A1JL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.47Å | 1.43Å | |
| C03 | N02 | sing | 1.35Å | 1.43Å | |
| O04 | C03 | doub | 1.21Å | 1.22Å | |
| C05 | C03 | sing | 1.51Å | 1.52Å | |
| S06 | C05 | sing | 1.81Å | 1.79Å | |
| C07 | S06 | sing | 1.76Å | 1.77Å | |
| N08 | C07 | doub | 1.31Å | 1.34Å | Aromatic |
| N09 | N08 | sing | 1.29Å | 1.35Å | Aromatic |
| C10 | N09 | doub | 1.30Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| F16 | C15 | sing | 1.35Å | 1.34Å | |
| C17 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| F19 | C18 | sing | 1.35Å | 1.34Å | |
| C20 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| N21 | C11 | sing | 1.46Å | 1.43Å | |
| C22 | N21 | sing | 1.35Å | 1.42Å | |
| O23 | C22 | doub | 1.21Å | 1.21Å | |
| C24 | C22 | sing | 1.51Å | 1.52Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | doub | 1.34Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| N28 | C26 | sing | 1.37Å | 1.34Å | Aromatic |
| C29 | N28 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| F33 | C32 | sing | 1.35Å | 1.33Å | |
| C34 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| N36 | C10 | sing | 1.37Å | 1.34Å | Aromatic |
| C37 | N36 | sing | 1.40Å | 1.35Å | |
| C38 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C40 | sing | 1.51Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C45 | C43 | sing | 1.53Å | 1.52Å | |
| C46 | C43 | sing | 1.53Å | 1.51Å | |
| C07 | N36 | sing | 1.37Å | 1.34Å | Aromatic |
| C13 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C35 | sing | 1.46Å | 1.42Å | Aromatic |
| C29 | C35 | doub | 1.41Å | 1.37Å | Aromatic |
| C37 | C42 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 121.7° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.4° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| C01 | N02 | H021 | 119.2° | 120.0° |
| N02 | C03 | O04 | 120.8° | 120.0° |
| N02 | C03 | C05 | 119.7° | 120.0° |
| C03 | N02 | H021 | 119.2° | 120.0° |
| O04 | C03 | C05 | 119.5° | 120.0° |
| C03 | C05 | S06 | 112.5° | 109.4° |
| C03 | C05 | H051 | 108.7° | 109.5° |
| C03 | C05 | H052 | 108.7° | 109.5° |
| C05 | S06 | C07 | 110.4° | 100.0° |
| S06 | C05 | H051 | 108.7° | 109.5° |
| S06 | C05 | H052 | 108.7° | 109.5° |
| S06 | C07 | N08 | 124.8° | 126.5° |
| S06 | C07 | N36 | 126.5° | 126.5° |
| C07 | N08 | N09 | 107.6° | 109.9° |
| N08 | C07 | N36 | 108.7° | 107.0° |
| N08 | N09 | C10 | 107.6° | 110.1° |
| N09 | C10 | C11 | 125.7° | 126.3° |
| N09 | C10 | N36 | 108.9° | 107.3° |
| C12 | C13 | C14 | 119.1° | 120.0° |
| C13 | C12 | C11 | 110.3° | 109.5° |
| C12 | C13 | C20 | 120.1° | 120.0° |
| C13 | C12 | H121 | 109.3° | 109.5° |
| C13 | C12 | H122 | 109.3° | 109.4° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | C20 | 120.7° | 120.1° |
| C13 | C14 | H141 | 120.0° | 120.0° |
| C14 | C15 | F16 | 118.9° | 120.0° |
| C14 | C15 | C17 | 119.9° | 120.0° |
| C15 | C14 | H141 | 120.0° | 120.0° |
| F16 | C15 | C17 | 121.1° | 120.1° |
| C15 | C17 | C18 | 119.8° | 120.0° |
| C15 | C17 | H171 | 120.1° | 120.0° |
| C17 | C18 | F19 | 120.6° | 120.1° |
| C17 | C18 | C20 | 120.2° | 120.0° |
| C18 | C17 | H171 | 120.1° | 120.0° |
| F19 | C18 | C20 | 119.1° | 120.0° |
| C18 | C20 | C13 | 119.3° | 120.0° |
| C18 | C20 | H201 | 120.4° | 120.0° |
| C12 | C11 | N21 | 109.0° | 109.5° |
| C12 | C11 | C10 | 109.3° | 109.5° |
| C12 | C11 | H1 | 109.1° | 109.4° |
| C11 | C12 | H121 | 109.3° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.5° |
| C11 | N21 | C22 | 122.9° | 120.0° |
| N21 | C11 | C10 | 110.0° | 109.5° |
| N21 | C11 | H1 | 110.3° | 109.4° |
| C11 | N21 | H211 | 118.5° | 120.0° |
| N21 | C22 | O23 | 120.7° | 120.0° |
| N21 | C22 | C24 | 118.2° | 120.0° |
| C22 | N21 | H211 | 118.6° | 120.0° |
| O23 | C22 | C24 | 121.1° | 120.0° |
| C22 | C24 | C25 | 115.2° | 109.5° |
| C22 | C24 | H241 | 108.0° | 109.5° |
| C22 | C24 | H242 | 108.0° | 109.5° |
| C24 | C25 | C26 | 127.7° | 126.6° |
| C24 | C25 | C35 | 124.5° | 126.4° |
| C25 | C24 | H241 | 108.0° | 109.5° |
| C25 | C24 | H242 | 108.0° | 109.4° |
| C25 | C26 | C27 | 126.6° | 125.0° |
| C25 | C26 | N28 | 107.7° | 110.0° |
| C26 | C25 | C35 | 107.7° | 107.0° |
| C27 | C26 | N28 | 125.7° | 125.0° |
| C26 | C27 | H271 | 109.5° | 109.5° |
| C26 | C27 | H272 | 109.4° | 109.5° |
| C26 | C27 | H273 | 109.5° | 109.5° |
| C26 | N28 | C29 | 109.6° | 109.8° |
| C26 | N28 | H281 | 125.2° | 125.1° |
| N28 | C29 | C30 | 131.7° | 133.4° |
| N28 | C29 | C35 | 108.6° | 107.1° |
| C29 | N28 | H281 | 125.2° | 125.1° |
| C29 | C30 | C31 | 119.8° | 119.9° |
| C30 | C29 | C35 | 119.7° | 119.5° |
| C29 | C30 | H301 | 120.1° | 120.0° |
| C30 | C31 | C32 | 120.0° | 120.7° |
| C31 | C30 | H301 | 120.1° | 120.1° |
| C30 | C31 | H311 | 120.0° | 119.6° |
| C31 | C32 | F33 | 120.3° | 119.9° |
| C31 | C32 | C34 | 120.5° | 120.3° |
| C32 | C31 | H311 | 120.0° | 119.7° |
| F33 | C32 | C34 | 119.2° | 119.8° |
| C32 | C34 | C35 | 119.5° | 119.7° |
| C32 | C34 | H341 | 120.3° | 120.2° |
| C34 | C35 | C25 | 133.1° | 134.0° |
| C34 | C35 | C29 | 120.5° | 119.9° |
| C35 | C34 | H341 | 120.2° | 120.2° |
| C11 | C10 | N36 | 125.2° | 126.4° |
| C10 | C11 | H1 | 109.1° | 109.5° |
| C10 | N36 | C37 | 124.4° | 127.2° |
| C10 | N36 | C07 | 107.1° | 105.6° |
| N36 | C37 | C38 | 118.5° | 120.1° |
| C37 | N36 | C07 | 128.3° | 127.2° |
| N36 | C37 | C42 | 121.6° | 120.1° |
| C37 | C38 | C39 | 120.1° | 119.9° |
| C38 | C37 | C42 | 119.8° | 119.9° |
| C37 | C38 | H381 | 119.9° | 120.1° |
| C38 | C39 | C40 | 120.5° | 120.1° |
| C39 | C38 | H381 | 120.0° | 120.0° |
| C38 | C39 | H391 | 119.8° | 120.0° |
| C39 | C40 | C41 | 119.1° | 120.1° |
| C39 | C40 | C43 | 121.8° | 120.0° |
| C40 | C39 | H391 | 119.8° | 119.9° |
| C42 | C41 | C40 | 120.4° | 120.1° |
| C41 | C42 | C37 | 120.0° | 119.9° |
| C42 | C41 | H411 | 119.8° | 119.9° |
| C41 | C42 | H421 | 120.0° | 120.1° |
| C41 | C40 | C43 | 119.1° | 120.0° |
| C40 | C41 | H411 | 119.8° | 120.0° |
| C40 | C43 | C44 | 112.9° | 109.5° |
| C40 | C43 | C45 | 108.8° | 109.5° |
| C40 | C43 | C46 | 109.0° | 109.5° |
| C44 | C43 | C45 | 108.7° | 109.5° |
| C44 | C43 | C46 | 108.6° | 109.5° |
| C43 | C44 | H441 | 109.5° | 109.5° |
| C43 | C44 | H442 | 109.5° | 109.5° |
| C43 | C44 | H443 | 109.4° | 109.5° |
| C45 | C43 | C46 | 108.8° | 109.5° |
| C43 | C45 | H451 | 109.5° | 109.5° |
| C43 | C45 | H452 | 109.5° | 109.5° |
| C43 | C45 | H453 | 109.5° | 109.5° |
| C43 | C46 | H461 | 109.5° | 109.5° |
| C43 | C46 | H462 | 109.4° | 109.5° |
| C43 | C46 | H463 | 109.5° | 109.5° |
| C13 | C20 | H201 | 120.3° | 120.0° |
| C25 | C35 | C29 | 106.3° | 106.1° |
| C37 | C42 | H421 | 120.0° | 120.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.4° | 109.4° |
| H441 | C44 | H443 | 109.5° | 109.4° |
| H442 | C44 | H443 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.5° | 109.4° |
| H452 | C45 | H453 | 109.4° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.4° |
| H461 | C46 | H463 | 109.5° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | H021 | 180.0° | 179.9° |
| C01 | N02 | C03 | O04 | 0.8° | 0.0° |
| C01 | N02 | C03 | C05 | 179.2° | 180.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C03 | O04 | C05 | 178.4° | 180.0° |
| N02 | C03 | C05 | S06 | 59.8° | 180.0° |
| C03 | N02 | C01 | H011 | 180.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 60.0° |
| C03 | N02 | C01 | H013 | 60.0° | 180.0° |
| N02 | C03 | C05 | H051 | 60.6° | 60.1° |
| N02 | C03 | C05 | H052 | 179.7° | 60.0° |
| O04 | C03 | C05 | S06 | 121.8° | 0.0° |
| O04 | C03 | N02 | H021 | 179.2° | 180.0° |
| O04 | C03 | C05 | H051 | 117.8° | 120.0° |
| O04 | C03 | C05 | H052 | 1.3° | 120.0° |
| C03 | C05 | S06 | H051 | 120.4° | 120.0° |
| C03 | C05 | S06 | H052 | 120.4° | 120.0° |
| C03 | C05 | S06 | C07 | 32.0° | 180.0° |
| C05 | C03 | N02 | H021 | 0.8° | 0.0° |
| C03 | C05 | H051 | H052 | 118.6° | 120.0° |
| C05 | S06 | C07 | N08 | 104.0° | 0.3° |
| C05 | S06 | C07 | N36 | 76.3° | 180.0° |
| S06 | C05 | H051 | H052 | 118.7° | 120.0° |
| S06 | C07 | N08 | N36 | 179.7° | 179.7° |
| S06 | C07 | N08 | N09 | 180.0° | 180.0° |
| S06 | C07 | N36 | C10 | 178.4° | 179.9° |
| S06 | C07 | N36 | C37 | 3.6° | 0.1° |
| C07 | S06 | C05 | H051 | 152.5° | 60.0° |
| C07 | S06 | C05 | H052 | 88.4° | 60.0° |
| C07 | N08 | N09 | C10 | 1.5° | 0.0° |
| N08 | C07 | N36 | C10 | 1.9° | 0.4° |
| N08 | C07 | N36 | C37 | 176.7° | 179.8° |
| N08 | N09 | C10 | C11 | 178.2° | 180.0° |
| N08 | N09 | C10 | N36 | 2.7° | 0.3° |
| N09 | N08 | C07 | N36 | 0.3° | 0.3° |
| N09 | C10 | C11 | C12 | 76.5° | 74.9° |
| N09 | C10 | C11 | N21 | 43.2° | 45.1° |
| N09 | C10 | C11 | N36 | 174.9° | 179.6° |
| N09 | C10 | N36 | C37 | 177.9° | 179.7° |
| N09 | C10 | N36 | C07 | 2.8° | 0.5° |
| N09 | C10 | C11 | H1 | 164.3° | 165.1° |
| C12 | C13 | C14 | C20 | 177.9° | 179.6° |
| C12 | C13 | C14 | C15 | 178.1° | 179.9° |
| C12 | C13 | C20 | C18 | 179.4° | 179.8° |
| C13 | C12 | C11 | H121 | 120.2° | 120.0° |
| C13 | C12 | C11 | H122 | 120.1° | 120.0° |
| C13 | C12 | C11 | N21 | 84.6° | 65.4° |
| C13 | C12 | C11 | C10 | 155.1° | 174.6° |
| C13 | C12 | C11 | H1 | 35.9° | 54.5° |
| C13 | C12 | H121 | H122 | 119.6° | 119.9° |
| C12 | C13 | C14 | H141 | 1.9° | 0.1° |
| C12 | C13 | C20 | H201 | 0.6° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | F16 | 179.5° | 180.0° |
| C13 | C14 | C15 | C17 | 1.0° | 0.0° |
| C14 | C13 | C20 | C18 | 1.5° | 0.5° |
| C14 | C13 | C12 | C11 | 92.2° | 83.9° |
| C14 | C13 | C12 | H121 | 147.6° | 156.1° |
| C14 | C13 | C12 | H122 | 27.9° | 36.2° |
| C14 | C13 | C20 | H201 | 178.5° | 179.7° |
| C14 | C15 | F16 | C17 | 178.5° | 180.0° |
| C14 | C15 | C17 | C18 | 0.9° | 0.1° |
| C15 | C14 | C13 | C20 | 0.2° | 0.3° |
| C14 | C15 | C17 | H171 | 179.1° | 180.0° |
| F16 | C15 | C17 | C18 | 179.4° | 180.0° |
| F16 | C15 | C14 | H141 | 0.5° | 0.0° |
| F16 | C15 | C17 | H171 | 0.6° | 0.0° |
| C15 | C17 | C18 | H171 | 180.0° | 180.0° |
| C15 | C17 | C18 | F19 | 178.5° | 180.0° |
| C15 | C17 | C18 | C20 | 0.4° | 0.2° |
| C17 | C15 | C14 | H141 | 179.0° | 180.0° |
| C17 | C18 | F19 | C20 | 178.2° | 179.8° |
| C17 | C18 | C20 | C13 | 1.6° | 0.5° |
| C17 | C18 | C20 | H201 | 178.4° | 179.7° |
| F19 | C18 | C20 | C13 | 179.8° | 179.7° |
| F19 | C18 | C17 | H171 | 1.5° | 0.0° |
| F19 | C18 | C20 | H201 | 0.2° | 0.1° |
| C18 | C20 | C13 | H201 | 180.0° | 179.8° |
| C20 | C18 | C17 | H171 | 179.6° | 179.8° |
| C12 | C11 | N21 | C10 | 119.8° | 120.1° |
| C12 | C11 | N21 | H1 | 119.7° | 119.9° |
| C12 | C11 | N21 | C22 | 139.3° | 153.6° |
| C12 | C11 | C10 | H1 | 119.2° | 120.0° |
| C12 | C11 | C10 | N36 | 98.4° | 104.6° |
| C11 | C12 | C13 | C20 | 85.7° | 95.8° |
| C11 | C12 | H121 | H122 | 119.6° | 120.0° |
| C12 | C11 | N21 | H211 | 40.7° | 26.3° |
| C11 | N21 | C22 | H211 | 180.0° | 179.9° |
| C11 | N21 | C22 | O23 | 1.2° | 5.1° |
| C11 | N21 | C22 | C24 | 179.9° | 174.8° |
| N21 | C11 | C10 | H1 | 121.1° | 120.0° |
| N21 | C11 | C10 | N36 | 141.9° | 135.3° |
| N21 | C11 | C12 | H121 | 155.2° | 54.6° |
| N21 | C11 | C12 | H122 | 35.5° | 174.6° |
| N21 | C22 | O23 | C24 | 178.9° | 179.9° |
| N21 | C22 | C24 | C25 | 119.9° | 174.8° |
| C22 | N21 | C11 | C10 | 100.9° | 86.3° |
| C22 | N21 | C11 | H1 | 19.5° | 33.7° |
| N21 | C22 | C24 | H241 | 119.3° | 54.8° |
| N21 | C22 | C24 | H242 | 1.0° | 65.3° |
| O23 | C22 | C24 | C25 | 61.2° | 5.1° |
| O23 | C22 | N21 | H211 | 178.8° | 174.9° |
| O23 | C22 | C24 | H241 | 59.6° | 125.1° |
| O23 | C22 | C24 | H242 | 177.9° | 114.8° |
| C22 | C24 | C25 | H241 | 120.9° | 120.0° |
| C22 | C24 | C25 | H242 | 120.8° | 120.0° |
| C22 | C24 | C25 | C26 | 85.4° | 86.2° |
| C22 | C24 | C25 | C35 | 99.2° | 93.5° |
| C24 | C22 | N21 | H211 | 0.1° | 5.2° |
| C22 | C24 | H241 | H242 | 117.4° | 120.0° |
| C24 | C25 | C26 | C35 | 176.1° | 179.7° |
| C24 | C25 | C26 | C27 | 4.1° | 0.0° |
| C24 | C25 | C26 | N28 | 177.1° | 180.0° |
| C24 | C25 | C35 | C34 | 2.9° | 0.8° |
| C24 | C25 | C35 | C29 | 177.3° | 179.8° |
| C25 | C24 | H241 | H242 | 117.4° | 120.0° |
| C25 | C26 | C27 | N28 | 178.6° | 180.0° |
| C25 | C26 | N28 | C29 | 0.6° | 0.0° |
| C26 | C25 | C35 | C34 | 179.1° | 179.4° |
| C26 | C25 | C35 | C29 | 1.1° | 0.4° |
| C26 | C25 | C24 | H241 | 153.8° | 153.7° |
| C26 | C25 | C24 | H242 | 35.5° | 33.7° |
| C25 | C26 | C27 | H271 | 89.3° | 94.3° |
| C25 | C26 | C27 | H272 | 150.7° | 145.7° |
| C25 | C26 | C27 | H273 | 30.7° | 25.7° |
| C25 | C26 | N28 | H281 | 179.5° | 180.0° |
| C27 | C26 | N28 | C29 | 179.3° | 180.0° |
| C27 | C26 | C25 | C35 | 179.8° | 179.7° |
| C26 | C27 | H271 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H273 | 120.0° | 120.0° |
| C26 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | C26 | N28 | H281 | 0.7° | 0.0° |
| C26 | N28 | C29 | H281 | 180.0° | 180.0° |
| C26 | N28 | C29 | C30 | 179.6° | 180.0° |
| N28 | C26 | C25 | C35 | 1.0° | 0.3° |
| C26 | N28 | C29 | C35 | 0.1° | 0.3° |
| N28 | C26 | C27 | H271 | 89.3° | 85.6° |
| N28 | C26 | C27 | H272 | 30.7° | 34.3° |
| N28 | C26 | C27 | H273 | 150.7° | 154.4° |
| N28 | C29 | C30 | C35 | 179.7° | 179.7° |
| N28 | C29 | C30 | C31 | 180.0° | 180.0° |
| N28 | C29 | C35 | C34 | 179.4° | 179.6° |
| N28 | C29 | C35 | C25 | 0.7° | 0.4° |
| N28 | C29 | C30 | H301 | 0.0° | 0.1° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 1.0° | 0.0° |
| C30 | C29 | C35 | C34 | 0.9° | 0.6° |
| C30 | C29 | C35 | C25 | 179.0° | 179.8° |
| C30 | C29 | N28 | H281 | 0.5° | 0.0° |
| C29 | C30 | C31 | H311 | 179.1° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | F33 | 179.5° | 180.0° |
| C30 | C31 | C32 | C34 | 1.7° | 0.0° |
| C31 | C30 | C29 | C35 | 0.3° | 0.3° |
| C31 | C32 | F33 | C34 | 177.8° | 180.0° |
| C31 | C32 | C34 | C35 | 1.2° | 0.3° |
| C32 | C31 | C30 | H301 | 179.0° | 179.9° |
| C31 | C32 | C34 | H341 | 178.8° | 179.9° |
| F33 | C32 | C34 | C35 | 179.0° | 179.7° |
| F33 | C32 | C31 | H311 | 0.5° | 0.0° |
| F33 | C32 | C34 | H341 | 1.0° | 0.0° |
| C32 | C34 | C35 | H341 | 180.0° | 179.6° |
| C32 | C34 | C35 | C25 | 179.7° | 179.5° |
| C32 | C34 | C35 | C29 | 0.1° | 0.6° |
| C34 | C32 | C31 | H311 | 178.3° | 180.0° |
| C34 | C35 | C25 | C29 | 179.8° | 179.0° |
| C11 | C10 | N36 | C37 | 6.5° | 0.1° |
| C11 | C10 | N36 | C07 | 178.4° | 179.9° |
| C10 | C11 | C12 | H121 | 35.0° | 65.4° |
| C10 | C11 | C12 | H122 | 84.7° | 54.5° |
| C10 | C11 | N21 | H211 | 79.1° | 93.7° |
| C10 | N36 | C37 | C07 | 174.0° | 179.8° |
| C10 | N36 | C37 | C38 | 86.4° | 65.5° |
| C10 | N36 | C37 | C42 | 89.5° | 114.8° |
| N36 | C10 | C11 | H1 | 20.8° | 15.4° |
| N36 | C37 | C38 | C42 | 176.0° | 179.7° |
| N36 | C37 | C38 | C39 | 177.9° | 180.0° |
| N36 | C37 | C42 | C41 | 177.8° | 179.7° |
| N36 | C37 | C38 | H381 | 2.1° | 0.0° |
| N36 | C37 | C42 | H421 | 2.3° | 0.0° |
| C37 | C38 | C39 | H381 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 1.0° | 0.0° |
| C38 | C37 | C42 | C41 | 1.9° | 0.5° |
| C38 | C37 | N36 | C07 | 87.6° | 114.7° |
| C37 | C38 | C39 | H391 | 179.0° | 180.0° |
| C38 | C37 | C42 | H421 | 178.1° | 179.7° |
| C38 | C39 | C40 | H391 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.1° | 0.0° |
| C38 | C39 | C40 | C43 | 179.4° | 180.0° |
| C39 | C38 | C37 | C42 | 1.9° | 0.3° |
| C39 | C40 | C41 | C42 | 0.1° | 0.3° |
| C39 | C40 | C41 | C43 | 179.3° | 179.9° |
| C39 | C40 | C43 | C44 | 0.2° | 60.0° |
| C39 | C40 | C43 | C45 | 120.9° | 180.0° |
| C39 | C40 | C43 | C46 | 120.6° | 60.0° |
| C40 | C39 | C38 | H381 | 179.0° | 180.0° |
| C39 | C40 | C41 | H411 | 179.8° | 180.0° |
| C42 | C41 | C40 | H411 | 180.0° | 179.7° |
| C42 | C41 | C40 | C43 | 179.4° | 179.8° |
| C41 | C42 | C37 | H421 | 180.0° | 179.7° |
| C41 | C40 | C43 | C44 | 179.1° | 120.0° |
| C41 | C40 | C43 | C45 | 58.3° | 0.1° |
| C41 | C40 | C43 | C46 | 60.2° | 120.0° |
| C40 | C41 | C42 | C37 | 1.0° | 0.6° |
| C41 | C40 | C39 | H391 | 179.9° | 180.0° |
| C40 | C41 | C42 | H421 | 179.0° | 179.7° |
| C40 | C43 | C44 | C45 | 120.9° | 120.0° |
| C40 | C43 | C44 | C46 | 120.9° | 120.0° |
| C40 | C43 | C45 | C46 | 118.6° | 120.0° |
| C43 | C40 | C39 | H391 | 0.6° | 0.1° |
| C43 | C40 | C41 | H411 | 0.6° | 0.0° |
| C40 | C43 | C44 | H441 | 180.0° | 60.0° |
| C40 | C43 | C44 | H442 | 60.0° | 180.0° |
| C40 | C43 | C44 | H443 | 60.0° | 60.0° |
| C40 | C43 | C45 | H451 | 180.0° | 60.0° |
| C40 | C43 | C45 | H452 | 60.0° | 180.0° |
| C40 | C43 | C45 | H453 | 60.0° | 59.9° |
| C40 | C43 | C46 | H461 | 180.0° | 60.0° |
| C40 | C43 | C46 | H462 | 60.0° | 180.0° |
| C40 | C43 | C46 | H463 | 60.0° | 60.0° |
| C44 | C43 | C45 | C46 | 118.1° | 120.0° |
| C43 | C44 | H441 | H442 | 120.0° | 120.0° |
| C43 | C44 | H441 | H443 | 120.0° | 120.1° |
| C43 | C44 | H442 | H443 | 120.0° | 120.1° |
| C44 | C43 | C45 | H451 | 56.7° | 180.0° |
| C44 | C43 | C45 | H452 | 176.7° | 60.0° |
| C44 | C43 | C45 | H453 | 63.3° | 60.1° |
| C44 | C43 | C46 | H461 | 56.7° | 59.9° |
| C44 | C43 | C46 | H462 | 63.3° | 60.0° |
| C44 | C43 | C46 | H463 | 176.7° | 180.0° |
| C45 | C43 | C44 | H441 | 59.1° | 60.0° |
| C45 | C43 | C44 | H442 | 60.8° | 60.0° |
| C45 | C43 | C44 | H443 | 179.2° | 180.0° |
| C43 | C45 | H451 | H452 | 120.0° | 120.0° |
| C43 | C45 | H451 | H453 | 120.0° | 120.0° |
| C43 | C45 | H452 | H453 | 120.0° | 120.1° |
| C45 | C43 | C46 | H461 | 61.5° | 180.0° |
| C45 | C43 | C46 | H462 | 178.5° | 60.0° |
| C45 | C43 | C46 | H463 | 58.5° | 60.0° |
| C46 | C43 | C44 | H441 | 59.1° | 180.0° |
| C46 | C43 | C44 | H442 | 179.0° | 60.1° |
| C46 | C43 | C44 | H443 | 61.0° | 60.0° |
| C46 | C43 | C45 | H451 | 61.4° | 60.0° |
| C46 | C43 | C45 | H452 | 58.6° | 60.0° |
| C46 | C43 | C45 | H453 | 178.6° | 179.9° |
| C43 | C46 | H461 | H462 | 120.0° | 120.0° |
| C43 | C46 | H461 | H463 | 120.0° | 120.1° |
| C43 | C46 | H462 | H463 | 120.0° | 120.1° |
| C07 | N36 | C37 | C42 | 96.5° | 65.0° |
| C20 | C13 | C12 | H121 | 34.4° | 24.3° |
| C20 | C13 | C12 | H122 | 154.1° | 144.2° |
| C20 | C13 | C14 | H141 | 179.8° | 179.7° |
| C35 | C25 | C24 | H241 | 21.7° | 26.6° |
| C35 | C25 | C24 | H242 | 140.0° | 146.6° |
| C25 | C35 | C34 | H341 | 0.3° | 0.8° |
| C35 | C29 | N28 | H281 | 179.8° | 179.8° |
| C35 | C29 | C30 | H301 | 179.7° | 179.8° |
| C29 | C35 | C34 | H341 | 179.9° | 179.7° |
| C42 | C37 | C38 | H381 | 178.1° | 179.7° |
| C37 | C42 | C41 | H411 | 178.9° | 179.7° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | N02 | H021 | 0.0° | 120.0° |
| H012 | C01 | N02 | H021 | 120.0° | 120.0° |
| H013 | C01 | N02 | H021 | 120.0° | 0.0° |
| H1 | C11 | C12 | H121 | 84.3° | 174.6° |
| H1 | C11 | C12 | H122 | 156.0° | 65.5° |
| H1 | C11 | N21 | H211 | 160.4° | 146.3° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 1.0° | 0.1° |
| H381 | C38 | C39 | H391 | 1.0° | 0.0° |
| H411 | C41 | C42 | H421 | 1.0° | 0.0° |
| H441 | C44 | H442 | H443 | 120.0° | 119.9° |
| H451 | C45 | H452 | H453 | 120.0° | 120.0° |
| H461 | C46 | H462 | H463 | 120.0° | 119.9° |
