PY3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N7 | sing | 1.39Å | 1.41Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | N6 | doub | 1.32Å | 1.36Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N7 | C8 | sing | 1.35Å | 1.33Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C8 | C9 | sing | 1.48Å | 1.47Å | |
| C8 | O10 | doub | 1.22Å | 1.21Å | |
| C9 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C19 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.47Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | N17 | doub | 1.38Å | 1.36Å | |
| C16 | N18 | sing | 1.30Å | 1.30Å | |
| N17 | H17 | sing | 0.97Å | 1.02Å | |
| N18 | H181 | sing | 8.39Å | 1.02Å | |
| N18 | H182 | sing | 0.97Å | 1.02Å | |
| C19 | N20 | sing | 1.47Å | 1.50Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| N20 | H20 | sing | 0.97Å | 1.02Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | O24 | doub | 1.21Å | 1.22Å | |
| C22 | N23 | sing | 1.46Å | 1.48Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| N23 | C25 | sing | 1.35Å | 1.41Å | Aromatic |
| N23 | C29 | sing | 1.37Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.48Å | Aromatic |
| C25 | O48 | doub | 1.22Å | 1.24Å | |
| C26 | N27 | doub | 1.32Å | 1.31Å | Aromatic |
| C26 | N31 | sing | 1.39Å | 1.38Å | |
| N27 | C28 | sing | 1.33Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.36Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.48Å | 1.48Å | Aromatic |
| C30 | C35 | doub | 1.40Å | 1.43Å | Aromatic |
| C30 | C39 | sing | 1.39Å | 1.43Å | Aromatic |
| N31 | C32 | sing | 1.47Å | 1.47Å | |
| N31 | H31 | sing | 0.97Å | 1.02Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | C34 | sing | 1.53Å | 1.55Å | |
| C32 | H32 | sing | 1.09Å | 1.11Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C33 | H333 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.39Å | 1.43Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.39Å | 1.42Å | Aromatic |
| C36 | N40 | sing | 1.40Å | 1.40Å | |
| C37 | C38 | sing | 1.40Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | doub | 1.39Å | 1.43Å | Aromatic |
| C38 | C41 | sing | 1.48Å | 1.47Å | |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| N40 | H401 | sing | 0.97Å | 1.02Å | |
| N40 | H402 | sing | 0.97Å | 1.02Å | |
| C41 | N42 | sing | 1.35Å | 1.37Å | |
| C41 | O46 | doub | 1.22Å | 1.22Å | |
| N42 | C43 | sing | 1.46Å | 1.49Å | |
| N42 | H42 | sing | 0.97Å | 1.02Å | |
| C43 | C44 | sing | 1.53Å | 1.55Å | |
| C43 | C47 | sing | 1.53Å | 1.54Å | |
| C43 | H43 | sing | 1.09Å | 1.12Å | |
| C44 | C45 | sing | 1.53Å | 1.56Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C47 | H473 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 118.2° | 118.3° |
| C4 | C3 | N7 | 117.5° | 120.8° |
| C3 | C4 | C5 | 119.2° | 119.1° |
| C3 | C4 | H4 | 120.8° | 120.5° |
| C2 | C3 | N7 | 124.3° | 120.9° |
| C3 | C2 | C1 | 120.1° | 119.1° |
| C3 | C2 | H2 | 120.4° | 120.5° |
| C3 | N7 | C8 | 127.1° | 120.0° |
| C3 | N7 | HN7 | 119.7° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.5° |
| C4 | C5 | N6 | 120.4° | 120.9° |
| C4 | C5 | H5 | 121.7° | 119.6° |
| N6 | C5 | H5 | 118.0° | 119.6° |
| C5 | N6 | C1 | 122.3° | 121.9° |
| C2 | C1 | N6 | 119.8° | 120.8° |
| C2 | C1 | H1 | 122.0° | 119.6° |
| C1 | C2 | H2 | 119.5° | 120.4° |
| N6 | C1 | H1 | 118.2° | 119.6° |
| C8 | N7 | HN7 | 113.2° | 120.0° |
| N7 | C8 | C9 | 121.3° | 120.0° |
| N7 | C8 | O10 | 125.0° | 120.0° |
| C9 | C8 | O10 | 113.6° | 120.0° |
| C8 | C9 | C11 | 123.4° | 120.1° |
| C8 | C9 | C15 | 115.2° | 120.1° |
| C11 | C9 | C15 | 121.4° | 119.8° |
| C9 | C11 | C12 | 117.5° | 120.2° |
| C9 | C11 | C19 | 127.1° | 119.9° |
| C9 | C15 | C14 | 120.9° | 119.7° |
| C9 | C15 | H15 | 120.1° | 120.1° |
| C12 | C11 | C19 | 115.4° | 119.9° |
| C11 | C12 | C13 | 121.6° | 120.3° |
| C11 | C12 | H12 | 119.4° | 119.9° |
| C11 | C19 | N20 | 108.0° | 109.5° |
| C11 | C19 | H191 | 112.7° | 109.5° |
| C11 | C19 | H192 | 112.8° | 109.4° |
| C13 | C12 | H12 | 119.0° | 119.8° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C12 | C13 | H13 | 120.3° | 119.9° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | C15 | 118.8° | 119.9° |
| C13 | C14 | C16 | 119.9° | 120.0° |
| C15 | C14 | C16 | 121.3° | 120.1° |
| C14 | C15 | H15 | 119.0° | 120.2° |
| C14 | C16 | N17 | 120.7° | 120.0° |
| C14 | C16 | N18 | 120.8° | 120.0° |
| N17 | C16 | N18 | 118.5° | 120.0° |
| C16 | N17 | H17 | 91.4° | 120.0° |
| C16 | N18 | H181 | 120.8° | 53.4° |
| C16 | N18 | H182 | 108.2° | 120.0° |
| H181 | N18 | H182 | 108.2° | 161.0° |
| N20 | C19 | H191 | 112.7° | 109.5° |
| N20 | C19 | H192 | 112.8° | 109.5° |
| C19 | N20 | C21 | 122.3° | 120.0° |
| C19 | N20 | H20 | 124.9° | 120.0° |
| H191 | C19 | H192 | 97.6° | 109.5° |
| C21 | N20 | H20 | 112.8° | 120.0° |
| N20 | C21 | C22 | 116.6° | 120.0° |
| N20 | C21 | O24 | 122.1° | 120.0° |
| C22 | C21 | O24 | 121.3° | 120.0° |
| C21 | C22 | N23 | 116.4° | 109.5° |
| C21 | C22 | H221 | 109.7° | 109.5° |
| C21 | C22 | H222 | 109.7° | 109.4° |
| N23 | C22 | H221 | 109.7° | 109.5° |
| N23 | C22 | H222 | 109.7° | 109.5° |
| C22 | N23 | C25 | 115.9° | 120.5° |
| C22 | N23 | C29 | 126.1° | 120.5° |
| H221 | C22 | H222 | 100.5° | 109.6° |
| C25 | N23 | C29 | 117.9° | 119.0° |
| N23 | C25 | C26 | 119.6° | 118.7° |
| N23 | C25 | O48 | 123.3° | 120.6° |
| N23 | C29 | C28 | 120.6° | 120.5° |
| N23 | C29 | C30 | 120.4° | 119.7° |
| C26 | C25 | O48 | 117.1° | 120.7° |
| C25 | C26 | N27 | 118.0° | 119.5° |
| C25 | C26 | N31 | 121.1° | 120.2° |
| N27 | C26 | N31 | 120.9° | 120.2° |
| C26 | N27 | C28 | 123.0° | 120.9° |
| C26 | N31 | C32 | 124.9° | 120.0° |
| C26 | N31 | H31 | 106.8° | 120.0° |
| N27 | C28 | C29 | 120.8° | 121.4° |
| N27 | C28 | H28 | 121.2° | 119.3° |
| C29 | C28 | H28 | 118.0° | 119.3° |
| C28 | C29 | C30 | 118.9° | 119.8° |
| C29 | C30 | C35 | 120.4° | 120.0° |
| C29 | C30 | C39 | 120.2° | 120.0° |
| C35 | C30 | C39 | 119.3° | 119.9° |
| C30 | C35 | C36 | 119.7° | 120.0° |
| C30 | C35 | H35 | 120.3° | 120.0° |
| C30 | C39 | C38 | 120.7° | 119.9° |
| C30 | C39 | H39 | 119.9° | 120.1° |
| C32 | N31 | H31 | 106.8° | 120.0° |
| N31 | C32 | C33 | 108.2° | 109.5° |
| N31 | C32 | C34 | 108.5° | 109.4° |
| N31 | C32 | H32 | 112.0° | 109.5° |
| C33 | C32 | C34 | 112.3° | 109.5° |
| C33 | C32 | H32 | 108.2° | 109.5° |
| C32 | C33 | H331 | 108.2° | 109.5° |
| C32 | C33 | H332 | 112.7° | 109.4° |
| C32 | C33 | H333 | 112.7° | 109.5° |
| C34 | C32 | H32 | 107.8° | 109.4° |
| C32 | C34 | H341 | 108.5° | 109.4° |
| C32 | C34 | H342 | 112.6° | 109.5° |
| C32 | C34 | H343 | 112.6° | 109.4° |
| H331 | C33 | H332 | 112.8° | 109.5° |
| H331 | C33 | H333 | 112.7° | 109.5° |
| H332 | C33 | H333 | 97.7° | 109.4° |
| H341 | C34 | H342 | 112.6° | 109.5° |
| H341 | C34 | H343 | 112.6° | 109.4° |
| H342 | C34 | H343 | 97.8° | 109.5° |
| C36 | C35 | H35 | 120.1° | 120.0° |
| C35 | C36 | C37 | 119.7° | 120.2° |
| C35 | C36 | N40 | 120.8° | 119.9° |
| C37 | C36 | N40 | 119.5° | 119.9° |
| C36 | C37 | C38 | 121.6° | 120.1° |
| C36 | C37 | H37 | 119.9° | 119.9° |
| C36 | N40 | H401 | 120.7° | 119.9° |
| C36 | N40 | H402 | 108.2° | 120.0° |
| C38 | C37 | H37 | 118.5° | 120.0° |
| C37 | C38 | C39 | 118.9° | 119.9° |
| C37 | C38 | C41 | 119.7° | 120.0° |
| C39 | C38 | C41 | 121.4° | 120.1° |
| C38 | C39 | H39 | 119.4° | 120.0° |
| C38 | C41 | N42 | 121.1° | 120.0° |
| C38 | C41 | O46 | 118.1° | 120.0° |
| H401 | N40 | H402 | 108.2° | 120.0° |
| N42 | C41 | O46 | 120.8° | 120.0° |
| C41 | N42 | C43 | 127.3° | 120.0° |
| C41 | N42 | H42 | 111.5° | 120.0° |
| C43 | N42 | H42 | 121.3° | 120.0° |
| N42 | C43 | C44 | 110.9° | 109.4° |
| N42 | C43 | C47 | 108.2° | 109.5° |
| N42 | C43 | H43 | 110.3° | 109.5° |
| C44 | C43 | C47 | 111.9° | 109.5° |
| C44 | C43 | H43 | 106.4° | 109.5° |
| C43 | C44 | C45 | 115.9° | 109.5° |
| C43 | C44 | H441 | 109.9° | 109.4° |
| C43 | C44 | H442 | 109.9° | 109.5° |
| C47 | C43 | H43 | 109.2° | 109.5° |
| C43 | C47 | H471 | 108.2° | 109.5° |
| C43 | C47 | H472 | 112.7° | 109.5° |
| C43 | C47 | H473 | 112.7° | 109.5° |
| C45 | C44 | H441 | 109.8° | 109.5° |
| C45 | C44 | H442 | 109.8° | 109.5° |
| C44 | C45 | H451 | 115.9° | 109.5° |
| C44 | C45 | H452 | 109.9° | 109.5° |
| C44 | C45 | H453 | 109.9° | 109.5° |
| H441 | C44 | H442 | 100.3° | 109.4° |
| H451 | C45 | H452 | 109.8° | 109.5° |
| H451 | C45 | H453 | 109.9° | 109.5° |
| H452 | C45 | H453 | 100.3° | 109.4° |
| H471 | C47 | H472 | 112.6° | 109.5° |
| H471 | C47 | H473 | 112.6° | 109.4° |
| H472 | C47 | H473 | 97.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | N7 | 179.5° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 0.2° | 0.1° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.6° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C3 | N7 | C8 | 178.2° | 147.7° |
| C4 | C3 | N7 | HN7 | 1.7° | 32.2° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| C2 | C3 | C4 | H4 | 179.9° | 179.8° |
| C3 | C2 | C1 | H2 | 180.0° | 179.4° |
| C3 | C2 | C1 | N6 | 0.1° | 0.6° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | C3 | N7 | C8 | 2.2° | 32.6° |
| C2 | C3 | N7 | HN7 | 177.8° | 147.4° |
| N7 | C3 | C4 | C5 | 179.7° | 180.0° |
| N7 | C3 | C4 | H4 | 0.3° | 0.1° |
| N7 | C3 | C2 | C1 | 179.4° | 179.7° |
| N7 | C3 | C2 | H2 | 0.6° | 0.3° |
| C3 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C3 | N7 | C8 | C9 | 176.9° | 174.5° |
| C3 | N7 | C8 | O10 | 2.0° | 5.5° |
| C4 | C5 | N6 | H5 | 180.0° | 179.9° |
| C4 | C5 | N6 | C1 | 0.2° | 0.1° |
| H4 | C4 | C5 | N6 | 179.8° | 179.9° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| C5 | N6 | C1 | C2 | 0.0° | 0.3° |
| C5 | N6 | C1 | H1 | 180.0° | 180.0° |
| H5 | C5 | N6 | C1 | 179.8° | 180.0° |
| C2 | C1 | N6 | H1 | 180.0° | 179.8° |
| N6 | C1 | C2 | H2 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.2° |
| N7 | C8 | C9 | O10 | 179.0° | 180.0° |
| N7 | C8 | C9 | C11 | 112.6° | 179.5° |
| N7 | C8 | C9 | C15 | 68.0° | 0.0° |
| HN7 | N7 | C8 | C9 | 3.2° | 5.5° |
| HN7 | N7 | C8 | O10 | 178.0° | 174.5° |
| C8 | C9 | C11 | C15 | 179.4° | 179.5° |
| C8 | C9 | C11 | C12 | 178.9° | 180.0° |
| C8 | C9 | C11 | C19 | 1.2° | 0.3° |
| C8 | C9 | C15 | C14 | 178.9° | 180.0° |
| C8 | C9 | C15 | H15 | 1.1° | 0.2° |
| O10 | C8 | C9 | C11 | 68.4° | 0.5° |
| O10 | C8 | C9 | C15 | 111.0° | 180.0° |
| C9 | C11 | C12 | C19 | 179.9° | 179.7° |
| C9 | C11 | C12 | C13 | 0.1° | 0.2° |
| C9 | C11 | C12 | H12 | 179.9° | 179.8° |
| C11 | C9 | C15 | C14 | 0.6° | 0.5° |
| C11 | C9 | C15 | H15 | 179.5° | 179.7° |
| C9 | C11 | C19 | N20 | 97.2° | 79.7° |
| C9 | C11 | C19 | H191 | 28.1° | 40.3° |
| C9 | C11 | C19 | H192 | 137.5° | 160.3° |
| C15 | C9 | C11 | C12 | 0.5° | 0.5° |
| C15 | C9 | C11 | C19 | 179.4° | 179.7° |
| C9 | C15 | C14 | C13 | 0.2° | 0.3° |
| C9 | C15 | C14 | H15 | 179.9° | 179.7° |
| C9 | C15 | C14 | C16 | 179.8° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| C12 | C11 | C19 | N20 | 82.7° | 100.0° |
| C12 | C11 | C19 | H191 | 152.0° | 140.0° |
| C12 | C11 | C19 | H192 | 42.6° | 20.0° |
| C19 | C11 | C12 | C13 | 179.8° | 180.0° |
| C19 | C11 | C12 | H12 | 0.2° | 0.0° |
| C11 | C19 | N20 | H191 | 125.3° | 120.0° |
| C11 | C19 | N20 | H192 | 125.3° | 120.0° |
| C11 | C19 | H191 | H192 | 118.6° | 119.9° |
| C11 | C19 | N20 | C21 | 95.4° | 180.0° |
| C11 | C19 | N20 | H20 | 84.6° | 0.0° |
| C12 | C13 | C14 | H13 | 179.9° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | C16 | 179.4° | 179.9° |
| H12 | C12 | C13 | C14 | 179.7° | 179.9° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
| C13 | C14 | C15 | C16 | 179.6° | 179.9° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C13 | C14 | C16 | N17 | 8.4° | 0.1° |
| C13 | C14 | C16 | N18 | 171.5° | 180.0° |
| H13 | C13 | C14 | C15 | 179.7° | 180.0° |
| H13 | C13 | C14 | C16 | 0.7° | 0.0° |
| C15 | C14 | C16 | N17 | 171.2° | 180.0° |
| C15 | C14 | C16 | N18 | 8.9° | 0.1° |
| C16 | C14 | C15 | H15 | 0.2° | 0.1° |
| C14 | C16 | N17 | N18 | 179.9° | 179.9° |
| C14 | C16 | N17 | H17 | 47.0° | 0.1° |
| C14 | C16 | N18 | H181 | 180.0° | 21.4° |
| C14 | C16 | N18 | H182 | 54.7° | 180.0° |
| N17 | C16 | N18 | H181 | 0.1° | 158.5° |
| N17 | C16 | N18 | H182 | 125.4° | 0.1° |
| N18 | C16 | N17 | H17 | 133.1° | 180.0° |
| C16 | N18 | H181 | H182 | 125.3° | 76.0° |
| N20 | C19 | H191 | H192 | 118.7° | 120.0° |
| C19 | N20 | C21 | H20 | 180.0° | 180.0° |
| C19 | N20 | C21 | C22 | 163.9° | 180.0° |
| C19 | N20 | C21 | O24 | 15.2° | 0.0° |
| H191 | C19 | N20 | C21 | 29.9° | 60.0° |
| H191 | C19 | N20 | H20 | 150.1° | 120.0° |
| H192 | C19 | N20 | C21 | 139.3° | 60.0° |
| H192 | C19 | N20 | H20 | 40.7° | 119.9° |
| N20 | C21 | C22 | O24 | 179.0° | 179.9° |
| N20 | C21 | C22 | N23 | 156.6° | 180.0° |
| N20 | C21 | C22 | H221 | 78.2° | 60.0° |
| N20 | C21 | C22 | H222 | 31.3° | 60.1° |
| H20 | N20 | C21 | C22 | 16.2° | 0.0° |
| H20 | N20 | C21 | O24 | 164.8° | 180.0° |
| C21 | C22 | N23 | H221 | 125.2° | 120.0° |
| C21 | C22 | N23 | H222 | 125.2° | 119.9° |
| C21 | C22 | H221 | H222 | 115.4° | 120.0° |
| C21 | C22 | N23 | C25 | 66.2° | 86.2° |
| C21 | C22 | N23 | C29 | 117.2° | 94.3° |
| O24 | C21 | C22 | N23 | 22.4° | 0.1° |
| O24 | C21 | C22 | H221 | 102.8° | 119.9° |
| O24 | C21 | C22 | H222 | 147.7° | 120.0° |
| N23 | C22 | H221 | H222 | 115.5° | 120.0° |
| C22 | N23 | C25 | C29 | 176.8° | 179.5° |
| C22 | N23 | C25 | C26 | 175.2° | 180.0° |
| C22 | N23 | C25 | O48 | 3.2° | 0.2° |
| C22 | N23 | C29 | C28 | 174.6° | 180.0° |
| C22 | N23 | C29 | C30 | 8.5° | 0.3° |
| H221 | C22 | N23 | C25 | 168.5° | 153.8° |
| H221 | C22 | N23 | C29 | 8.0° | 25.7° |
| H222 | C22 | N23 | C25 | 59.0° | 33.7° |
| H222 | C22 | N23 | C29 | 117.5° | 145.8° |
| N23 | C25 | C26 | O48 | 178.5° | 179.8° |
| N23 | C25 | C26 | N27 | 0.2° | 0.2° |
| N23 | C25 | C26 | N31 | 179.0° | 179.7° |
| C25 | N23 | C29 | C28 | 1.9° | 0.5° |
| C25 | N23 | C29 | C30 | 175.0° | 179.8° |
| C29 | N23 | C25 | C26 | 1.6° | 0.5° |
| C29 | N23 | C25 | O48 | 179.9° | 179.7° |
| N23 | C29 | C28 | N27 | 0.8° | 0.3° |
| N23 | C29 | C28 | C30 | 177.0° | 179.7° |
| N23 | C29 | C28 | H28 | 179.2° | 179.8° |
| N23 | C29 | C30 | C35 | 117.8° | 52.8° |
| N23 | C29 | C30 | C39 | 60.4° | 126.9° |
| C25 | C26 | N27 | N31 | 179.2° | 179.9° |
| C25 | C26 | N27 | C28 | 0.9° | 0.0° |
| C25 | C26 | N31 | C32 | 168.0° | 179.9° |
| C25 | C26 | N31 | H31 | 66.7° | 0.0° |
| O48 | C25 | C26 | N27 | 178.8° | 180.0° |
| O48 | C25 | C26 | N31 | 0.4° | 0.1° |
| C26 | N27 | C28 | C29 | 0.7° | 0.1° |
| C26 | N27 | C28 | H28 | 179.3° | 179.9° |
| N27 | C26 | N31 | C32 | 11.1° | 0.0° |
| N27 | C26 | N31 | H31 | 114.1° | 180.0° |
| N31 | C26 | N27 | C28 | 179.9° | 179.9° |
| C26 | N31 | C32 | H31 | 125.3° | 180.0° |
| C26 | N31 | C32 | C33 | 150.6° | 155.0° |
| C26 | N31 | C32 | C34 | 87.3° | 85.0° |
| C26 | N31 | C32 | H32 | 31.5° | 34.9° |
| N27 | C28 | C29 | H28 | 180.0° | 179.9° |
| N27 | C28 | C29 | C30 | 176.2° | 180.0° |
| C28 | C29 | C30 | C35 | 65.2° | 126.9° |
| C28 | C29 | C30 | C39 | 116.6° | 53.4° |
| H28 | C28 | C29 | C30 | 3.8° | 0.1° |
| C29 | C30 | C35 | C39 | 178.2° | 179.7° |
| C29 | C30 | C35 | C36 | 178.5° | 179.9° |
| C29 | C30 | C35 | H35 | 1.5° | 0.1° |
| C29 | C30 | C39 | C38 | 178.4° | 179.7° |
| C29 | C30 | C39 | H39 | 1.6° | 0.2° |
| C30 | C35 | C36 | H35 | 180.0° | 179.9° |
| C30 | C35 | C36 | C37 | 0.3° | 0.1° |
| C30 | C35 | C36 | N40 | 179.5° | 180.0° |
| C35 | C30 | C39 | C38 | 0.2° | 0.6° |
| C35 | C30 | C39 | H39 | 179.8° | 179.9° |
| C39 | C30 | C35 | C36 | 0.3° | 0.4° |
| C39 | C30 | C35 | H35 | 179.7° | 179.8° |
| C30 | C39 | C38 | C37 | 0.1° | 0.5° |
| C30 | C39 | C38 | H39 | 180.0° | 179.5° |
| C30 | C39 | C38 | C41 | 178.5° | 179.7° |
| N31 | C32 | C33 | C34 | 119.7° | 120.0° |
| N31 | C32 | C33 | H32 | 121.5° | 120.0° |
| N31 | C32 | C34 | H32 | 121.4° | 119.9° |
| N31 | C32 | C33 | H331 | 180.0° | 60.0° |
| N31 | C32 | C33 | H332 | 54.7° | 180.0° |
| N31 | C32 | C33 | H333 | 54.7° | 60.1° |
| N31 | C32 | C34 | H341 | 180.0° | 60.1° |
| N31 | C32 | C34 | H342 | 54.7° | 60.0° |
| N31 | C32 | C34 | H343 | 54.7° | 180.0° |
| H31 | N31 | C32 | C33 | 84.1° | 24.9° |
| H31 | N31 | C32 | C34 | 38.0° | 95.1° |
| H31 | N31 | C32 | H32 | 156.8° | 145.0° |
| C33 | C32 | C34 | H32 | 119.1° | 120.1° |
| C32 | C33 | H331 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H333 | 125.2° | 120.1° |
| C32 | C33 | H332 | H333 | 118.6° | 120.0° |
| C33 | C32 | C34 | H341 | 60.5° | 59.9° |
| C33 | C32 | C34 | H342 | 64.8° | 180.0° |
| C33 | C32 | C34 | H343 | 174.3° | 60.0° |
| C34 | C32 | C33 | H331 | 60.3° | 60.0° |
| C34 | C32 | C33 | H332 | 174.4° | 60.0° |
| C34 | C32 | C33 | H333 | 65.0° | 180.0° |
| C32 | C34 | H341 | H342 | 125.3° | 120.0° |
| C32 | C34 | H341 | H343 | 125.3° | 119.9° |
| C32 | C34 | H342 | H343 | 118.5° | 120.0° |
| H32 | C32 | C33 | H331 | 58.6° | 180.0° |
| H32 | C32 | C33 | H332 | 66.8° | 60.0° |
| H32 | C32 | C33 | H333 | 176.2° | 60.0° |
| H32 | C32 | C34 | H341 | 58.6° | NaN° |
| H32 | C32 | C34 | H342 | 176.1° | 60.0° |
| H32 | C32 | C34 | H343 | 66.7° | 60.1° |
| H331 | C33 | H332 | H333 | 118.7° | 120.0° |
| H341 | C34 | H342 | H343 | 118.5° | 120.0° |
| C35 | C36 | C37 | N40 | 179.2° | 179.9° |
| C35 | C36 | C37 | C38 | 0.2° | 0.1° |
| C35 | C36 | C37 | H37 | 179.8° | 180.0° |
| C35 | C36 | N40 | H401 | 180.0° | 179.9° |
| C35 | C36 | N40 | H402 | 54.8° | 0.0° |
| H35 | C35 | C36 | C37 | 179.7° | 180.0° |
| H35 | C35 | C36 | N40 | 0.5° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.3° |
| C36 | C37 | C38 | C41 | 178.6° | 180.0° |
| C37 | C36 | N40 | H401 | 0.8° | 0.0° |
| C37 | C36 | N40 | H402 | 126.1° | 179.9° |
| N40 | C36 | C37 | C38 | 179.4° | 180.0° |
| N40 | C36 | C37 | H37 | 0.6° | 0.1° |
| C36 | N40 | H401 | H402 | 125.2° | 179.9° |
| C37 | C38 | C39 | C41 | 178.5° | 179.7° |
| C37 | C38 | C39 | H39 | 179.9° | 180.0° |
| C37 | C38 | C41 | N42 | 31.5° | 0.0° |
| C37 | C38 | C41 | O46 | 148.8° | 180.0° |
| H37 | C37 | C38 | C39 | 179.9° | 179.8° |
| H37 | C37 | C38 | C41 | 1.4° | 0.0° |
| C39 | C38 | C41 | N42 | 146.9° | 179.7° |
| C39 | C38 | C41 | O46 | 32.8° | 0.3° |
| C41 | C38 | C39 | H39 | 1.5° | 0.3° |
| C38 | C41 | N42 | O46 | 179.7° | 180.0° |
| C38 | C41 | N42 | C43 | 179.6° | 180.0° |
| C38 | C41 | N42 | H42 | 0.3° | 0.0° |
| C41 | N42 | C43 | H42 | 180.0° | 180.0° |
| C41 | N42 | C43 | C44 | 121.6° | 155.0° |
| C41 | N42 | C43 | C47 | 115.4° | 85.0° |
| C41 | N42 | C43 | H43 | 4.0° | 35.0° |
| O46 | C41 | N42 | C43 | 0.7° | 0.0° |
| O46 | C41 | N42 | H42 | 179.4° | 180.0° |
| N42 | C43 | C44 | C47 | 120.9° | 120.0° |
| N42 | C43 | C44 | H43 | 119.9° | 120.0° |
| N42 | C43 | C47 | H43 | 120.0° | 120.0° |
| N42 | C43 | C44 | C45 | 114.1° | 65.0° |
| N42 | C43 | C44 | H441 | 11.2° | 175.0° |
| N42 | C43 | C44 | H442 | 120.7° | 55.0° |
| N42 | C43 | C47 | H471 | 180.0° | 60.0° |
| N42 | C43 | C47 | H472 | 54.8° | 60.0° |
| N42 | C43 | C47 | H473 | 54.8° | 180.0° |
| H42 | N42 | C43 | C44 | 58.5° | 25.0° |
| H42 | N42 | C43 | C47 | 64.6° | 95.0° |
| H42 | N42 | C43 | H43 | 176.1° | 145.0° |
| C44 | C43 | C47 | H43 | 117.5° | 120.0° |
| C43 | C44 | C45 | H441 | 125.3° | 120.0° |
| C43 | C44 | C45 | H442 | 125.3° | 120.0° |
| C43 | C44 | H441 | H442 | 115.7° | 120.0° |
| C43 | C44 | C45 | H451 | 179.9° | 180.0° |
| C43 | C44 | C45 | H452 | 54.8° | 60.0° |
| C43 | C44 | C45 | H453 | 54.7° | 60.0° |
| C44 | C43 | C47 | H471 | 57.5° | 60.0° |
| C44 | C43 | C47 | H472 | 67.7° | 180.0° |
| C44 | C43 | C47 | H473 | 177.3° | 60.0° |
| C47 | C43 | C44 | C45 | 125.0° | 175.0° |
| C47 | C43 | C44 | H441 | 109.7° | 55.0° |
| C47 | C43 | C44 | H442 | 0.2° | 65.0° |
| C43 | C47 | H471 | H472 | 125.3° | 120.0° |
| C43 | C47 | H471 | H473 | 125.2° | 120.0° |
| C43 | C47 | H472 | H473 | 118.6° | 120.1° |
| H43 | C43 | C44 | C45 | 5.8° | 55.0° |
| H43 | C43 | C44 | H441 | 131.1° | 65.0° |
| H43 | C43 | C44 | H442 | 119.4° | 175.0° |
| H43 | C43 | C47 | H471 | 60.0° | 180.0° |
| H43 | C43 | C47 | H472 | 174.8° | 60.0° |
| H43 | C43 | C47 | H473 | 65.2° | 60.0° |
| C45 | C44 | H441 | H442 | 115.6° | 120.0° |
| C44 | C45 | H451 | H452 | 125.2° | 120.1° |
| C44 | C45 | H451 | H453 | 125.4° | 120.0° |
| C44 | C45 | H452 | H453 | 115.7° | 120.0° |
| H441 | C44 | C45 | H451 | 54.8° | 60.0° |
| H441 | C44 | C45 | H452 | 180.0° | 60.0° |
| H441 | C44 | C45 | H453 | 70.6° | NaN° |
| H442 | C44 | C45 | H451 | 54.7° | 60.0° |
| H442 | C44 | C45 | H452 | 70.5° | 180.0° |
| H442 | C44 | C45 | H453 | 179.9° | 60.0° |
| H451 | C45 | H452 | H453 | 115.7° | 120.0° |
| H471 | C47 | H472 | H473 | 118.6° | 119.9° |
