N53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.44Å | Aromatic |
| C1 | O41 | sing | 1.36Å | 1.45Å | |
| C2 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C7 | C39 | sing | 1.48Å | 1.46Å | |
| C8 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.44Å | Aromatic |
| C9 | O41 | sing | 1.36Å | 1.46Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C37 | sing | 1.51Å | 1.48Å | |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| N19 | C24 | sing | 1.47Å | 1.49Å | |
| N19 | C34 | sing | 1.35Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C20 | C37 | sing | 1.53Å | 1.56Å | |
| C21 | N22 | sing | 1.47Å | 1.48Å | |
| N22 | C23 | sing | 1.47Å | 1.49Å | |
| N22 | C36 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C28 | sing | 1.51Å | 1.51Å | |
| C25 | N29 | doub | 1.31Å | 1.34Å | Aromatic |
| C25 | C42 | sing | 1.40Å | 1.37Å | Aromatic |
| C26 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | C42 | sing | 1.51Å | 1.48Å | |
| N27 | C28 | sing | 1.47Å | 1.50Å | |
| N27 | C34 | sing | 1.35Å | 1.35Å | |
| C28 | C32 | sing | 1.53Å | 1.55Å | |
| C28 | C33 | sing | 1.53Å | 1.54Å | |
| N29 | N30 | sing | 1.40Å | 1.40Å | Aromatic |
| N30 | C31 | sing | 1.36Å | 1.35Å | Aromatic |
| C31 | N38 | sing | 1.39Å | 1.49Å | |
| C31 | C42 | doub | 1.36Å | 1.42Å | Aromatic |
| C34 | O35 | doub | 1.22Å | 1.24Å | |
| N38 | C39 | sing | 1.35Å | 1.34Å | |
| C39 | O40 | doub | 1.22Å | 1.23Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| N38 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 119.9° |
| C2 | C1 | O41 | 114.6° | 120.1° |
| C1 | C2 | C3 | 120.0° | 119.9° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C6 | C1 | O41 | 125.2° | 120.1° |
| C1 | C6 | C5 | 120.1° | 119.9° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C1 | O41 | C9 | 126.0° | 118.0° |
| C2 | C3 | C4 | 119.3° | 120.1° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | 121.4° | 120.1° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | H4 | 119.3° | 120.0° |
| C4 | C5 | C6 | 119.1° | 120.1° |
| C5 | C4 | H4 | 119.3° | 120.0° |
| C4 | C5 | H5 | 120.4° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| C6 | C5 | H5 | 120.4° | 119.9° |
| C8 | C7 | C12 | 119.9° | 119.7° |
| C8 | C7 | C39 | 120.0° | 120.1° |
| C7 | C8 | C9 | 120.0° | 119.8° |
| C7 | C8 | H8 | 120.0° | 120.1° |
| C12 | C7 | C39 | 120.1° | 120.1° |
| C7 | C12 | C11 | 120.5° | 120.0° |
| C7 | C12 | H12 | 119.7° | 120.0° |
| C7 | C39 | N38 | 115.9° | 120.0° |
| C7 | C39 | O40 | 122.9° | 120.1° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C8 | C9 | O41 | 114.3° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.1° |
| C10 | C9 | O41 | 125.7° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.2° |
| C9 | C10 | H10 | 119.9° | 119.9° |
| C10 | C11 | C12 | 119.5° | 120.2° |
| C11 | C10 | H10 | 119.9° | 119.9° |
| C10 | C11 | H11 | 120.2° | 119.9° |
| C11 | C12 | H12 | 119.8° | 120.0° |
| C12 | C11 | H11 | 120.2° | 119.9° |
| C14 | C13 | C18 | 120.2° | 120.0° |
| C14 | C13 | C37 | 122.6° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C18 | C13 | C37 | 117.0° | 120.0° |
| C13 | C18 | C17 | 119.9° | 120.0° |
| C13 | C18 | H18 | 120.0° | 120.0° |
| C13 | C37 | C20 | 117.3° | 109.4° |
| C13 | C37 | H371 | 107.5° | 109.5° |
| C13 | C37 | H372 | 107.5° | 109.5° |
| C14 | C15 | C16 | 119.5° | 120.0° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | C17 | 120.9° | 120.0° |
| C16 | C15 | H15 | 120.2° | 120.0° |
| C15 | C16 | H16 | 119.6° | 120.0° |
| C16 | C17 | C18 | 119.4° | 120.0° |
| C17 | C16 | H16 | 119.5° | 120.0° |
| C16 | C17 | H17 | 120.3° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C18 | C17 | H17 | 120.3° | 120.0° |
| C20 | N19 | C24 | 109.5° | 118.2° |
| C20 | N19 | C34 | 114.7° | 120.9° |
| N19 | C20 | C21 | 108.7° | 108.5° |
| N19 | C20 | C37 | 110.6° | 109.6° |
| N19 | C20 | H20 | 107.9° | 109.6° |
| C24 | N19 | C34 | 105.8° | 120.9° |
| N19 | C24 | C23 | 109.6° | 108.5° |
| N19 | C24 | H241 | 109.4° | 109.6° |
| N19 | C24 | H242 | 109.5° | 109.6° |
| N19 | C34 | N27 | 119.2° | 120.0° |
| N19 | C34 | O35 | 119.8° | 120.0° |
| C21 | C20 | C37 | 115.8° | 109.6° |
| C20 | C21 | N22 | 107.9° | 109.3° |
| C21 | C20 | H20 | 106.7° | 109.7° |
| C20 | C21 | H211 | 109.8° | 109.4° |
| C20 | C21 | H212 | 109.9° | 109.6° |
| C20 | C37 | H371 | 107.5° | 109.5° |
| C20 | C37 | H372 | 107.5° | 109.5° |
| C37 | C20 | H20 | 106.9° | 109.8° |
| C21 | N22 | C23 | 109.6° | 111.3° |
| C21 | N22 | C36 | 111.6° | 111.0° |
| N22 | C21 | H211 | 109.9° | 109.5° |
| N22 | C21 | H212 | 109.9° | 109.5° |
| C23 | N22 | C36 | 113.3° | 111.0° |
| N22 | C23 | C24 | 109.6° | 109.4° |
| N22 | C23 | H231 | 109.4° | 109.5° |
| N22 | C23 | H232 | 109.5° | 109.5° |
| N22 | C36 | H361 | 109.5° | 109.5° |
| N22 | C36 | H362 | 109.4° | 109.5° |
| N22 | C36 | H363 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.6° |
| C23 | C24 | H242 | 109.5° | 109.7° |
| C24 | C23 | H231 | 109.5° | 109.5° |
| C24 | C23 | H232 | 109.4° | 109.5° |
| C28 | C25 | N29 | 131.1° | 143.1° |
| C28 | C25 | C42 | 115.6° | 108.6° |
| C25 | C28 | N27 | 98.1° | 107.8° |
| C25 | C28 | C32 | 113.2° | 109.8° |
| C25 | C28 | C33 | 108.1° | 109.8° |
| N29 | C25 | C42 | 113.2° | 108.3° |
| C25 | N29 | N30 | 105.9° | 108.5° |
| C25 | C42 | C26 | 109.1° | 108.7° |
| C25 | C42 | C31 | 103.2° | 107.9° |
| N27 | C26 | C42 | 102.9° | 107.7° |
| C26 | N27 | C28 | 113.8° | 107.2° |
| C26 | N27 | C34 | 124.3° | 126.3° |
| N27 | C26 | H261 | 111.1° | 109.9° |
| N27 | C26 | H262 | 111.1° | 109.8° |
| C26 | C42 | C31 | 147.4° | 143.4° |
| C42 | C26 | H261 | 111.1° | 109.4° |
| C42 | C26 | H262 | 111.1° | 110.2° |
| C28 | N27 | C34 | 121.9° | 126.4° |
| N27 | C28 | C32 | 112.8° | 109.8° |
| N27 | C28 | C33 | 114.4° | 109.8° |
| N27 | C34 | O35 | 121.0° | 120.0° |
| C32 | C28 | C33 | 109.8° | 109.8° |
| C28 | C32 | H321 | 109.5° | 109.5° |
| C28 | C32 | H322 | 109.5° | 109.5° |
| C28 | C32 | H323 | 109.5° | 109.5° |
| C28 | C33 | H331 | 109.5° | 109.5° |
| C28 | C33 | H332 | 109.4° | 109.5° |
| C28 | C33 | H333 | 109.5° | 109.5° |
| N29 | N30 | C31 | 108.3° | 107.8° |
| N29 | N30 | H30 | 125.9° | 126.1° |
| N30 | C31 | N38 | 125.3° | 126.3° |
| N30 | C31 | C42 | 109.3° | 107.4° |
| C31 | N30 | H30 | 125.8° | 126.1° |
| N38 | C31 | C42 | 125.4° | 126.3° |
| C31 | N38 | C39 | 122.1° | 120.0° |
| C31 | N38 | H38 | 118.9° | 120.0° |
| N38 | C39 | O40 | 121.2° | 120.0° |
| C39 | N38 | H38 | 119.0° | 120.0° |
| H371 | C37 | H372 | 109.4° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.8° |
| H211 | C21 | H212 | 109.5° | 109.6° |
| H231 | C23 | H232 | 109.5° | 109.6° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.8° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H331 | C33 | H333 | 109.4° | 109.4° |
| H332 | C33 | H333 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O41 | 175.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C2 | C1 | C6 | C5 | 1.7° | 0.0° |
| C2 | C1 | O41 | C9 | 142.5° | 66.6° |
| C2 | C1 | C6 | H6 | 178.2° | 180.0° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C6 | C1 | C2 | C3 | 2.0° | 0.1° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | O41 | C9 | 42.3° | 113.7° |
| C6 | C1 | C2 | H2 | 178.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.5° | 180.0° |
| O41 | C1 | C2 | C3 | 173.5° | 179.8° |
| O41 | C1 | C6 | C5 | 173.2° | 179.7° |
| C1 | O41 | C9 | C8 | 147.6° | 5.7° |
| C1 | O41 | C9 | C10 | 36.7° | 174.4° |
| O41 | C1 | C2 | H2 | 6.5° | 0.3° |
| O41 | C1 | C6 | H6 | 6.8° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C2 | H2 | 179.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.4° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C8 | C7 | C12 | C39 | 178.9° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.9° | 0.0° |
| C7 | C8 | C9 | O41 | 175.1° | 179.9° |
| C8 | C7 | C12 | C11 | 1.8° | 0.1° |
| C8 | C7 | C39 | N38 | 163.9° | 180.0° |
| C8 | C7 | C39 | O40 | 16.9° | 0.0° |
| C8 | C7 | C12 | H12 | 178.2° | 180.0° |
| C12 | C7 | C8 | C9 | 1.9° | 0.0° |
| C7 | C12 | C11 | C10 | 0.6° | 0.0° |
| C7 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C7 | C39 | N38 | 17.3° | 0.3° |
| C12 | C7 | C39 | O40 | 161.9° | 179.7° |
| C12 | C7 | C8 | H8 | 178.1° | 180.0° |
| C7 | C12 | C11 | H11 | 179.4° | 180.0° |
| C39 | C7 | C8 | C9 | 179.2° | 179.7° |
| C39 | C7 | C12 | C11 | 179.4° | 179.7° |
| C7 | C39 | N38 | C31 | 179.7° | 180.0° |
| C7 | C39 | N38 | O40 | 179.2° | 180.0° |
| C39 | C7 | C8 | H8 | 0.8° | 0.4° |
| C39 | C7 | C12 | H12 | 0.6° | 0.3° |
| C7 | C39 | N38 | H38 | 0.3° | 0.0° |
| C8 | C9 | C10 | O41 | 175.5° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C10 | C9 | C8 | H8 | 179.1° | 179.9° |
| C9 | C10 | C11 | H11 | 179.6° | 180.0° |
| O41 | C9 | C10 | C11 | 175.8° | 180.0° |
| O41 | C9 | C8 | H8 | 4.9° | 0.0° |
| O41 | C9 | C10 | H10 | 4.2° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| C12 | C11 | C10 | H10 | 179.6° | 180.0° |
| C14 | C13 | C18 | C37 | 175.6° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.7° | 0.0° |
| C14 | C13 | C18 | C17 | 1.8° | 0.1° |
| C14 | C13 | C37 | C20 | 26.8° | 94.4° |
| C14 | C13 | C18 | H18 | 178.2° | 180.0° |
| C14 | C13 | C37 | H371 | 148.0° | 145.6° |
| C14 | C13 | C37 | H372 | 94.3° | 25.6° |
| C13 | C14 | C15 | H15 | 179.3° | 180.0° |
| C18 | C13 | C14 | C15 | 1.7° | 0.1° |
| C13 | C18 | C17 | C16 | 0.8° | 0.1° |
| C13 | C18 | C17 | H18 | 180.0° | 179.9° |
| C18 | C13 | C37 | C20 | 157.6° | 85.9° |
| C18 | C13 | C14 | H14 | 178.3° | 180.0° |
| C18 | C13 | C37 | H371 | 36.5° | 34.2° |
| C18 | C13 | C37 | H372 | 81.2° | 154.2° |
| C13 | C18 | C17 | H17 | 179.2° | 180.0° |
| C37 | C13 | C14 | C15 | 173.7° | 179.7° |
| C37 | C13 | C18 | C17 | 173.9° | 179.7° |
| C13 | C37 | C20 | N19 | 171.7° | 178.8° |
| C13 | C37 | C20 | C21 | 64.2° | 62.2° |
| C13 | C37 | C20 | H371 | 121.1° | 120.0° |
| C13 | C37 | C20 | H372 | 121.1° | 120.0° |
| C37 | C13 | C14 | H14 | 6.3° | 0.2° |
| C37 | C13 | C18 | H18 | 6.2° | 0.2° |
| C13 | C37 | H371 | H372 | 116.4° | 120.0° |
| C13 | C37 | C20 | H20 | 54.5° | 58.4° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C15 | C14 | H14 | 179.4° | 180.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H18 | 179.2° | 180.0° |
| C17 | C16 | C15 | H15 | 179.7° | 180.0° |
| C18 | C17 | C16 | H16 | 179.8° | 179.9° |
| C20 | N19 | C24 | C34 | 124.2° | 179.7° |
| N19 | C20 | C21 | C37 | 125.1° | 119.6° |
| N19 | C20 | C21 | H20 | 116.1° | 119.8° |
| N19 | C20 | C37 | H20 | 117.1° | 120.5° |
| N19 | C20 | C21 | N22 | 61.6° | 53.9° |
| C20 | N19 | C24 | C23 | 60.5° | 51.2° |
| C20 | N19 | C34 | N27 | 154.4° | 171.3° |
| C20 | N19 | C34 | O35 | 24.7° | 8.7° |
| N19 | C20 | C37 | H371 | 67.2° | 61.2° |
| N19 | C20 | C37 | H372 | 50.5° | 58.9° |
| C20 | N19 | C24 | H241 | 179.4° | 170.9° |
| C20 | N19 | C24 | H242 | 59.5° | 68.5° |
| N19 | C20 | C21 | H211 | 178.6° | 173.8° |
| N19 | C20 | C21 | H212 | 58.2° | 66.1° |
| C24 | N19 | C20 | C21 | 61.2° | 51.2° |
| C24 | N19 | C20 | C37 | 170.7° | 170.9° |
| N19 | C24 | C23 | N22 | 59.5° | 53.8° |
| N19 | C24 | C23 | H241 | 120.0° | 119.7° |
| N19 | C24 | C23 | H242 | 120.0° | 119.7° |
| C24 | N19 | C34 | N27 | 84.8° | 8.9° |
| C24 | N19 | C34 | O35 | 96.1° | 171.0° |
| C24 | N19 | C20 | H20 | 54.1° | 68.6° |
| N19 | C24 | H241 | H242 | 119.9° | 120.4° |
| N19 | C24 | C23 | H231 | 179.5° | 173.8° |
| N19 | C24 | C23 | H232 | 60.5° | 66.1° |
| C34 | N19 | C20 | C21 | 179.9° | 128.5° |
| C34 | N19 | C20 | C37 | 51.9° | 8.9° |
| C34 | N19 | C24 | C23 | 175.3° | 128.5° |
| N19 | C34 | N27 | C26 | 2.8° | 8.3° |
| N19 | C34 | N27 | C28 | 176.0° | 172.3° |
| N19 | C34 | N27 | O35 | 179.1° | 180.0° |
| C34 | N19 | C20 | H20 | 64.6° | 111.7° |
| C34 | N19 | C24 | H241 | 55.3° | 8.8° |
| C34 | N19 | C24 | H242 | 64.7° | 111.7° |
| C21 | C20 | C37 | H20 | 118.7° | 120.6° |
| C20 | C21 | N22 | H211 | 119.7° | 119.9° |
| C20 | C21 | N22 | H212 | 119.8° | 120.0° |
| C20 | C21 | N22 | C23 | 61.1° | 63.1° |
| C20 | C21 | N22 | C36 | 172.6° | 172.7° |
| C21 | C20 | C37 | H371 | 57.0° | 57.7° |
| C21 | C20 | C37 | H372 | 174.7° | 177.8° |
| C20 | C21 | H211 | H212 | 120.7° | 120.1° |
| C37 | C20 | C21 | N22 | 173.3° | 173.5° |
| C20 | C37 | H371 | H372 | 116.5° | 120.0° |
| C37 | C20 | C21 | H211 | 53.5° | 66.6° |
| C37 | C20 | C21 | H212 | 67.0° | 53.5° |
| C21 | N22 | C23 | C36 | 125.3° | 124.2° |
| C21 | N22 | C23 | C24 | 60.9° | 63.1° |
| N22 | C21 | C20 | H20 | 54.5° | 65.9° |
| N22 | C21 | H211 | H212 | 120.7° | 120.1° |
| C21 | N22 | C23 | H231 | 179.1° | 177.0° |
| C21 | N22 | C23 | H232 | 59.1° | 56.8° |
| C21 | N22 | C36 | H361 | 180.0° | 60.0° |
| C21 | N22 | C36 | H362 | 60.0° | 180.0° |
| C21 | N22 | C36 | H363 | 60.0° | 60.0° |
| N22 | C23 | C24 | H231 | 120.0° | 120.0° |
| N22 | C23 | C24 | H232 | 120.0° | 119.9° |
| N22 | C23 | C24 | H241 | 179.5° | 173.5° |
| N22 | C23 | C24 | H242 | 60.5° | 65.9° |
| C23 | N22 | C21 | H211 | 179.2° | 177.0° |
| C23 | N22 | C21 | H212 | 58.7° | 56.9° |
| N22 | C23 | H231 | H232 | 120.0° | 120.1° |
| C23 | N22 | C36 | H361 | 55.7° | 64.3° |
| C23 | N22 | C36 | H362 | 175.8° | 55.7° |
| C23 | N22 | C36 | H363 | 64.3° | 175.7° |
| C36 | N22 | C23 | C24 | 173.8° | 172.7° |
| C36 | N22 | C21 | H211 | 52.8° | 52.8° |
| C36 | N22 | C21 | H212 | 67.6° | 67.3° |
| C36 | N22 | C23 | H231 | 53.8° | 52.8° |
| C36 | N22 | C23 | H232 | 66.2° | 67.3° |
| N22 | C36 | H361 | H362 | 120.0° | 120.0° |
| N22 | C36 | H361 | H363 | 120.0° | 120.0° |
| N22 | C36 | H362 | H363 | 120.0° | 120.1° |
| C23 | C24 | H241 | H242 | 120.0° | 120.5° |
| C24 | C23 | H231 | H232 | 120.0° | 120.1° |
| C28 | C25 | N29 | C42 | 178.3° | 179.6° |
| C25 | C28 | N27 | C26 | 6.5° | 0.5° |
| C28 | C25 | C42 | C26 | 3.4° | 0.1° |
| C25 | C28 | N27 | C32 | 119.4° | 119.6° |
| C25 | C28 | N27 | C33 | 114.1° | 119.5° |
| C25 | C28 | N27 | C34 | 172.4° | 180.0° |
| C25 | C28 | C32 | C33 | 120.8° | 120.8° |
| C28 | C25 | N29 | N30 | 179.4° | 179.9° |
| C28 | C25 | C42 | C31 | 179.8° | 179.8° |
| C25 | C28 | C32 | H321 | 180.0° | 58.6° |
| C25 | C28 | C32 | H322 | 60.0° | 178.6° |
| C25 | C28 | C32 | H323 | 60.0° | 61.4° |
| C25 | C28 | C33 | H331 | 180.0° | 66.0° |
| C25 | C28 | C33 | H332 | 60.0° | 173.9° |
| C25 | C28 | C33 | H333 | 60.0° | 53.9° |
| N29 | C25 | C42 | C26 | 175.2° | 179.8° |
| N29 | C25 | C28 | N27 | 172.3° | 179.9° |
| N29 | C25 | C28 | C32 | 68.6° | 60.3° |
| N29 | C25 | C28 | C33 | 53.3° | 60.5° |
| C25 | N29 | N30 | C31 | 0.5° | 0.0° |
| N29 | C25 | C42 | C31 | 1.2° | 0.5° |
| C25 | N29 | N30 | H30 | 179.5° | 180.0° |
| C25 | C42 | C26 | N27 | 1.0° | 0.2° |
| C25 | C42 | C26 | C31 | 173.5° | 179.5° |
| C42 | C25 | C28 | N27 | 6.0° | 0.4° |
| C42 | C25 | C28 | C32 | 113.2° | 119.3° |
| C42 | C25 | C28 | C33 | 125.0° | 119.9° |
| C42 | C25 | N29 | N30 | 1.1° | 0.3° |
| C25 | C42 | C31 | N30 | 0.9° | 0.5° |
| C25 | C42 | C31 | N38 | 179.1° | 179.7° |
| C25 | C42 | C26 | H261 | 119.9° | 119.6° |
| C25 | C42 | C26 | H262 | 118.0° | 119.5° |
| N27 | C26 | C42 | H261 | 118.9° | 119.4° |
| N27 | C26 | C42 | H262 | 118.9° | 119.8° |
| C26 | N27 | C28 | C34 | 178.9° | 179.5° |
| C26 | N27 | C28 | C32 | 112.9° | 119.1° |
| C26 | N27 | C28 | C33 | 120.6° | 120.0° |
| N27 | C26 | C42 | C31 | 172.5° | 179.3° |
| C26 | N27 | C34 | O35 | 176.3° | 171.7° |
| N27 | C26 | H261 | H262 | 123.0° | 120.9° |
| C42 | C26 | N27 | C28 | 5.1° | 0.4° |
| C42 | C26 | N27 | C34 | 173.8° | 180.0° |
| C26 | C42 | C31 | N30 | 172.8° | 180.0° |
| C26 | C42 | C31 | N38 | 5.4° | 0.3° |
| C42 | C26 | H261 | H262 | 123.0° | 121.1° |
| N27 | C28 | C32 | C33 | 128.9° | 120.8° |
| C28 | N27 | C34 | O35 | 4.9° | 7.8° |
| C28 | N27 | C26 | H261 | 124.0° | 119.6° |
| C28 | N27 | C26 | H262 | 113.9° | 119.5° |
| N27 | C28 | C32 | H321 | 69.7° | 59.8° |
| N27 | C28 | C32 | H322 | 170.3° | 60.2° |
| N27 | C28 | C32 | H323 | 50.3° | 179.8° |
| N27 | C28 | C33 | H331 | 71.9° | 175.6° |
| N27 | C28 | C33 | H332 | 48.1° | 55.6° |
| N27 | C28 | C33 | H333 | 168.1° | 64.5° |
| C34 | N27 | C28 | C32 | 68.2° | 60.4° |
| C34 | N27 | C28 | C33 | 58.3° | 60.4° |
| C34 | N27 | C26 | H261 | 54.9° | 60.9° |
| C34 | N27 | C26 | H262 | 67.2° | 60.0° |
| C28 | C32 | H321 | H322 | 120.0° | 120.0° |
| C28 | C32 | H321 | H323 | 120.0° | 120.0° |
| C28 | C32 | H322 | H323 | 120.0° | 120.1° |
| C32 | C28 | C33 | H331 | 56.1° | 54.8° |
| C32 | C28 | C33 | H332 | 176.1° | 65.2° |
| C32 | C28 | C33 | H333 | 63.9° | 174.7° |
| C33 | C28 | C32 | H321 | 59.1° | 179.4° |
| C33 | C28 | C32 | H322 | 60.9° | 60.6° |
| C33 | C28 | C32 | H323 | 179.2° | 59.4° |
| C28 | C33 | H331 | H332 | 120.0° | 120.0° |
| C28 | C33 | H331 | H333 | 120.0° | 120.0° |
| C28 | C33 | H332 | H333 | 120.0° | 120.1° |
| N29 | N30 | C31 | H30 | 180.0° | 180.0° |
| N29 | N30 | C31 | N38 | 178.5° | 179.9° |
| N29 | N30 | C31 | C42 | 0.2° | 0.3° |
| N30 | C31 | N38 | C42 | 178.0° | 179.7° |
| N30 | C31 | N38 | C39 | 166.6° | 0.1° |
| N30 | C31 | N38 | H38 | 13.4° | 180.0° |
| C31 | N38 | C39 | H38 | 180.0° | 179.9° |
| C31 | N38 | C39 | O40 | 0.4° | 0.1° |
| N38 | C31 | N30 | H30 | 1.5° | 0.1° |
| C42 | C31 | N38 | C39 | 15.4° | 179.6° |
| C31 | C42 | C26 | H261 | 53.6° | 59.9° |
| C31 | C42 | C26 | H262 | 68.5° | 61.0° |
| C42 | C31 | N30 | H30 | 179.8° | 179.7° |
| C42 | C31 | N38 | H38 | 164.6° | 0.3° |
| O40 | C39 | N38 | H38 | 179.6° | 180.0° |
| H2 | C2 | C3 | H3 | 0.9° | 0.1° |
| H6 | C6 | C5 | H5 | 0.5° | 0.0° |
| H3 | C3 | C4 | H4 | 0.4° | 0.1° |
| H4 | C4 | C5 | H5 | 0.5° | 0.0° |
| H12 | C12 | C11 | H11 | 0.6° | 0.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
| H14 | C14 | C15 | H15 | 0.6° | 0.0° |
| H18 | C18 | C17 | H17 | 0.8° | 0.1° |
| H371 | C37 | C20 | H20 | 175.7° | 178.3° |
| H372 | C37 | C20 | H20 | 66.6° | 61.6° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H20 | C20 | C21 | H211 | 65.3° | 54.0° |
| H20 | C20 | C21 | H212 | 174.3° | 174.2° |
| H241 | C24 | C23 | H231 | 60.5° | 66.5° |
| H241 | C24 | C23 | H232 | 59.5° | 53.6° |
| H242 | C24 | C23 | H231 | 59.4° | 54.1° |
| H242 | C24 | C23 | H232 | 179.4° | 174.2° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 119.9° |
| H331 | C33 | H332 | H333 | 120.0° | 119.9° |
