A2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C20 | doub | 1.23Å | 1.21Å | |
| C20 | C23 | sing | 1.47Å | 1.50Å | |
| C20 | N19 | sing | 1.40Å | 1.34Å | |
| C23 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C31 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.08Å | |
| C33 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.49Å | 1.51Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.10Å | 1.10Å | |
| C39 | C42 | sing | 1.53Å | 1.51Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| C42 | C43 | sing | 1.52Å | 1.51Å | |
| C42 | H421 | sing | 1.10Å | 1.10Å | |
| C42 | H422 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C30 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| N19 | C21 | sing | 1.44Å | 1.47Å | |
| N19 | C18 | sing | 1.47Å | 1.46Å | |
| C21 | C25 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| C25 | C29 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C29 | N32 | sing | 1.47Å | 1.46Å | |
| C29 | H291 | sing | 1.10Å | 1.10Å | |
| C29 | H292 | sing | 1.10Å | 1.10Å | |
| N32 | C34 | sing | 1.46Å | 1.45Å | |
| N32 | C28 | sing | 1.47Å | 1.48Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C36 | C38 | sing | 1.54Å | 1.52Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | C41 | sing | 1.53Å | 1.53Å | |
| C38 | H38 | sing | 1.10Å | 1.10Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C40 | H403 | sing | 1.10Å | 1.10Å | |
| C28 | C24 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C18 | C17 | sing | 1.50Å | 1.52Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C16 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C14 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C12 | N44 | sing | 1.41Å | 1.41Å | |
| N44 | C45 | sing | 1.47Å | 1.46Å | |
| N44 | C4 | sing | 1.42Å | 1.41Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C4 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | N6 | doub | 1.35Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| N6 | C3 | sing | 1.35Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C20 | C23 | 117.7° | 116.3° |
| O22 | C20 | N19 | 119.6° | 125.0° |
| C23 | C20 | N19 | 122.7° | 118.7° |
| C20 | C23 | C26 | 121.1° | 119.4° |
| C20 | C23 | C27 | 119.0° | 119.4° |
| C20 | N19 | C21 | 115.7° | 119.8° |
| C20 | N19 | C18 | 127.7° | 124.2° |
| C26 | C23 | C27 | 119.8° | 121.2° |
| C23 | C26 | C30 | 120.5° | 119.4° |
| C23 | C26 | H26 | 119.7° | 121.2° |
| C23 | C27 | C31 | 119.7° | 119.4° |
| C23 | C27 | H27 | 120.2° | 121.2° |
| C31 | C27 | H27 | 120.1° | 119.4° |
| C27 | C31 | C33 | 120.4° | 120.0° |
| C27 | C31 | H31 | 119.8° | 119.5° |
| C33 | C31 | H31 | 119.8° | 120.5° |
| C31 | C33 | C30 | 120.1° | 120.0° |
| C31 | C33 | C35 | 119.8° | 120.0° |
| C30 | C33 | C35 | 120.1° | 120.0° |
| C33 | C30 | C26 | 119.5° | 120.0° |
| C33 | C30 | H30 | 120.3° | 120.5° |
| C33 | C35 | C37 | 110.4° | 113.7° |
| C33 | C35 | H351 | 109.2° | 110.3° |
| C33 | C35 | H352 | 108.9° | 108.4° |
| C37 | C35 | H351 | 109.1° | 109.7° |
| C37 | C35 | H352 | 108.9° | 108.6° |
| C35 | C37 | C39 | 107.2° | 113.2° |
| C35 | C37 | H371 | 110.2° | 110.2° |
| C35 | C37 | H372 | 110.7° | 108.2° |
| H351 | C35 | H352 | 110.2° | 105.8° |
| C39 | C37 | H371 | 110.2° | 109.5° |
| C39 | C37 | H372 | 110.7° | 108.8° |
| C37 | C39 | C42 | 111.2° | 111.2° |
| C37 | C39 | H391 | 108.9° | 110.1° |
| C37 | C39 | H392 | 108.5° | 109.6° |
| H371 | C37 | H372 | 107.7° | 106.7° |
| C42 | C39 | H391 | 108.9° | 109.1° |
| C42 | C39 | H392 | 108.5° | 109.5° |
| C39 | C42 | C43 | 110.0° | 111.4° |
| C39 | C42 | H421 | 109.3° | 109.8° |
| C39 | C42 | H422 | 109.2° | 109.9° |
| H391 | C39 | H392 | 110.9° | 107.2° |
| C43 | C42 | H421 | 109.3° | 109.2° |
| C43 | C42 | H422 | 109.2° | 109.2° |
| C42 | C43 | H431 | 109.5° | 111.0° |
| C42 | C43 | H432 | 109.5° | 110.2° |
| C42 | C43 | H433 | 109.4° | 111.1° |
| H421 | C42 | H422 | 109.9° | 107.3° |
| H431 | C43 | H432 | 109.4° | 108.1° |
| H431 | C43 | H433 | 109.5° | 108.3° |
| H432 | C43 | H433 | 109.5° | 108.0° |
| C26 | C30 | H30 | 120.3° | 119.5° |
| C30 | C26 | H26 | 119.8° | 119.4° |
| C21 | N19 | C18 | 116.5° | 116.0° |
| N19 | C21 | C25 | 111.3° | 111.1° |
| N19 | C21 | C24 | 111.9° | 110.9° |
| N19 | C21 | H21 | 106.6° | 106.1° |
| N19 | C18 | C17 | 113.8° | 112.0° |
| N19 | C18 | H181 | 108.1° | 107.9° |
| N19 | C18 | H182 | 107.1° | 107.7° |
| C25 | C21 | C24 | 109.8° | 110.2° |
| C25 | C21 | H21 | 108.8° | 109.2° |
| C21 | C25 | C29 | 106.4° | 111.2° |
| C21 | C25 | H251 | 110.5° | 110.0° |
| C21 | C25 | H252 | 111.2° | 110.0° |
| C24 | C21 | H21 | 108.2° | 109.3° |
| C21 | C24 | C28 | 106.9° | 111.3° |
| C21 | C24 | H241 | 110.3° | 110.0° |
| C21 | C24 | H242 | 110.9° | 110.0° |
| C29 | C25 | H251 | 110.5° | 109.7° |
| C29 | C25 | H252 | 111.2° | 109.5° |
| C25 | C29 | N32 | 106.7° | 111.2° |
| C25 | C29 | H291 | 110.4° | 108.3° |
| C25 | C29 | H292 | 111.0° | 109.7° |
| H251 | C25 | H252 | 107.1° | 106.4° |
| N32 | C29 | H291 | 110.4° | 109.6° |
| N32 | C29 | H292 | 111.0° | 110.8° |
| C29 | N32 | C34 | 104.4° | 110.5° |
| C29 | N32 | C28 | 112.6° | 111.2° |
| H291 | C29 | H292 | 107.3° | 107.2° |
| C34 | N32 | C28 | 112.9° | 110.4° |
| N32 | C34 | C36 | 108.6° | 112.5° |
| N32 | C34 | H341 | 109.8° | 106.9° |
| N32 | C34 | H342 | 109.9° | 108.1° |
| N32 | C28 | C24 | 106.5° | 111.1° |
| N32 | C28 | H281 | 110.5° | 110.8° |
| N32 | C28 | H282 | 111.1° | 109.5° |
| C36 | C34 | H341 | 109.7° | 109.6° |
| C36 | C34 | H342 | 109.9° | 112.0° |
| C34 | C36 | C38 | 109.4° | 115.0° |
| C34 | C36 | H361 | 109.5° | 108.5° |
| C34 | C36 | H362 | 109.5° | 108.4° |
| H341 | C34 | H342 | 108.8° | 107.6° |
| C38 | C36 | H361 | 109.5° | 108.8° |
| C38 | C36 | H362 | 109.5° | 109.3° |
| C36 | C38 | C40 | 110.2° | 112.5° |
| C36 | C38 | C41 | 110.2° | 109.7° |
| C36 | C38 | H38 | 109.7° | 109.1° |
| H361 | C36 | H362 | 109.3° | 106.5° |
| C40 | C38 | C41 | 112.9° | 109.7° |
| C40 | C38 | H38 | 106.8° | 108.2° |
| C38 | C40 | H401 | 109.5° | 111.4° |
| C38 | C40 | H402 | 109.4° | 110.8° |
| C38 | C40 | H403 | 109.4° | 111.3° |
| C41 | C38 | H38 | 106.9° | 107.5° |
| C38 | C41 | H411 | 109.5° | 111.3° |
| C38 | C41 | H412 | 109.5° | 110.8° |
| C38 | C41 | H413 | 109.5° | 110.8° |
| H411 | C41 | H412 | 109.5° | 108.1° |
| H411 | C41 | H413 | 109.5° | 108.0° |
| H412 | C41 | H413 | 109.5° | 107.7° |
| H401 | C40 | H402 | 109.5° | 107.1° |
| H401 | C40 | H403 | 109.5° | 108.2° |
| H402 | C40 | H403 | 109.5° | 107.9° |
| C24 | C28 | H281 | 110.5° | 109.8° |
| C24 | C28 | H282 | 111.1° | 108.3° |
| C28 | C24 | H241 | 110.4° | 109.6° |
| C28 | C24 | H242 | 110.9° | 109.6° |
| H281 | C28 | H282 | 107.2° | 107.3° |
| H241 | C24 | H242 | 107.5° | 106.4° |
| C17 | C18 | H181 | 108.1° | 110.7° |
| C17 | C18 | H182 | 107.1° | 111.1° |
| C18 | C17 | C16 | 121.3° | 119.7° |
| C18 | C17 | C15 | 119.3° | 119.7° |
| H181 | C18 | H182 | 112.8° | 107.3° |
| C16 | C17 | C15 | 119.3° | 120.7° |
| C17 | C16 | C14 | 120.7° | 119.7° |
| C17 | C16 | H16 | 119.7° | 120.8° |
| C17 | C15 | C13 | 120.0° | 119.7° |
| C17 | C15 | H15 | 120.0° | 120.8° |
| C13 | C15 | H15 | 120.0° | 119.5° |
| C15 | C13 | C12 | 120.0° | 120.0° |
| C15 | C13 | H13 | 120.0° | 119.4° |
| C12 | C13 | H13 | 120.0° | 120.6° |
| C13 | C12 | C14 | 119.8° | 120.0° |
| C13 | C12 | N44 | 120.8° | 120.0° |
| C14 | C16 | H16 | 119.6° | 119.5° |
| C16 | C14 | C12 | 120.1° | 120.0° |
| C16 | C14 | H14 | 119.9° | 119.4° |
| C12 | C14 | H14 | 119.9° | 120.6° |
| C14 | C12 | N44 | 119.4° | 120.0° |
| C12 | N44 | C45 | 110.0° | 115.3° |
| C12 | N44 | C4 | 132.6° | 126.5° |
| C45 | N44 | C4 | 115.0° | 117.1° |
| N44 | C45 | H451 | 109.5° | 110.1° |
| N44 | C45 | H452 | 109.5° | 110.2° |
| N44 | C45 | H453 | 109.4° | 110.2° |
| N44 | C4 | C2 | 120.9° | 119.6° |
| N44 | C4 | C8 | 120.1° | 119.6° |
| H451 | C45 | H452 | 109.4° | 108.8° |
| H451 | C45 | H453 | 109.4° | 108.8° |
| H452 | C45 | H453 | 109.5° | 108.7° |
| C2 | C4 | C8 | 119.0° | 120.7° |
| C4 | C2 | C3 | 118.8° | 117.4° |
| C4 | C2 | H2 | 120.6° | 122.1° |
| C4 | C8 | C9 | 120.0° | 117.4° |
| C4 | C8 | H8 | 120.0° | 122.1° |
| C3 | C2 | H2 | 120.6° | 120.6° |
| C2 | C3 | N6 | 120.8° | 124.1° |
| C2 | C3 | H3 | 119.6° | 120.7° |
| C9 | C8 | H8 | 120.0° | 120.5° |
| C8 | C9 | N6 | 119.7° | 124.1° |
| C8 | C9 | H9 | 120.2° | 120.7° |
| N6 | C9 | H9 | 120.1° | 115.2° |
| C9 | N6 | C3 | 121.7° | 116.3° |
| N6 | C3 | H3 | 119.6° | 115.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C20 | C23 | N19 | 178.1° | 179.2° |
| O22 | C20 | C23 | C26 | 95.4° | 89.1° |
| O22 | C20 | C23 | C27 | 84.2° | 90.8° |
| O22 | C20 | N19 | C21 | 7.3° | 0.0° |
| O22 | C20 | N19 | C18 | 170.5° | 179.9° |
| C20 | C23 | C26 | C27 | 179.5° | 179.9° |
| C20 | C23 | C27 | C31 | 179.2° | 179.9° |
| C20 | C23 | C27 | H27 | 0.8° | 0.1° |
| C20 | C23 | C26 | C30 | 179.1° | 179.9° |
| C20 | C23 | C26 | H26 | 0.9° | 0.1° |
| C23 | C20 | N19 | C21 | 174.6° | 179.2° |
| C23 | C20 | N19 | C18 | 7.6° | 0.9° |
| N19 | C20 | C23 | C26 | 86.5° | 90.1° |
| N19 | C20 | C23 | C27 | 94.0° | 90.0° |
| C20 | N19 | C21 | C18 | 178.1° | 179.9° |
| C20 | N19 | C21 | C25 | 122.9° | 61.4° |
| C20 | N19 | C21 | C24 | 113.9° | 61.5° |
| C20 | N19 | C21 | H21 | 4.3° | 180.0° |
| C20 | N19 | C18 | C17 | 96.3° | 120.0° |
| C20 | N19 | C18 | H181 | 23.8° | 118.0° |
| C20 | N19 | C18 | H182 | 145.6° | 2.4° |
| C26 | C23 | C27 | C31 | 1.3° | 0.0° |
| C26 | C23 | C27 | H27 | 178.7° | 180.0° |
| C23 | C26 | C30 | C33 | 0.8° | 0.0° |
| C23 | C26 | C30 | H26 | 180.0° | 180.0° |
| C23 | C26 | C30 | H30 | 179.2° | 180.0° |
| C23 | C27 | C31 | H27 | 180.0° | 180.0° |
| C23 | C27 | C31 | C33 | 0.6° | 0.0° |
| C23 | C27 | C31 | H31 | 179.4° | 180.0° |
| C27 | C23 | C26 | C30 | 1.4° | 0.0° |
| C27 | C23 | C26 | H26 | 178.6° | 180.0° |
| C27 | C31 | C33 | H31 | 180.0° | 180.0° |
| C27 | C31 | C33 | C30 | 0.0° | 0.0° |
| C27 | C31 | C33 | C35 | 179.0° | 180.0° |
| H27 | C27 | C31 | C33 | 179.4° | 180.0° |
| H27 | C27 | C31 | H31 | 0.6° | 0.0° |
| C31 | C33 | C30 | C35 | 179.0° | 180.0° |
| C31 | C33 | C35 | C37 | 85.3° | 90.0° |
| C31 | C33 | C35 | H351 | 34.7° | 33.7° |
| C31 | C33 | C35 | H352 | 155.2° | 149.1° |
| C31 | C33 | C30 | C26 | 0.1° | 0.0° |
| C31 | C33 | C30 | H30 | 179.9° | 180.0° |
| H31 | C31 | C33 | C30 | 180.0° | 180.0° |
| H31 | C31 | C33 | C35 | 1.0° | 0.0° |
| C30 | C33 | C35 | C37 | 95.8° | 90.0° |
| C30 | C33 | C35 | H351 | 144.2° | 146.3° |
| C30 | C33 | C35 | H352 | 23.8° | 30.9° |
| C33 | C30 | C26 | H30 | 180.0° | 180.0° |
| C33 | C30 | C26 | H26 | 179.2° | 180.0° |
| C33 | C35 | C37 | H351 | 120.0° | 124.1° |
| C33 | C35 | C37 | H352 | 119.6° | 120.8° |
| C33 | C35 | H351 | H352 | 119.6° | 117.0° |
| C33 | C35 | C37 | C39 | 168.9° | 177.0° |
| C33 | C35 | C37 | H371 | 71.1° | 60.0° |
| C33 | C35 | C37 | H372 | 48.0° | 56.3° |
| C35 | C33 | C30 | C26 | 178.8° | 180.0° |
| C35 | C33 | C30 | H30 | 1.2° | 0.0° |
| C37 | C35 | H351 | H352 | 119.6° | 117.0° |
| C35 | C37 | C39 | H371 | 120.0° | 123.4° |
| C35 | C37 | C39 | H372 | 120.9° | 120.3° |
| C35 | C37 | H371 | H372 | 120.9° | 117.3° |
| C35 | C37 | C39 | C42 | 134.8° | 179.0° |
| C35 | C37 | C39 | H391 | 14.8° | 59.9° |
| C35 | C37 | C39 | H392 | 105.9° | 57.8° |
| H351 | C35 | C37 | C39 | 48.9° | 59.0° |
| H351 | C35 | C37 | H371 | 168.9° | 64.1° |
| H351 | C35 | C37 | H372 | 72.0° | 179.6° |
| H352 | C35 | C37 | C39 | 71.5° | 56.2° |
| H352 | C35 | C37 | H371 | 48.5° | 179.2° |
| H352 | C35 | C37 | H372 | 167.6° | 64.5° |
| C39 | C37 | H371 | H372 | 120.9° | 117.6° |
| C37 | C39 | C42 | H391 | 120.0° | 121.6° |
| C37 | C39 | C42 | H392 | 119.3° | 121.2° |
| C37 | C39 | H391 | H392 | 119.3° | 119.1° |
| C37 | C39 | C42 | C43 | 141.8° | 178.4° |
| C37 | C39 | C42 | H421 | 98.2° | 60.5° |
| C37 | C39 | C42 | H422 | 22.0° | 57.3° |
| H371 | C37 | C39 | C42 | 14.8° | 57.6° |
| H371 | C37 | C39 | H391 | 105.2° | 63.5° |
| H371 | C37 | C39 | H392 | 134.1° | 178.8° |
| H372 | C37 | C39 | C42 | 104.3° | 58.7° |
| H372 | C37 | C39 | H391 | 135.7° | 179.7° |
| H372 | C37 | C39 | H392 | 15.0° | 62.6° |
| C42 | C39 | H391 | H392 | 119.3° | 118.5° |
| C39 | C42 | C43 | H421 | 120.0° | 121.5° |
| C39 | C42 | C43 | H422 | 119.8° | 121.5° |
| C39 | C42 | H421 | H422 | 119.8° | 119.4° |
| C39 | C42 | C43 | H431 | 59.1° | 60.2° |
| C39 | C42 | C43 | H432 | 60.8° | 180.0° |
| C39 | C42 | C43 | H433 | 179.2° | 60.3° |
| H391 | C39 | C42 | C43 | 98.2° | 60.0° |
| H391 | C39 | C42 | H421 | 21.8° | 61.1° |
| H391 | C39 | C42 | H422 | 142.0° | 178.9° |
| H392 | C39 | C42 | C43 | 22.5° | 57.1° |
| H392 | C39 | C42 | H421 | 142.5° | 178.3° |
| H392 | C39 | C42 | H422 | 97.2° | 64.0° |
| C43 | C42 | H421 | H422 | 119.7° | 118.2° |
| C42 | C43 | H431 | H432 | 120.0° | 121.0° |
| C42 | C43 | H431 | H433 | 120.0° | 122.2° |
| C42 | C43 | H432 | H433 | 120.0° | 121.5° |
| H421 | C42 | C43 | H431 | 179.1° | 178.3° |
| H421 | C42 | C43 | H432 | 59.2° | 58.5° |
| H421 | C42 | C43 | H433 | 60.8° | 61.1° |
| H422 | C42 | C43 | H431 | 60.7° | 61.3° |
| H422 | C42 | C43 | H432 | 179.4° | 58.5° |
| H422 | C42 | C43 | H433 | 59.4° | 178.1° |
| H431 | C43 | H432 | H433 | 120.0° | 117.0° |
| H30 | C30 | C26 | H26 | 0.8° | 0.0° |
| N19 | C21 | C25 | C24 | 124.5° | 123.3° |
| N19 | C21 | C25 | H21 | 117.2° | 116.7° |
| N19 | C21 | C24 | H21 | 117.2° | 116.6° |
| N19 | C21 | C25 | C29 | 172.7° | 175.7° |
| N19 | C21 | C25 | H251 | 67.3° | 62.6° |
| N19 | C21 | C25 | H252 | 51.5° | 54.2° |
| N19 | C21 | C24 | C28 | 174.1° | 175.9° |
| N19 | C21 | C24 | H241 | 54.1° | 54.3° |
| N19 | C21 | C24 | H242 | 64.9° | 62.5° |
| C21 | N19 | C18 | C17 | 86.0° | 59.9° |
| C21 | N19 | C18 | H181 | 154.0° | 62.1° |
| C21 | N19 | C18 | H182 | 32.2° | 177.6° |
| C18 | N19 | C21 | C25 | 59.1° | 118.5° |
| C18 | N19 | C21 | C24 | 64.2° | 118.6° |
| C18 | N19 | C21 | H21 | 177.6° | 0.1° |
| N19 | C18 | C17 | H181 | 120.0° | 120.4° |
| N19 | C18 | C17 | H182 | 118.1° | 120.5° |
| N19 | C18 | H181 | H182 | 118.3° | 115.8° |
| N19 | C18 | C17 | C16 | 28.7° | 90.0° |
| N19 | C18 | C17 | C15 | 150.9° | 90.0° |
| C25 | C21 | C24 | H21 | 118.7° | 120.0° |
| C21 | C25 | C29 | H251 | 120.0° | 121.9° |
| C21 | C25 | C29 | H252 | 121.2° | 121.8° |
| C21 | C25 | H251 | H252 | 121.3° | 119.0° |
| C21 | C25 | C29 | N32 | 62.4° | 56.1° |
| C21 | C25 | C29 | H291 | 177.6° | 176.5° |
| C21 | C25 | C29 | H292 | 58.7° | 66.8° |
| C25 | C21 | C24 | C28 | 61.8° | 52.5° |
| C25 | C21 | C24 | H241 | 178.2° | 69.1° |
| C25 | C21 | C24 | H242 | 59.2° | 174.1° |
| C24 | C21 | C25 | C29 | 62.8° | 52.5° |
| C24 | C21 | C25 | H251 | 57.2° | 174.2° |
| C24 | C21 | C25 | H252 | 176.0° | 69.0° |
| C21 | C24 | C28 | N32 | 59.7° | 56.1° |
| C21 | C24 | C28 | H241 | 120.0° | 121.8° |
| C21 | C24 | C28 | H242 | 121.0° | 121.8° |
| C21 | C24 | C28 | H281 | 179.8° | 66.8° |
| C21 | C24 | C28 | H282 | 61.4° | 176.3° |
| C21 | C24 | H241 | H242 | 121.0° | 119.0° |
| H21 | C21 | C25 | C29 | 55.5° | 67.6° |
| H21 | C21 | C25 | H251 | 175.5° | 54.1° |
| H21 | C21 | C25 | H252 | 65.7° | 170.9° |
| H21 | C21 | C24 | C28 | 56.9° | 67.5° |
| H21 | C21 | C24 | H241 | 63.1° | 170.9° |
| H21 | C21 | C24 | H242 | 177.9° | 54.1° |
| C29 | C25 | H251 | H252 | 121.3° | 118.3° |
| C25 | C29 | N32 | H291 | 120.0° | 119.7° |
| C25 | C29 | N32 | H292 | 121.1° | 122.3° |
| C25 | C29 | H291 | H292 | 121.1° | 118.3° |
| C25 | C29 | N32 | C34 | 170.4° | 177.8° |
| C25 | C29 | N32 | C28 | 66.8° | 59.2° |
| H251 | C25 | C29 | N32 | 57.6° | 177.9° |
| H251 | C25 | C29 | H291 | 62.4° | 61.7° |
| H251 | C25 | C29 | H292 | 178.7° | 55.0° |
| H252 | C25 | C29 | N32 | 176.4° | 65.7° |
| H252 | C25 | C29 | H291 | 56.4° | 54.7° |
| H252 | C25 | C29 | H292 | 62.5° | 171.4° |
| N32 | C29 | H291 | H292 | 121.1° | 120.3° |
| C29 | N32 | C34 | C28 | 122.6° | 123.4° |
| C29 | N32 | C34 | C36 | 167.4° | 59.6° |
| C29 | N32 | C34 | H341 | 72.6° | 180.0° |
| C29 | N32 | C34 | H342 | 47.1° | 64.5° |
| C29 | N32 | C28 | C24 | 65.3° | 59.2° |
| C29 | N32 | C28 | H281 | 174.7° | 63.1° |
| C29 | N32 | C28 | H282 | 55.8° | 178.8° |
| H291 | C29 | N32 | C34 | 50.4° | 58.2° |
| H291 | C29 | N32 | C28 | 173.2° | 178.8° |
| H292 | C29 | N32 | C34 | 68.5° | 59.9° |
| H292 | C29 | N32 | C28 | 54.3° | 63.1° |
| N32 | C34 | C36 | H341 | 120.0° | 118.8° |
| N32 | C34 | C36 | H342 | 120.3° | 121.9° |
| N32 | C34 | H341 | H342 | 120.3° | 115.9° |
| N32 | C34 | C36 | C38 | 167.0° | 178.8° |
| N32 | C34 | C36 | H361 | 72.9° | 59.2° |
| N32 | C34 | C36 | H362 | 47.0° | 56.1° |
| C34 | N32 | C28 | C24 | 176.8° | 177.9° |
| C34 | N32 | C28 | H281 | 56.8° | 59.9° |
| C34 | N32 | C28 | H282 | 62.0° | 58.3° |
| C28 | N32 | C34 | C36 | 44.8° | 177.0° |
| C28 | N32 | C34 | H341 | 164.8° | 56.6° |
| C28 | N32 | C34 | H342 | 75.5° | 58.9° |
| N32 | C28 | C24 | H281 | 120.0° | 122.9° |
| N32 | C28 | C24 | H282 | 121.2° | 120.3° |
| N32 | C28 | H281 | H282 | 121.2° | 119.4° |
| N32 | C28 | C24 | H241 | 179.7° | 65.8° |
| N32 | C28 | C24 | H242 | 61.2° | 177.9° |
| C36 | C34 | H341 | H342 | 120.3° | 121.9° |
| C34 | C36 | C38 | H361 | 120.0° | 121.9° |
| C34 | C36 | C38 | H362 | 120.1° | 122.2° |
| C34 | C36 | H361 | H362 | 120.0° | 116.5° |
| C34 | C36 | C38 | C40 | 93.6° | 64.2° |
| C34 | C36 | C38 | C41 | 141.2° | 58.1° |
| C34 | C36 | C38 | H38 | 23.8° | 175.7° |
| H341 | C34 | C36 | C38 | 47.0° | 60.0° |
| H341 | C34 | C36 | H361 | 167.0° | 178.0° |
| H341 | C34 | C36 | H362 | 73.0° | 62.7° |
| H342 | C34 | C36 | C38 | 72.6° | 59.3° |
| H342 | C34 | C36 | H361 | 47.4° | 62.7° |
| H342 | C34 | C36 | H362 | 167.3° | 178.0° |
| C38 | C36 | H361 | H362 | 120.0° | 117.7° |
| C36 | C38 | C40 | C41 | 123.7° | 122.4° |
| C36 | C38 | C40 | H38 | 119.1° | 120.6° |
| C36 | C38 | C41 | H38 | 119.1° | 118.6° |
| C36 | C38 | C41 | H411 | 121.2° | 62.0° |
| C36 | C38 | C41 | H412 | 118.8° | 58.2° |
| C36 | C38 | C41 | H413 | 1.2° | 177.8° |
| C36 | C38 | C40 | H401 | 56.5° | 65.1° |
| C36 | C38 | C40 | H402 | 63.5° | 175.8° |
| C36 | C38 | C40 | H403 | 176.5° | 55.7° |
| H361 | C36 | C38 | C40 | 26.5° | 57.6° |
| H361 | C36 | C38 | C41 | 98.8° | 180.0° |
| H361 | C36 | C38 | H38 | 143.8° | 62.4° |
| H362 | C36 | C38 | C40 | 146.4° | 173.6° |
| H362 | C36 | C38 | C41 | 21.2° | 64.1° |
| H362 | C36 | C38 | H38 | 96.3° | 53.5° |
| C40 | C38 | C41 | H38 | 117.2° | 117.4° |
| C40 | C38 | C41 | H411 | 115.1° | 62.0° |
| C40 | C38 | C41 | H412 | 4.9° | 177.7° |
| C40 | C38 | C41 | H413 | 124.9° | 58.2° |
| C38 | C40 | H401 | H402 | 120.0° | 121.3° |
| C38 | C40 | H401 | H403 | 120.0° | 122.6° |
| C38 | C40 | H402 | H403 | 120.0° | 122.1° |
| C38 | C41 | H411 | H412 | 120.0° | 121.9° |
| C38 | C41 | H411 | H413 | 120.0° | 121.9° |
| C38 | C41 | H412 | H413 | 120.0° | 121.4° |
| C41 | C38 | C40 | H401 | 179.9° | 172.5° |
| C41 | C38 | C40 | H402 | 60.1° | 53.4° |
| C41 | C38 | C40 | H403 | 59.9° | 66.7° |
| H38 | C38 | C41 | H411 | 2.0° | 179.4° |
| H38 | C38 | C41 | H412 | 122.0° | 60.3° |
| H38 | C38 | C41 | H413 | 118.0° | 59.2° |
| H38 | C38 | C40 | H401 | 62.7° | 55.5° |
| H38 | C38 | C40 | H402 | 177.3° | 63.6° |
| H38 | C38 | C40 | H403 | 57.4° | 176.3° |
| H411 | C41 | H412 | H413 | 120.0° | 116.4° |
| H401 | C40 | H402 | H403 | 120.0° | 116.3° |
| C24 | C28 | H281 | H282 | 121.2° | 117.5° |
| C28 | C24 | H241 | H242 | 121.1° | 118.4° |
| H281 | C28 | C24 | H241 | 60.3° | 171.4° |
| H281 | C28 | C24 | H242 | 58.8° | 55.0° |
| H282 | C28 | C24 | H241 | 58.6° | 54.5° |
| H282 | C28 | C24 | H242 | 177.6° | 61.8° |
| C17 | C18 | H181 | H182 | 118.2° | 121.3° |
| C18 | C17 | C16 | C15 | 179.6° | 179.9° |
| C18 | C17 | C15 | C13 | 179.9° | 180.0° |
| C18 | C17 | C15 | H15 | 0.0° | 0.2° |
| C18 | C17 | C16 | C14 | 179.9° | 180.0° |
| C18 | C17 | C16 | H16 | 0.1° | 0.1° |
| H181 | C18 | C17 | C16 | 91.4° | 30.4° |
| H181 | C18 | C17 | C15 | 89.1° | 149.5° |
| H182 | C18 | C17 | C16 | 146.8° | 149.4° |
| H182 | C18 | C17 | C15 | 32.8° | 30.5° |
| C16 | C17 | C15 | C13 | 0.5° | 0.1° |
| C16 | C17 | C15 | H15 | 179.5° | 179.9° |
| C17 | C16 | C14 | H16 | 180.0° | 180.0° |
| C17 | C16 | C14 | C12 | 0.1° | 0.0° |
| C17 | C16 | C14 | H14 | 179.9° | 180.0° |
| C17 | C15 | C13 | H15 | 180.0° | 179.8° |
| C17 | C15 | C13 | C12 | 0.1° | 0.0° |
| C17 | C15 | C13 | H13 | 179.8° | 180.0° |
| C15 | C17 | C16 | C14 | 0.3° | 0.1° |
| C15 | C17 | C16 | H16 | 179.7° | 180.0° |
| C15 | C13 | C12 | H13 | 180.0° | 180.0° |
| C15 | C13 | C12 | C14 | 0.4° | 0.0° |
| C15 | C13 | C12 | N44 | 179.9° | 180.0° |
| H15 | C15 | C13 | C12 | 179.9° | 179.9° |
| H15 | C15 | C13 | H13 | 0.1° | 0.1° |
| C13 | C12 | C14 | C16 | 0.5° | 0.0° |
| C13 | C12 | C14 | N44 | 179.5° | 180.0° |
| C13 | C12 | C14 | H14 | 179.5° | 180.0° |
| C13 | C12 | N44 | C45 | 92.7° | 102.0° |
| C13 | C12 | N44 | C4 | 68.1° | 90.0° |
| H13 | C13 | C12 | C14 | 179.7° | 180.0° |
| H13 | C13 | C12 | N44 | 0.1° | 0.0° |
| C16 | C14 | C12 | H14 | 180.0° | 180.0° |
| C16 | C14 | C12 | N44 | 180.0° | 180.0° |
| H16 | C16 | C14 | C12 | 179.9° | 180.0° |
| H16 | C16 | C14 | H14 | 0.1° | 0.0° |
| C14 | C12 | N44 | C45 | 87.7° | 78.0° |
| C14 | C12 | N44 | C4 | 111.4° | 90.0° |
| H14 | C14 | C12 | N44 | 0.0° | 0.0° |
| C12 | N44 | C45 | C4 | 164.6° | 169.2° |
| C12 | N44 | C45 | H451 | 70.8° | 146.3° |
| C12 | N44 | C45 | H452 | 49.2° | 26.3° |
| C12 | N44 | C45 | H453 | 169.2° | 93.7° |
| C12 | N44 | C4 | C2 | 164.0° | 30.1° |
| C12 | N44 | C4 | C8 | 15.8° | 150.0° |
| N44 | C45 | H451 | H452 | 120.0° | 120.9° |
| N44 | C45 | H451 | H453 | 120.0° | 120.9° |
| N44 | C45 | H452 | H453 | 120.0° | 120.9° |
| C45 | N44 | C4 | C2 | 35.8° | 137.8° |
| C45 | N44 | C4 | C8 | 144.3° | 42.2° |
| C4 | N44 | C45 | H451 | 93.8° | 22.9° |
| C4 | N44 | C45 | H452 | 146.3° | 142.9° |
| C4 | N44 | C45 | H453 | 26.2° | 97.1° |
| N44 | C4 | C2 | C8 | 179.9° | 180.0° |
| N44 | C4 | C2 | C3 | 179.6° | 180.0° |
| N44 | C4 | C2 | H2 | 0.4° | 0.1° |
| N44 | C4 | C8 | C9 | 179.8° | 180.0° |
| N44 | C4 | C8 | H8 | 0.1° | 0.0° |
| H451 | C45 | H452 | H453 | 120.0° | 118.3° |
| C4 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C4 | C8 | C9 | 0.3° | 0.0° |
| C2 | C4 | C8 | H8 | 179.7° | 180.0° |
| C4 | C2 | C3 | N6 | 0.4° | 0.0° |
| C4 | C2 | C3 | H3 | 179.6° | 180.0° |
| C8 | C4 | C2 | C3 | 0.5° | 0.1° |
| C8 | C4 | C2 | H2 | 179.5° | 180.0° |
| C4 | C8 | C9 | H8 | 180.0° | 180.0° |
| C4 | C8 | C9 | N6 | 0.1° | 0.0° |
| C4 | C8 | C9 | H9 | 179.8° | 180.0° |
| C2 | C3 | N6 | C9 | 0.1° | 0.0° |
| C2 | C3 | N6 | H3 | 180.0° | 180.0° |
| H2 | C2 | C3 | N6 | 179.6° | 179.9° |
| H2 | C2 | C3 | H3 | 0.4° | 0.1° |
| C8 | C9 | N6 | H9 | 180.0° | 180.0° |
| C8 | C9 | N6 | C3 | 0.3° | 0.0° |
| H8 | C8 | C9 | N6 | 179.8° | 180.0° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| C9 | N6 | C3 | H3 | 179.9° | 180.0° |
| H9 | C9 | N6 | C3 | 179.7° | 180.0° |
