A1AHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C15 | sing | 1.54Å | 1.62Å | |
| C8 | C9 | sing | 1.51Å | 1.44Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N5 | sing | 1.47Å | 1.45Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.55Å | 1.54Å | |
| O39 | C18 | doub | 1.22Å | 1.25Å | |
| C17 | C18 | sing | 1.40Å | 1.34Å | |
| C17 | C4 | doub | 1.39Å | 1.39Å | |
| N5 | C6 | sing | 1.47Å | 1.50Å | |
| N5 | C4 | sing | 1.38Å | 1.37Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.35Å | 1.34Å | |
| C4 | C3 | sing | 1.41Å | 1.40Å | |
| N19 | C20 | sing | 1.47Å | 1.50Å | |
| N19 | C2 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | doub | 1.35Å | 1.39Å | |
| C21 | C20 | sing | 1.53Å | 1.57Å | |
| C21 | N22 | sing | 1.46Å | 1.49Å | |
| C2 | C1 | sing | 1.51Å | 1.39Å | |
| N22 | C23 | sing | 1.35Å | 1.33Å | |
| C23 | O38 | doub | 1.22Å | 1.24Å | |
| C23 | N24 | sing | 1.35Å | 1.39Å | |
| N24 | C25 | sing | 1.47Å | 1.44Å | |
| C25 | C28 | sing | 1.54Å | 1.58Å | |
| C25 | C26 | sing | 1.54Å | 1.51Å | |
| N27 | C29 | sing | 1.38Å | 1.37Å | |
| N27 | C28 | sing | 1.48Å | 1.50Å | |
| N27 | C26 | sing | 1.48Å | 1.61Å | |
| C29 | N30 | doub | 1.32Å | 1.34Å | Aromatic |
| C29 | C37 | sing | 1.41Å | 1.36Å | Aromatic |
| N30 | C31 | sing | 1.34Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.34Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.34Å | Aromatic |
| C37 | N33 | sing | 1.38Å | 1.36Å | Aromatic |
| C36 | N35 | sing | 1.33Å | 1.34Å | Aromatic |
| C32 | N33 | sing | 1.38Å | 1.40Å | Aromatic |
| N33 | C34 | sing | 1.34Å | 1.34Å | Aromatic |
| N35 | C34 | doub | 1.31Å | 1.33Å | Aromatic |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H8B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C11 | H73 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H74 | sing | 1.08Å | 1.08Å | |
| C15 | H76 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H78 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H77 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H79 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H8A | sing | 1.09Å | 1.10Å | |
| C13 | H75 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H8C | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C8 | C15 | 107.9° | 110.8° |
| C16 | C8 | C9 | 118.9° | 110.6° |
| C16 | C8 | C7 | 105.4° | 110.9° |
| C8 | C16 | H78 | 109.5° | 109.5° |
| C8 | C16 | H16 | 109.5° | 109.5° |
| C8 | C16 | H77 | 109.4° | 109.5° |
| C15 | C8 | C9 | 120.4° | 110.7° |
| C15 | C8 | C7 | 83.3° | 102.9° |
| C8 | C15 | N5 | 111.9° | 107.3° |
| C8 | C15 | H76 | 108.9° | 109.9° |
| C8 | C15 | H15 | 108.9° | 109.8° |
| C9 | C8 | C7 | 114.7° | 110.7° |
| C8 | C9 | C14 | 115.7° | 120.0° |
| C8 | C9 | C10 | 129.0° | 120.0° |
| C8 | C7 | C6 | 98.8° | 101.6° |
| C8 | C7 | H72 | 112.0° | 111.0° |
| C8 | C7 | H71 | 112.1° | 111.0° |
| C13 | C14 | C9 | 122.7° | 120.0° |
| C14 | C13 | C12 | 121.1° | 120.0° |
| C14 | C13 | H75 | 119.4° | 120.1° |
| C13 | C14 | H14 | 118.6° | 120.0° |
| C14 | C9 | C10 | 115.2° | 120.0° |
| C9 | C14 | H14 | 118.6° | 120.0° |
| C15 | N5 | C6 | 98.1° | 108.6° |
| C15 | N5 | C4 | 135.0° | 125.6° |
| N5 | C15 | H76 | 108.9° | 109.9° |
| N5 | C15 | H15 | 108.8° | 109.9° |
| C13 | C12 | C11 | 115.8° | 120.0° |
| C13 | C12 | H74 | 122.1° | 120.0° |
| C12 | C13 | H75 | 119.5° | 120.0° |
| C9 | C10 | C11 | 121.8° | 120.0° |
| C9 | C10 | H10 | 119.1° | 120.0° |
| C7 | C6 | N5 | 102.2° | 105.0° |
| C7 | C6 | H62 | 111.2° | 110.3° |
| C7 | C6 | H61 | 111.3° | 110.4° |
| C6 | C7 | H72 | 112.1° | 111.0° |
| C6 | C7 | H71 | 112.1° | 111.1° |
| O39 | C18 | C17 | 118.1° | 119.9° |
| O39 | C18 | N19 | 121.8° | 119.9° |
| C18 | C17 | C4 | 121.0° | 119.1° |
| C17 | C18 | N19 | 120.0° | 120.2° |
| C18 | C17 | H17 | 119.5° | 120.4° |
| C17 | C4 | N5 | 119.2° | 120.5° |
| C17 | C4 | C3 | 119.3° | 119.0° |
| C4 | C17 | H17 | 119.5° | 120.5° |
| C6 | N5 | C4 | 126.8° | 125.8° |
| N5 | C6 | H62 | 111.3° | 110.3° |
| N5 | C6 | H61 | 111.2° | 110.4° |
| N5 | C4 | C3 | 121.1° | 120.5° |
| C12 | C11 | C10 | 123.4° | 120.0° |
| C12 | C11 | H73 | 118.3° | 120.1° |
| C11 | C12 | H74 | 122.1° | 120.0° |
| C10 | C11 | H73 | 118.3° | 119.9° |
| C11 | C10 | H10 | 119.1° | 120.0° |
| C18 | N19 | C20 | 114.7° | 119.4° |
| C18 | N19 | C2 | 121.9° | 121.1° |
| C4 | C3 | C2 | 118.5° | 119.8° |
| C4 | C3 | H3 | 120.8° | 120.1° |
| C20 | N19 | C2 | 123.4° | 119.4° |
| N19 | C20 | C21 | 118.3° | 109.5° |
| N19 | C20 | H20 | 107.2° | 109.4° |
| N19 | C20 | H79 | 107.2° | 109.4° |
| N19 | C2 | C3 | 119.2° | 120.9° |
| N19 | C2 | C1 | 120.4° | 119.5° |
| C3 | C2 | C1 | 120.4° | 119.6° |
| C2 | C3 | H3 | 120.8° | 120.1° |
| C20 | C21 | N22 | 123.8° | 109.5° |
| C21 | C20 | H20 | 107.2° | 109.5° |
| C21 | C20 | H79 | 107.2° | 109.5° |
| C20 | C21 | H21 | 105.8° | 109.5° |
| C20 | C21 | H8A | 105.8° | 109.5° |
| C21 | N22 | C23 | 119.3° | 120.1° |
| N22 | C21 | H21 | 105.8° | 109.5° |
| N22 | C21 | H8A | 105.8° | 109.5° |
| C21 | N22 | H22 | 120.4° | 119.9° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| N22 | C23 | O38 | 115.2° | 120.0° |
| N22 | C23 | N24 | 126.1° | 120.0° |
| C23 | N22 | H22 | 120.3° | 120.0° |
| O38 | C23 | N24 | 118.1° | 120.0° |
| C23 | N24 | C25 | 100.4° | 120.0° |
| C23 | N24 | H24 | 129.8° | 120.0° |
| N24 | C25 | C28 | 111.1° | 113.8° |
| N24 | C25 | C26 | 114.3° | 113.7° |
| N24 | C25 | H25 | 118.0° | 113.0° |
| C25 | N24 | H24 | 129.8° | 120.0° |
| C28 | C25 | C26 | 73.3° | 86.3° |
| C25 | C28 | N27 | 86.7° | 86.1° |
| C28 | C25 | H25 | 115.4° | 113.8° |
| C25 | C28 | H28 | 114.8° | 113.7° |
| C25 | C28 | H8C | 114.8° | 113.8° |
| C25 | C26 | N27 | 85.3° | 86.1° |
| C26 | C25 | H25 | 116.7° | 113.7° |
| C25 | C26 | H8B | 115.1° | 113.7° |
| C25 | C26 | H26 | 115.1° | 113.8° |
| C29 | N27 | C28 | 137.1° | 134.5° |
| C29 | N27 | C26 | 143.8° | 134.5° |
| N27 | C29 | N30 | 120.3° | 120.3° |
| N27 | C29 | C37 | 123.0° | 120.3° |
| C28 | N27 | C26 | 72.8° | 91.0° |
| N27 | C28 | H28 | 114.8° | 113.8° |
| N27 | C28 | H8C | 114.8° | 113.9° |
| N27 | C26 | H8B | 115.1° | 113.8° |
| N27 | C26 | H26 | 115.1° | 113.9° |
| N30 | C29 | C37 | 114.8° | 119.4° |
| C29 | N30 | C31 | 125.1° | 121.3° |
| C29 | C37 | C36 | 132.9° | 134.6° |
| C29 | C37 | N33 | 121.6° | 119.0° |
| N30 | C31 | C32 | 119.5° | 121.7° |
| N30 | C31 | H31 | 120.2° | 119.1° |
| C31 | C32 | N33 | 113.7° | 119.8° |
| C32 | C31 | H31 | 120.2° | 119.2° |
| C31 | C32 | H32 | 123.1° | 120.1° |
| C36 | C37 | N33 | 105.2° | 106.3° |
| C37 | C36 | N35 | 109.1° | 107.5° |
| C37 | C36 | H36 | 125.5° | 126.3° |
| C37 | N33 | C32 | 124.5° | 118.7° |
| C37 | N33 | C34 | 110.2° | 107.0° |
| C36 | N35 | C34 | 108.9° | 109.8° |
| N35 | C36 | H36 | 125.4° | 126.2° |
| C32 | N33 | C34 | 125.3° | 134.2° |
| N33 | C32 | H32 | 123.1° | 120.0° |
| N33 | C34 | N35 | 106.5° | 109.3° |
| N33 | C34 | H34 | 126.7° | 125.3° |
| N35 | C34 | H34 | 126.7° | 125.3° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| H13 | C1 | H11 | 109.5° | 109.5° |
| H8B | C26 | H26 | 109.5° | 113.0° |
| H62 | C6 | H61 | 109.5° | 110.3° |
| H72 | C7 | H71 | 109.5° | 110.9° |
| H76 | C15 | H15 | 109.5° | 110.0° |
| H78 | C16 | H16 | 109.5° | 109.5° |
| H78 | C16 | H77 | 109.5° | 109.4° |
| H16 | C16 | H77 | 109.5° | 109.5° |
| H20 | C20 | H79 | 109.5° | 109.5° |
| H21 | C21 | H8A | 109.5° | 109.4° |
| H28 | C28 | H8C | 109.4° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C8 | C15 | C9 | 141.1° | 123.1° |
| C16 | C8 | C15 | C7 | 104.0° | 118.5° |
| C16 | C8 | C9 | C7 | 126.0° | 123.3° |
| C16 | C8 | C9 | C14 | 66.9° | 175.9° |
| C16 | C8 | C15 | N5 | 157.3° | 96.3° |
| C16 | C8 | C9 | C10 | 108.7° | 4.1° |
| C16 | C8 | C7 | C6 | 167.1° | 83.0° |
| C16 | C8 | C7 | H72 | 48.8° | 158.9° |
| C16 | C8 | C7 | H71 | 74.7° | 35.2° |
| C16 | C8 | C15 | H76 | 82.3° | 144.2° |
| C16 | C8 | C15 | H15 | 36.9° | 23.0° |
| C8 | C16 | H78 | H16 | 120.0° | 120.1° |
| C8 | C16 | H78 | H77 | 120.0° | 120.0° |
| C8 | C16 | H16 | H77 | 120.0° | 120.0° |
| C15 | C8 | C9 | C7 | 97.0° | 113.5° |
| C15 | C8 | C9 | C14 | 70.1° | 61.0° |
| C8 | C15 | N5 | H76 | 120.4° | 119.4° |
| C8 | C15 | N5 | H15 | 120.4° | 119.4° |
| C15 | C8 | C9 | C10 | 114.3° | 119.0° |
| C15 | C8 | C7 | C6 | 60.3° | 35.5° |
| C8 | C15 | N5 | C6 | 21.5° | 1.0° |
| C8 | C15 | N5 | C4 | 155.0° | 179.0° |
| C15 | C8 | C7 | H72 | 58.0° | 82.6° |
| C15 | C8 | C7 | H71 | 178.5° | 153.6° |
| C8 | C15 | H76 | H15 | 118.9° | 121.1° |
| C15 | C8 | C16 | H78 | 180.0° | 59.9° |
| C15 | C8 | C16 | H16 | 60.0° | 180.0° |
| C15 | C8 | C16 | H77 | 60.0° | 60.0° |
| C8 | C9 | C14 | C13 | 178.0° | 179.7° |
| C8 | C9 | C14 | C10 | 176.2° | 180.0° |
| C9 | C8 | C15 | N5 | 61.6° | 140.6° |
| C9 | C8 | C7 | C6 | 60.2° | 153.8° |
| C8 | C9 | C10 | C11 | 177.8° | 179.9° |
| C9 | C8 | C7 | H72 | 178.4° | 35.8° |
| C9 | C8 | C7 | H71 | 58.1° | 88.0° |
| C8 | C9 | C10 | H10 | 2.2° | 0.0° |
| C9 | C8 | C15 | H76 | 58.8° | 21.1° |
| C9 | C8 | C15 | H15 | 178.1° | 100.0° |
| C9 | C8 | C16 | H78 | 38.2° | 63.2° |
| C9 | C8 | C16 | H16 | 158.2° | 56.8° |
| C9 | C8 | C16 | H77 | 81.8° | 176.9° |
| C8 | C9 | C14 | H14 | 1.9° | 0.0° |
| C7 | C8 | C9 | C14 | 167.1° | 52.5° |
| C7 | C8 | C15 | N5 | 53.3° | 22.2° |
| C7 | C8 | C9 | C10 | 17.3° | 127.5° |
| C8 | C7 | C6 | H72 | 118.2° | 118.1° |
| C8 | C7 | C6 | H71 | 118.2° | 118.1° |
| C8 | C7 | C6 | N5 | 58.1° | 37.0° |
| C8 | C7 | C6 | H62 | 177.0° | 81.8° |
| C8 | C7 | C6 | H61 | 60.7° | 156.0° |
| C8 | C7 | H72 | H71 | 124.9° | 123.8° |
| C7 | C8 | C15 | H76 | 173.6° | 97.2° |
| C7 | C8 | C15 | H15 | 67.1° | 141.6° |
| C7 | C8 | C16 | H78 | 92.2° | 173.6° |
| C7 | C8 | C16 | H16 | 27.8° | 66.4° |
| C7 | C8 | C16 | H77 | 147.8° | 53.6° |
| C13 | C14 | C9 | H14 | 180.0° | 179.7° |
| C14 | C13 | C12 | H75 | 180.0° | 180.0° |
| C13 | C14 | C9 | C10 | 1.8° | 0.3° |
| C14 | C13 | C12 | C11 | 2.5° | 0.0° |
| C14 | C13 | C12 | H74 | 177.5° | 180.0° |
| C9 | C14 | C13 | C12 | 0.6° | 0.3° |
| C14 | C9 | C10 | C11 | 2.2° | 0.0° |
| C14 | C9 | C10 | H10 | 177.8° | 180.0° |
| C9 | C14 | C13 | H75 | 179.4° | 179.7° |
| C15 | N5 | C6 | C7 | 20.1° | 24.1° |
| C15 | N5 | C4 | C17 | 0.0° | 0.0° |
| C15 | N5 | C6 | C4 | 177.0° | 180.0° |
| C15 | N5 | C4 | C3 | 173.4° | 179.9° |
| C15 | N5 | C6 | H62 | 138.9° | 94.7° |
| C15 | N5 | C6 | H61 | 98.7° | 143.1° |
| N5 | C15 | H76 | H15 | 118.9° | 121.1° |
| C13 | C12 | C11 | H74 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 2.2° | 0.4° |
| C13 | C12 | C11 | H73 | 177.8° | 180.0° |
| C12 | C13 | C14 | H14 | 179.4° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.4° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | H73 | 179.8° | 180.0° |
| C10 | C9 | C14 | H14 | 178.2° | 180.0° |
| C7 | C6 | N5 | H62 | 118.8° | 118.9° |
| C7 | C6 | N5 | H61 | 118.8° | 118.9° |
| C7 | C6 | N5 | C4 | 162.9° | 155.9° |
| C7 | C6 | H62 | H61 | 123.4° | 122.2° |
| C6 | C7 | H72 | H71 | 125.0° | 124.0° |
| O39 | C18 | C17 | N19 | 176.4° | 179.9° |
| O39 | C18 | C17 | C4 | 176.4° | 179.7° |
| O39 | C18 | N19 | C20 | 1.6° | 0.0° |
| O39 | C18 | N19 | C2 | 178.3° | 180.0° |
| O39 | C18 | C17 | H17 | 3.6° | 0.1° |
| C18 | C17 | C4 | H17 | 180.0° | 179.6° |
| C18 | C17 | C4 | N5 | 175.8° | 179.7° |
| C18 | C17 | C4 | C3 | 2.2° | 0.4° |
| C17 | C18 | N19 | C20 | 177.9° | 180.0° |
| C17 | C18 | N19 | C2 | 2.0° | 0.1° |
| C17 | C4 | N5 | C6 | 175.8° | 180.0° |
| C17 | C4 | N5 | C3 | 173.4° | 179.9° |
| C4 | C17 | C18 | N19 | 0.0° | 0.4° |
| C17 | C4 | C3 | C2 | 2.5° | 0.1° |
| C17 | C4 | C3 | H3 | 177.6° | 180.0° |
| C6 | N5 | C4 | C3 | 10.8° | 0.1° |
| N5 | C6 | H62 | H61 | 123.4° | 122.2° |
| N5 | C6 | C7 | H72 | 60.1° | 81.0° |
| N5 | C6 | C7 | H71 | 176.4° | 155.1° |
| C6 | N5 | C15 | H76 | 141.9° | 120.5° |
| C6 | N5 | C15 | H15 | 98.8° | 118.3° |
| N5 | C4 | C3 | C2 | 175.9° | 180.0° |
| N5 | C4 | C3 | H3 | 4.1° | 0.1° |
| C4 | N5 | C6 | H62 | 44.1° | 85.2° |
| C4 | N5 | C6 | H61 | 78.3° | 37.0° |
| C4 | N5 | C15 | H76 | 34.7° | 59.6° |
| C4 | N5 | C15 | H15 | 84.6° | 61.6° |
| N5 | C4 | C17 | H17 | 4.2° | 0.1° |
| C12 | C11 | C10 | H73 | 180.0° | 179.6° |
| C12 | C11 | C10 | H10 | 179.8° | 179.7° |
| C11 | C12 | C13 | H75 | 177.5° | 180.0° |
| C10 | C11 | C12 | H74 | 177.8° | 179.7° |
| C18 | N19 | C20 | C2 | 179.8° | 180.0° |
| C18 | N19 | C2 | C3 | 1.6° | 0.2° |
| C18 | N19 | C20 | C21 | 81.6° | 90.0° |
| C18 | N19 | C2 | C1 | 179.8° | 180.0° |
| C18 | N19 | C20 | H20 | 157.1° | 30.0° |
| C18 | N19 | C20 | H79 | 39.7° | 150.0° |
| N19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C4 | C3 | C2 | N19 | 0.6° | 0.2° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 178.0° | 179.9° |
| C3 | C4 | C17 | H17 | 177.8° | 180.0° |
| C20 | N19 | C2 | C3 | 178.2° | 179.7° |
| N19 | C20 | C21 | H20 | 121.3° | 120.0° |
| N19 | C20 | C21 | H79 | 121.3° | 120.0° |
| N19 | C20 | C21 | N22 | 68.8° | 180.0° |
| C20 | N19 | C2 | C1 | 0.4° | 0.0° |
| N19 | C20 | H20 | H79 | 116.0° | 119.9° |
| N19 | C20 | C21 | H21 | 169.2° | 60.0° |
| N19 | C20 | C21 | H8A | 53.1° | 59.9° |
| N19 | C2 | C3 | C1 | 178.6° | 179.7° |
| C2 | N19 | C20 | C21 | 98.6° | 90.0° |
| N19 | C2 | C1 | H12 | 180.0° | 179.7° |
| N19 | C2 | C1 | H13 | 60.0° | 60.3° |
| N19 | C2 | C1 | H11 | 60.0° | 59.7° |
| N19 | C2 | C3 | H3 | 179.4° | 179.7° |
| C2 | N19 | C20 | H20 | 22.7° | 150.0° |
| C2 | N19 | C20 | H79 | 140.2° | 30.1° |
| C3 | C2 | C1 | H12 | 1.4° | 0.0° |
| C3 | C2 | C1 | H13 | 118.6° | 119.9° |
| C3 | C2 | C1 | H11 | 121.4° | 120.0° |
| C20 | C21 | N22 | H21 | 122.0° | 120.1° |
| C20 | C21 | N22 | H8A | 121.9° | 120.0° |
| C20 | C21 | N22 | C23 | 43.0° | 180.0° |
| C21 | C20 | H20 | H79 | 116.0° | 120.1° |
| C20 | C21 | H21 | H8A | 113.6° | 119.9° |
| C20 | C21 | N22 | H22 | 137.0° | 0.1° |
| C21 | N22 | C23 | H22 | 180.0° | 180.0° |
| C21 | N22 | C23 | O38 | 10.0° | 0.0° |
| C21 | N22 | C23 | N24 | 179.8° | 180.0° |
| N22 | C21 | C20 | H20 | 52.4° | 60.0° |
| N22 | C21 | C20 | H79 | 169.9° | 60.0° |
| N22 | C21 | H21 | H8A | 113.5° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 119.9° |
| C2 | C1 | H12 | H11 | 120.0° | 120.1° |
| C2 | C1 | H13 | H11 | 120.0° | 120.1° |
| C1 | C2 | C3 | H3 | 2.0° | 0.0° |
| N22 | C23 | O38 | N24 | 171.1° | 179.9° |
| N22 | C23 | N24 | C25 | 179.7° | 180.0° |
| C23 | N22 | C21 | H21 | 78.9° | 60.0° |
| C23 | N22 | C21 | H8A | 165.0° | 60.0° |
| N22 | C23 | N24 | H24 | 0.3° | 0.1° |
| O38 | C23 | N24 | C25 | 10.3° | 0.1° |
| O38 | C23 | N22 | H22 | 170.1° | 180.0° |
| O38 | C23 | N24 | H24 | 169.7° | 180.0° |
| C23 | N24 | C25 | H24 | 180.0° | 179.9° |
| C23 | N24 | C25 | C28 | 104.2° | 155.0° |
| C23 | N24 | C25 | C26 | 175.2° | 108.3° |
| C23 | N24 | C25 | H25 | 32.3° | 23.2° |
| N24 | C23 | N22 | H22 | 0.2° | 0.0° |
| N24 | C25 | C28 | C26 | 110.1° | 114.3° |
| N24 | C25 | C28 | H25 | 137.8° | 131.4° |
| N24 | C25 | C26 | H25 | 143.5° | 131.3° |
| N24 | C25 | C28 | N27 | 61.6° | 138.0° |
| N24 | C25 | C26 | N27 | 61.7° | 138.0° |
| N24 | C25 | C26 | H8B | 53.9° | 23.7° |
| N24 | C25 | C26 | H26 | 177.3° | 107.6° |
| N24 | C25 | C28 | H28 | 177.5° | 107.8° |
| N24 | C25 | C28 | H8C | 54.3° | 23.5° |
| C28 | C25 | C26 | H25 | 110.5° | 114.4° |
| C25 | C28 | N27 | C29 | 159.9° | 155.4° |
| C25 | C28 | N27 | H28 | 115.9° | 114.2° |
| C25 | C28 | N27 | H8C | 115.9° | 114.3° |
| C28 | C25 | C26 | N27 | 44.3° | 23.6° |
| C28 | C25 | C26 | H8B | 159.9° | 90.7° |
| C28 | C25 | C26 | H26 | 71.2° | 138.0° |
| C25 | C28 | H28 | H8C | 130.8° | 131.7° |
| C28 | C25 | N24 | H24 | 75.8° | 24.9° |
| C25 | C26 | N27 | C29 | 161.2° | 155.4° |
| C25 | C26 | N27 | H8B | 115.6° | 114.3° |
| C25 | C26 | N27 | H26 | 115.6° | 114.3° |
| C25 | C26 | H8B | H26 | 131.6° | 131.7° |
| C26 | C25 | C28 | H28 | 67.4° | 137.9° |
| C26 | C25 | C28 | H8C | 164.5° | 90.8° |
| C26 | C25 | N24 | H24 | 4.8° | 71.8° |
| C29 | N27 | C28 | C26 | 155.2° | 179.9° |
| N27 | C29 | N30 | C37 | 164.9° | 179.7° |
| N27 | C29 | N30 | C31 | 174.1° | 179.7° |
| N27 | C29 | C37 | C36 | 13.6° | 0.3° |
| N27 | C29 | C37 | N33 | 173.6° | 179.7° |
| C29 | N27 | C26 | H8B | 45.6° | 90.3° |
| C29 | N27 | C26 | H26 | 83.2° | 41.1° |
| C29 | N27 | C28 | H28 | 84.2° | 41.1° |
| C29 | N27 | C28 | H8C | 44.0° | 90.3° |
| C28 | N27 | C29 | N30 | 163.5° | 0.1° |
| C28 | N27 | C29 | C37 | 0.1° | 179.7° |
| N27 | C28 | C25 | H25 | 160.7° | 90.7° |
| C28 | N27 | C26 | H8B | 163.3° | 89.6° |
| C28 | N27 | C26 | H26 | 67.9° | 139.0° |
| N27 | C28 | H28 | H8C | 130.8° | 131.9° |
| C26 | N27 | C29 | N30 | 26.2° | 180.0° |
| C26 | N27 | C29 | C37 | 137.4° | 0.2° |
| N27 | C26 | C25 | H25 | 154.8° | 90.7° |
| N27 | C26 | H8B | H26 | 131.6° | 131.9° |
| C26 | N27 | C28 | H28 | 71.0° | 138.9° |
| C26 | N27 | C28 | H8C | 160.8° | 89.7° |
| C29 | N30 | C31 | C32 | 5.1° | 0.0° |
| N30 | C29 | C37 | C36 | 178.1° | 180.0° |
| N30 | C29 | C37 | N33 | 9.2° | 0.0° |
| C29 | N30 | C31 | H31 | 174.9° | 180.0° |
| C37 | C29 | N30 | C31 | 9.2° | 0.0° |
| C29 | C37 | C36 | N33 | 173.6° | 180.0° |
| C29 | C37 | C36 | N35 | 173.7° | 180.0° |
| C29 | C37 | N33 | C32 | 5.6° | 0.1° |
| C29 | C37 | N33 | C34 | 174.8° | 180.0° |
| C29 | C37 | C36 | H36 | 6.3° | 0.0° |
| N30 | C31 | C32 | H31 | 180.0° | 180.0° |
| N30 | C31 | C32 | N33 | 0.5° | 0.0° |
| N30 | C31 | C32 | H32 | 179.5° | 180.0° |
| C31 | C32 | N33 | C37 | 0.9° | 0.1° |
| C31 | C32 | N33 | H32 | 180.0° | 180.0° |
| C31 | C32 | N33 | C34 | 179.6° | 180.0° |
| C37 | C36 | N35 | H36 | 180.0° | 180.0° |
| C36 | C37 | N33 | C32 | 179.9° | 180.0° |
| C36 | C37 | N33 | C34 | 0.3° | 0.0° |
| C37 | C36 | N35 | C34 | 0.2° | 0.0° |
| N33 | C37 | C36 | N35 | 0.1° | 0.0° |
| C37 | N33 | C32 | C34 | 179.5° | 179.9° |
| C37 | N33 | C34 | N35 | 0.5° | 0.0° |
| C37 | N33 | C32 | H32 | 179.1° | 180.0° |
| C37 | N33 | C34 | H34 | 179.6° | 179.9° |
| N33 | C37 | C36 | H36 | 179.9° | 180.0° |
| C36 | N35 | C34 | N33 | 0.4° | 0.0° |
| C36 | N35 | C34 | H34 | 179.6° | 179.9° |
| C32 | N33 | C34 | N35 | 180.0° | 180.0° |
| N33 | C32 | C31 | H31 | 179.5° | 180.0° |
| C32 | N33 | C34 | H34 | 0.0° | 0.0° |
| N33 | C34 | N35 | H34 | 180.0° | 180.0° |
| C34 | N33 | C32 | H32 | 0.4° | 0.0° |
| C34 | N35 | C36 | H36 | 179.8° | 180.0° |
| H12 | C1 | H13 | H11 | 120.0° | 120.0° |
| H25 | C25 | C26 | H8B | 89.6° | 155.0° |
| H25 | C25 | C26 | H26 | 39.2° | 23.7° |
| H25 | C25 | C28 | H28 | 44.7° | 23.6° |
| H25 | C25 | C28 | H8C | 83.4° | 154.9° |
| H25 | C25 | N24 | H24 | 147.7° | 156.6° |
| H62 | C6 | C7 | H72 | 58.7° | 160.1° |
| H62 | C6 | C7 | H71 | 64.8° | 36.3° |
| H61 | C6 | C7 | H72 | 178.9° | 38.0° |
| H61 | C6 | C7 | H71 | 57.6° | 85.9° |
| H73 | C11 | C10 | H10 | 0.2° | 0.0° |
| H73 | C11 | C12 | H74 | 2.2° | 0.0° |
| H74 | C12 | C13 | H75 | 2.5° | 0.0° |
| H78 | C16 | H16 | H77 | 120.0° | 119.9° |
| H20 | C20 | C21 | H21 | 69.5° | 60.0° |
| H20 | C20 | C21 | H8A | 174.4° | 179.9° |
| H79 | C20 | C21 | H21 | 47.9° | 180.0° |
| H79 | C20 | C21 | H8A | 68.2° | 60.1° |
| H21 | C21 | N22 | H22 | 101.1° | 120.0° |
| H8A | C21 | N22 | H22 | 15.0° | 120.1° |
| H75 | C13 | C14 | H14 | 0.6° | 0.0° |
| H31 | C31 | C32 | H32 | 0.5° | 0.0° |
