21.5° |
| C23 | N24 | C42 | H421 | 61.1° | 100.8° |
| C42 | N24 | C23 | O43 | 1.2° | 3.4° |
| N24 | C42 | C37 | H422 | 119.8° | 118.8° |
| N24 | C42 | C37 | H421 | 119.8° | 118.9° |
| N24 | C42 | C37 | C38 | 137.1° | 95.0° |
| C42 | N24 | C25 | H252 | 98.2° | 79.2° |
| C42 | N24 | C25 | H251 | 140.7° | 158.3° |
| N24 | C42 | C37 | H371 | 98.6° | 142.7° |
| N24 | C42 | H422 | H421 | 120.6° | 122.4° |
| C42 | C37 | C38 | H371 | 126.7° | 122.2° |
| C42 | C37 | C38 | N39 | 124.6° | 64.5° |
| C42 | C37 | C38 | O41 | 56.5° | 115.5° |
| C42 | C37 | C26 | H261 | 82.1° | 118.9° |
| C37 | C42 | H422 | H421 | 120.6° | 122.3° |
| C37 | C38 | N39 | C40 | 0.5° | 180.0° |
| C37 | C38 | N39 | O41 | 179.0° | 180.0° |
| C38 | C37 | C26 | H261 | 38.0° | 0.1° |
| C38 | C37 | C42 | H422 | 103.1° | 23.8° |
| C38 | C37 | C42 | H421 | 17.3° | 146.1° |
| C37 | C38 | N39 | H391 | 179.6° | 0.0° |
| C40 | N39 | C38 | H391 | 180.0° | 180.0° |
| C40 | N39 | C38 | O41 | 179.4° | 0.0° |
| N39 | C40 | H402 | H401 | 120.0° | 120.0° |
| N39 | C40 | H402 | H403 | 120.0° | 120.0° |
| N39 | C40 | H401 | H403 | 120.0° | 119.9° |
| N39 | C38 | C37 | H371 | 2.1° | 57.8° |
| C38 | N39 | C40 | H402 | 180.0° | 60.0° |
| C38 | N39 | C40 | H401 | 60.0° | 180.0° |
| C38 | N39 | C40 | H403 | 60.0° | 60.1° |
| O41 | C38 | C37 | H371 | 176.8° | 122.2° |
| O41 | C38 | N39 | H391 | 0.6° | 180.0° |
| H131 | C13 | C12 | H121 | 0.1° | 0.1° |
| H171 | C17 | C16 | H161 | 1.2° | 0.0° |
| H201 | C20 | C21 | H211 | 0.2° | 0.0° |
| H261 | C26 | C25 | H252 | 159.1° | 146.3° |
| H261 | C26 | C25 | H251 | 38.0° | 23.8° |
| H261 | C26 | C37 | H371 | 156.2° | 122.2° |
| H281 | C28 | C29 | H291 | 0.4° | 0.3° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 62.6° | 57.7° |
| H013 | C01 | C02 | H021 | 57.4° | 177.7° |
| H012 | C01 | C02 | H021 | 177.4° | 62.3° |
| H291 | C29 | C30 | H301 | 0.1° | 0.0° |
| H371 | C37 | C42 | H422 | 21.2° | 98.5° |
| H371 | C37 | C42 | H421 | 141.6° | 23.9° |
| H402 | C40 | H401 | H403 | 119.9° | 120.1° |
| H402 | C40 | N39 | H391 | 0.0° | 120.0° |
| H401 | C40 | N39 | H391 | 120.0° | 0.0° |
| H403 | C40 | N39 | H391 | 120.0° | 120.0° |
| H451 | C45 | C46 | H461 | 0.5° | 0.0° |
| H461 | C46 | C47 | H471 | 0.2° | 0.0° |
| H501 | C50 | C51 | H511 | 0.3° | 0.0° |
| H511 | C51 | C52 | H521 | 0.1° | 0.0° |
| H521 | C52 | C53 | H531 | 0.0° | 0.1° |
