A1L58
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | N38 | sing | 1.32Å | 1.36Å | Aromatic |
| C36 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| N38 | C01 | doub | 1.32Å | 1.34Å | Aromatic |
| C03 | N04 | sing | 1.39Å | 1.43Å | |
| C03 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| N04 | C05 | sing | 1.40Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C35 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C33 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.59Å | |
| C07 | C08 | sing | 1.48Å | 1.51Å | |
| O17 | C16 | doub | 1.21Å | 1.22Å | |
| N10 | C08 | sing | 1.35Å | 1.42Å | |
| N10 | C11 | sing | 1.46Å | 1.49Å | |
| C08 | O09 | doub | 1.22Å | 1.23Å | |
| C11 | C16 | sing | 1.51Å | 1.61Å | |
| C16 | N18 | sing | 1.35Å | 1.42Å | |
| C32 | N31 | doub | 1.32Å | 1.34Å | Aromatic |
| C32 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| N31 | C22 | sing | 1.32Å | 1.38Å | Aromatic |
| N18 | C19 | sing | 1.40Å | 1.43Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | O23 | sing | 1.36Å | 1.40Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| O23 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C30 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C29 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | N27 | sing | 1.47Å | 1.48Å | |
| N27 | C28 | sing | 1.47Å | 1.49Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.08Å | 1.08Å | |
| C34 | H12 | sing | 1.08Å | 1.08Å | |
| C01 | H13 | sing | 1.08Å | 1.08Å | |
| C02 | H14 | sing | 1.08Å | 1.08Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| N04 | H32 | sing | 0.97Å | 1.00Å | |
| N10 | H33 | sing | 0.97Å | 1.00Å | |
| N18 | H34 | sing | 0.97Å | 1.00Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C37 | N38 | 123.7° | 120.9° |
| C37 | C36 | C03 | 119.7° | 119.1° |
| C37 | C36 | H30 | 120.2° | 120.5° |
| C36 | C37 | H31 | 118.2° | 119.6° |
| C37 | N38 | C01 | 116.7° | 121.9° |
| N38 | C37 | H31 | 118.2° | 119.5° |
| C36 | C03 | N04 | 117.9° | 120.9° |
| C36 | C03 | C02 | 116.2° | 118.3° |
| C03 | C36 | H30 | 120.2° | 120.5° |
| N38 | C01 | C02 | 123.6° | 120.8° |
| N38 | C01 | H13 | 118.2° | 119.6° |
| N04 | C03 | C02 | 125.9° | 120.8° |
| C03 | N04 | C05 | 129.9° | 120.0° |
| C03 | N04 | H32 | 115.1° | 120.0° |
| C03 | C02 | C01 | 120.0° | 119.1° |
| C03 | C02 | H14 | 120.0° | 120.5° |
| C02 | C01 | H13 | 118.2° | 119.6° |
| C01 | C02 | H14 | 119.9° | 120.4° |
| N04 | C05 | C35 | 119.1° | 120.0° |
| N04 | C05 | C06 | 123.1° | 120.0° |
| C05 | N04 | H32 | 115.1° | 120.0° |
| C15 | C14 | C13 | 113.2° | 109.5° |
| C15 | C14 | H6 | 108.5° | 109.5° |
| C15 | C14 | H7 | 108.5° | 109.4° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.4° | 109.5° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C05 | C35 | C34 | 119.9° | 120.2° |
| C35 | C05 | C06 | 117.8° | 120.0° |
| C05 | C35 | H29 | 120.1° | 119.9° |
| C35 | C34 | C33 | 121.5° | 120.2° |
| C35 | C34 | H12 | 119.3° | 119.9° |
| C34 | C35 | H29 | 120.0° | 119.9° |
| C05 | C06 | C07 | 122.8° | 119.8° |
| C05 | C06 | H15 | 118.6° | 120.1° |
| C14 | C13 | C12 | 114.5° | 109.5° |
| C14 | C13 | H4 | 108.2° | 109.5° |
| C14 | C13 | H5 | 108.2° | 109.5° |
| C13 | C14 | H6 | 108.5° | 109.5° |
| C13 | C14 | H7 | 108.5° | 109.5° |
| C34 | C33 | C07 | 120.9° | 120.0° |
| C34 | C33 | H11 | 119.6° | 120.0° |
| C33 | C34 | H12 | 119.2° | 119.9° |
| C06 | C07 | C33 | 117.0° | 119.8° |
| C06 | C07 | C08 | 122.3° | 120.1° |
| C07 | C06 | H15 | 118.6° | 120.1° |
| C13 | C12 | C11 | 114.1° | 109.5° |
| C13 | C12 | H2 | 108.3° | 109.5° |
| C13 | C12 | H3 | 108.3° | 109.5° |
| C12 | C13 | H4 | 108.2° | 109.5° |
| C12 | C13 | H5 | 108.2° | 109.5° |
| C33 | C07 | C08 | 120.6° | 120.1° |
| C07 | C33 | H11 | 119.6° | 120.0° |
| C12 | C11 | N10 | 110.3° | 109.5° |
| C12 | C11 | C16 | 106.7° | 109.5° |
| C12 | C11 | H1 | 108.0° | 109.5° |
| C11 | C12 | H2 | 108.3° | 109.5° |
| C11 | C12 | H3 | 108.3° | 109.5° |
| C07 | C08 | N10 | 123.1° | 120.0° |
| C07 | C08 | O09 | 119.0° | 120.0° |
| O17 | C16 | C11 | 118.3° | 120.0° |
| O17 | C16 | N18 | 120.9° | 120.0° |
| C08 | N10 | C11 | 126.7° | 120.0° |
| N10 | C08 | O09 | 117.9° | 120.0° |
| C08 | N10 | H33 | 116.7° | 120.0° |
| N10 | C11 | C16 | 114.7° | 109.4° |
| N10 | C11 | H1 | 109.3° | 109.5° |
| C11 | N10 | H33 | 116.7° | 120.0° |
| C11 | C16 | N18 | 120.7° | 120.0° |
| C16 | C11 | H1 | 107.7° | 109.5° |
| C16 | N18 | C19 | 133.3° | 120.0° |
| C16 | N18 | H34 | 113.3° | 120.0° |
| N31 | C32 | C19 | 125.6° | 120.7° |
| C32 | N31 | C22 | 118.4° | 121.8° |
| N31 | C32 | H28 | 117.2° | 119.6° |
| C32 | C19 | N18 | 124.3° | 120.4° |
| C32 | C19 | C20 | 113.7° | 119.2° |
| C19 | C32 | H28 | 117.2° | 119.7° |
| N31 | C22 | O23 | 119.5° | 119.6° |
| N31 | C22 | C21 | 120.6° | 120.7° |
| N18 | C19 | C20 | 122.0° | 120.4° |
| C19 | N18 | H34 | 113.4° | 120.0° |
| C19 | C20 | C21 | 122.2° | 118.4° |
| C19 | C20 | H19 | 118.9° | 120.8° |
| O23 | C22 | C21 | 119.9° | 119.6° |
| C22 | O23 | C24 | 119.1° | 117.0° |
| C22 | C21 | C20 | 119.5° | 119.2° |
| C22 | C21 | H8 | 120.3° | 120.4° |
| O23 | C24 | C30 | 112.0° | 109.5° |
| O23 | C24 | C25 | 110.8° | 109.5° |
| O23 | C24 | H20 | 109.2° | 109.6° |
| C30 | C24 | C25 | 108.7° | 109.1° |
| C24 | C30 | C29 | 119.3° | 109.3° |
| C24 | C30 | H10 | 107.0° | 109.5° |
| C30 | C24 | H20 | 107.8° | 109.5° |
| C24 | C30 | H36 | 107.0° | 109.5° |
| C24 | C25 | C26 | 113.7° | 109.3° |
| C25 | C24 | H20 | 108.3° | 109.5° |
| C24 | C25 | H21 | 108.4° | 109.5° |
| C24 | C25 | H22 | 108.4° | 109.5° |
| C30 | C29 | N27 | 119.8° | 109.5° |
| C30 | C29 | H9 | 106.9° | 109.5° |
| C29 | C30 | H10 | 107.0° | 109.5° |
| C30 | C29 | H35 | 106.9° | 109.4° |
| C29 | C30 | H36 | 107.0° | 109.5° |
| C20 | C21 | H8 | 120.3° | 120.4° |
| C21 | C20 | H19 | 118.9° | 120.8° |
| C25 | C26 | N27 | 114.5° | 109.5° |
| C26 | C25 | H21 | 108.4° | 109.5° |
| C26 | C25 | H22 | 108.4° | 109.5° |
| C25 | C26 | H23 | 108.2° | 109.5° |
| C25 | C26 | H24 | 108.2° | 109.5° |
| C29 | N27 | C26 | 114.8° | 111.2° |
| C29 | N27 | C28 | 112.1° | 111.0° |
| N27 | C29 | H9 | 106.8° | 109.5° |
| N27 | C29 | H35 | 106.8° | 109.5° |
| C26 | N27 | C28 | 110.4° | 111.0° |
| N27 | C26 | H23 | 108.2° | 109.5° |
| N27 | C26 | H24 | 108.2° | 109.4° |
| N27 | C28 | H25 | 109.5° | 109.5° |
| N27 | C28 | H26 | 109.5° | 109.5° |
| N27 | C28 | H27 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.4° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H9 | C29 | H35 | 109.4° | 109.5° |
| H10 | C30 | H36 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.4° | 109.5° |
| H16 | C15 | H18 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.6° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H25 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C37 | N38 | H31 | 180.0° | 179.9° |
| C37 | C36 | C03 | H30 | 180.0° | 180.0° |
| C36 | C37 | N38 | C01 | 0.0° | 0.4° |
| C37 | C36 | C03 | N04 | 179.8° | 180.0° |
| C37 | C36 | C03 | C02 | 0.4° | 0.0° |
| N38 | C37 | C36 | C03 | 0.2° | 0.2° |
| C37 | N38 | C01 | C02 | 0.1° | 0.4° |
| C37 | N38 | C01 | H13 | 179.9° | 179.7° |
| N38 | C37 | C36 | H30 | 179.9° | 179.8° |
| C36 | C03 | N04 | C02 | 179.3° | 180.0° |
| C36 | C03 | C02 | C01 | 0.5° | 0.0° |
| C36 | C03 | N04 | C05 | 171.8° | 155.0° |
| C36 | C03 | C02 | H14 | 179.5° | 180.0° |
| C03 | C36 | C37 | H31 | 179.8° | 179.9° |
| C36 | C03 | N04 | H32 | 8.3° | 25.0° |
| N38 | C01 | C02 | C03 | 0.4° | 0.2° |
| N38 | C01 | C02 | H13 | 180.0° | 179.8° |
| N38 | C01 | C02 | H14 | 179.6° | 179.8° |
| C01 | N38 | C37 | H31 | 180.0° | 179.7° |
| N04 | C03 | C02 | C01 | 179.8° | 179.9° |
| C03 | N04 | C05 | H32 | 180.0° | 180.0° |
| C03 | N04 | C05 | C35 | 28.5° | 35.1° |
| C03 | N04 | C05 | C06 | 151.7° | 145.4° |
| N04 | C03 | C02 | H14 | 0.2° | 0.0° |
| N04 | C03 | C36 | H30 | 0.3° | 0.0° |
| C03 | C02 | C01 | H14 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 8.9° | 25.0° |
| C03 | C02 | C01 | H13 | 179.6° | 180.0° |
| C02 | C03 | C36 | H30 | 179.6° | 180.0° |
| C02 | C03 | N04 | H32 | 171.0° | 155.0° |
| N04 | C05 | C35 | C06 | 179.8° | 179.5° |
| N04 | C05 | C35 | C34 | 179.9° | 179.8° |
| N04 | C05 | C06 | C07 | 179.5° | 180.0° |
| N04 | C05 | C06 | H15 | 0.5° | 0.5° |
| N04 | C05 | C35 | H29 | 0.1° | 0.5° |
| C15 | C14 | C13 | H6 | 120.5° | 120.0° |
| C15 | C14 | C13 | H7 | 120.6° | 119.9° |
| C15 | C14 | C13 | C12 | 176.7° | 180.0° |
| C15 | C14 | C13 | H4 | 55.9° | 60.0° |
| C15 | C14 | C13 | H5 | 62.6° | 60.0° |
| C15 | C14 | H6 | H7 | 118.3° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H18 | 120.0° | 120.0° |
| C05 | C35 | C34 | H29 | 180.0° | 179.7° |
| C05 | C35 | C34 | C33 | 0.3° | 0.0° |
| C35 | C05 | C06 | C07 | 0.7° | 0.5° |
| C05 | C35 | C34 | H12 | 179.7° | 180.0° |
| C35 | C05 | C06 | H15 | 179.3° | 180.0° |
| C35 | C05 | N04 | H32 | 151.5° | 144.9° |
| C34 | C35 | C05 | C06 | 0.3° | 0.3° |
| C35 | C34 | C33 | H12 | 180.0° | 180.0° |
| C35 | C34 | C33 | C07 | 0.6° | 0.0° |
| C35 | C34 | C33 | H11 | 179.4° | 179.8° |
| C05 | C06 | C07 | H15 | 180.0° | 179.5° |
| C05 | C06 | C07 | C33 | 1.1° | 0.4° |
| C05 | C06 | C07 | C08 | 179.2° | 179.5° |
| C06 | C05 | C35 | H29 | 179.7° | 179.9° |
| C06 | C05 | N04 | H32 | 28.3° | 34.6° |
| C14 | C13 | C12 | H4 | 120.7° | 120.0° |
| C14 | C13 | C12 | H5 | 120.8° | 120.0° |
| C14 | C13 | C12 | C11 | 178.6° | 180.0° |
| C14 | C13 | C12 | H2 | 60.7° | 60.0° |
| C14 | C13 | C12 | H3 | 57.9° | 60.0° |
| C14 | C13 | H4 | H5 | 117.7° | 120.0° |
| C13 | C14 | H6 | H7 | 118.3° | 120.0° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | H17 | 60.0° | 60.0° |
| C13 | C14 | C15 | H18 | 60.0° | 60.1° |
| C34 | C33 | C07 | C06 | 1.0° | 0.2° |
| C34 | C33 | C07 | H11 | 180.0° | 179.8° |
| C34 | C33 | C07 | C08 | 179.2° | 179.7° |
| C33 | C34 | C35 | H29 | 179.7° | 179.7° |
| C06 | C07 | C33 | C08 | 178.2° | 179.9° |
| C06 | C07 | C08 | N10 | 82.1° | 180.0° |
| C06 | C07 | C08 | O09 | 98.0° | 0.0° |
| C06 | C07 | C33 | H11 | 179.0° | 180.0° |
| C13 | C12 | C11 | H2 | 120.7° | 120.0° |
| C13 | C12 | C11 | H3 | 120.7° | 120.1° |
| C13 | C12 | C11 | N10 | 38.3° | 65.0° |
| C13 | C12 | C11 | C16 | 163.4° | 175.0° |
| C13 | C12 | C11 | H1 | 81.0° | 55.0° |
| C13 | C12 | H2 | H3 | 117.9° | 120.0° |
| C12 | C13 | H4 | H5 | 117.7° | 119.9° |
| C12 | C13 | C14 | H6 | 62.8° | 60.0° |
| C12 | C13 | C14 | H7 | 56.1° | 60.0° |
| C33 | C07 | C08 | N10 | 96.0° | 0.0° |
| C33 | C07 | C08 | O09 | 83.9° | 180.0° |
| C07 | C33 | C34 | H12 | 179.4° | 180.0° |
| C33 | C07 | C06 | H15 | 179.0° | 180.0° |
| C12 | C11 | C16 | O17 | 96.1° | 120.0° |
| C12 | C11 | N10 | C08 | 149.5° | 85.0° |
| C12 | C11 | N10 | C16 | 120.4° | 120.0° |
| C12 | C11 | N10 | H1 | 118.5° | 120.0° |
| C12 | C11 | C16 | H1 | 115.7° | 120.0° |
| C12 | C11 | C16 | N18 | 82.0° | 60.0° |
| C11 | C12 | H2 | H3 | 117.9° | 120.0° |
| C11 | C12 | C13 | H4 | 57.9° | 60.0° |
| C11 | C12 | C13 | H5 | 60.6° | 59.9° |
| C12 | C11 | N10 | H33 | 30.5° | 95.0° |
| C07 | C08 | N10 | O09 | 179.9° | 180.0° |
| C07 | C08 | N10 | C11 | 179.1° | 180.0° |
| C08 | C07 | C33 | H11 | 0.9° | 0.0° |
| C08 | C07 | C06 | H15 | 0.8° | 0.0° |
| C07 | C08 | N10 | H33 | 1.0° | 0.0° |
| O17 | C16 | C11 | N10 | 26.3° | 0.0° |
| O17 | C16 | C11 | N18 | 178.1° | 180.0° |
| O17 | C16 | N18 | C19 | 0.6° | 5.8° |
| O17 | C16 | C11 | H1 | 148.2° | 120.0° |
| O17 | C16 | N18 | H34 | 179.4° | 174.2° |
| C08 | N10 | C11 | H33 | 180.0° | 180.0° |
| C08 | N10 | C11 | C16 | 90.1° | 155.0° |
| C08 | N10 | C11 | H1 | 31.0° | 35.0° |
| C11 | N10 | C08 | O09 | 0.8° | 0.0° |
| N10 | C11 | C16 | H1 | 121.9° | 120.0° |
| N10 | C11 | C16 | N18 | 155.6° | 180.0° |
| N10 | C11 | C12 | H2 | 159.0° | 55.0° |
| N10 | C11 | C12 | H3 | 82.4° | 174.9° |
| O09 | C08 | N10 | H33 | 179.1° | 180.0° |
| C11 | C16 | N18 | C19 | 178.6° | 174.2° |
| C16 | C11 | C12 | H2 | 75.9° | 65.0° |
| C16 | C11 | C12 | H3 | 42.7° | 54.9° |
| C16 | C11 | N10 | H33 | 89.9° | 25.0° |
| C11 | C16 | N18 | H34 | 1.4° | 5.7° |
| C16 | N18 | C19 | C32 | 15.6° | 154.2° |
| C16 | N18 | C19 | H34 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 166.0° | 25.8° |
| N18 | C16 | C11 | H1 | 33.7° | 60.0° |
| N31 | C32 | C19 | H28 | 180.0° | 179.7° |
| N31 | C32 | C19 | N18 | 178.9° | 179.7° |
| N31 | C32 | C19 | C20 | 0.4° | 0.3° |
| C32 | N31 | C22 | O23 | 179.8° | 179.9° |
| C32 | N31 | C22 | C21 | 1.3° | 0.0° |
| C19 | C32 | N31 | C22 | 0.6° | 0.3° |
| C32 | C19 | N18 | C20 | 178.4° | 180.0° |
| C32 | C19 | C20 | C21 | 0.8° | 0.1° |
| C32 | C19 | C20 | H19 | 179.2° | 179.9° |
| C32 | C19 | N18 | H34 | 164.3° | 25.9° |
| N31 | C22 | O23 | C21 | 178.5° | 179.9° |
| N31 | C22 | O23 | C24 | 70.0° | 0.0° |
| N31 | C22 | C21 | C20 | 0.9° | 0.3° |
| N31 | C22 | C21 | H8 | 179.1° | 179.9° |
| C22 | N31 | C32 | H28 | 179.4° | 180.0° |
| N18 | C19 | C20 | C21 | 179.3° | 180.0° |
| N18 | C19 | C20 | H19 | 0.7° | 0.1° |
| N18 | C19 | C32 | H28 | 1.1° | 0.1° |
| C19 | C20 | C21 | C22 | 0.2° | 0.2° |
| C19 | C20 | C21 | H19 | 180.0° | 179.9° |
| C19 | C20 | C21 | H8 | 179.8° | 180.0° |
| C20 | C19 | C32 | H28 | 179.6° | 180.0° |
| C20 | C19 | N18 | H34 | 14.0° | 154.2° |
| C22 | O23 | C24 | C30 | 11.7° | 150.0° |
| C22 | O23 | C24 | C25 | 133.2° | 90.3° |
| O23 | C22 | C21 | C20 | 179.4° | 179.8° |
| O23 | C22 | C21 | H8 | 0.6° | 0.0° |
| C22 | O23 | C24 | H20 | 107.6° | 29.8° |
| C21 | C22 | O23 | C24 | 111.5° | 180.0° |
| C22 | C21 | C20 | H8 | 180.0° | 179.8° |
| C22 | C21 | C20 | H19 | 179.8° | 179.6° |
| O23 | C24 | C30 | C25 | 122.7° | 119.9° |
| O23 | C24 | C30 | H20 | 120.1° | 120.2° |
| O23 | C24 | C25 | H20 | 119.7° | 120.2° |
| O23 | C24 | C30 | C29 | 91.6° | 62.2° |
| O23 | C24 | C25 | C26 | 69.7° | 62.2° |
| O23 | C24 | C30 | H10 | 147.0° | 57.7° |
| O23 | C24 | C25 | H21 | 50.9° | 57.7° |
| O23 | C24 | C25 | H22 | 169.7° | 177.8° |
| O23 | C24 | C30 | H36 | 29.8° | 177.8° |
| C30 | C24 | C25 | H20 | 116.8° | 119.9° |
| C24 | C30 | C29 | H10 | 121.4° | 120.0° |
| C24 | C30 | C29 | H36 | 121.4° | 120.0° |
| C30 | C24 | C25 | C26 | 53.7° | 57.7° |
| C24 | C30 | C29 | N27 | 14.3° | 59.2° |
| C24 | C30 | C29 | H9 | 135.7° | 179.2° |
| C24 | C30 | H10 | H36 | 115.6° | 120.1° |
| C30 | C24 | C25 | H21 | 174.4° | 177.6° |
| C30 | C24 | C25 | H22 | 66.9° | 62.3° |
| C24 | C30 | C29 | H35 | 107.2° | 60.8° |
| C25 | C24 | C30 | C29 | 31.1° | 57.7° |
| C24 | C25 | C26 | H21 | 120.6° | 119.9° |
| C24 | C25 | C26 | H22 | 120.6° | 120.0° |
| C24 | C25 | C26 | N27 | 61.3° | 59.2° |
| C25 | C24 | C30 | H10 | 90.3° | 177.6° |
| C24 | C25 | H21 | H22 | 118.1° | 120.1° |
| C24 | C25 | C26 | H23 | 59.4° | 60.8° |
| C24 | C25 | C26 | H24 | 178.0° | 179.2° |
| C25 | C24 | C30 | H36 | 152.5° | 62.3° |
| C30 | C29 | N27 | H9 | 121.5° | 120.0° |
| C30 | C29 | N27 | H35 | 121.5° | 120.0° |
| C30 | C29 | N27 | C26 | 17.5° | 61.7° |
| C30 | C29 | N27 | C28 | 144.5° | 174.2° |
| C30 | C29 | H9 | H35 | 115.4° | 119.9° |
| C29 | C30 | H10 | H36 | 115.5° | 120.0° |
| C29 | C30 | C24 | H20 | 148.3° | 177.5° |
| C25 | C26 | N27 | C29 | 39.9° | 61.7° |
| C25 | C26 | N27 | H23 | 120.7° | 120.0° |
| C25 | C26 | N27 | H24 | 120.7° | 120.0° |
| C25 | C26 | N27 | C28 | 167.8° | 174.1° |
| C26 | C25 | C24 | H20 | 170.5° | 177.6° |
| C26 | C25 | H21 | H22 | 118.1° | 120.1° |
| C25 | C26 | H23 | H24 | 117.7° | 120.0° |
| C29 | N27 | C26 | C28 | 127.9° | 124.1° |
| N27 | C29 | H9 | H35 | 115.3° | 120.0° |
| N27 | C29 | C30 | H10 | 107.1° | 179.2° |
| C29 | N27 | C26 | H23 | 80.9° | 58.3° |
| C29 | N27 | C26 | H24 | 160.6° | 178.2° |
| C29 | N27 | C28 | H25 | 180.0° | 60.0° |
| C29 | N27 | C28 | H26 | 60.0° | 180.0° |
| C29 | N27 | C28 | H27 | 60.0° | 60.0° |
| N27 | C29 | C30 | H36 | 135.7° | 60.8° |
| C26 | N27 | C29 | H9 | 138.9° | 178.3° |
| N27 | C26 | C25 | H21 | 178.1° | 179.1° |
| N27 | C26 | C25 | H22 | 59.3° | 60.7° |
| N27 | C26 | H23 | H24 | 117.7° | 119.9° |
| C26 | N27 | C28 | H25 | 50.6° | 64.2° |
| C26 | N27 | C28 | H26 | 170.7° | 55.8° |
| C26 | N27 | C28 | H27 | 69.4° | 175.8° |
| C26 | N27 | C29 | H35 | 104.0° | 58.2° |
| C28 | N27 | C29 | H9 | 94.1° | 54.1° |
| C28 | N27 | C26 | H23 | 47.0° | 65.8° |
| C28 | N27 | C26 | H24 | 71.5° | 54.1° |
| N27 | C28 | H25 | H26 | 120.0° | 120.0° |
| N27 | C28 | H25 | H27 | 120.0° | 120.0° |
| N27 | C28 | H26 | H27 | 120.0° | 120.0° |
| C28 | N27 | C29 | H35 | 23.0° | 65.9° |
| H1 | C11 | C12 | H2 | 39.7° | 175.0° |
| H1 | C11 | C12 | H3 | 158.3° | 65.1° |
| H1 | C11 | N10 | H33 | 149.0° | 145.0° |
| H2 | C12 | C13 | H4 | 178.6° | 180.0° |
| H2 | C12 | C13 | H5 | 60.1° | 60.1° |
| H3 | C12 | C13 | H4 | 62.8° | 60.0° |
| H3 | C12 | C13 | H5 | 178.7° | 180.0° |
| H4 | C13 | C14 | H6 | 176.5° | 180.0° |
| H4 | C13 | C14 | H7 | 64.6° | 60.0° |
| H5 | C13 | C14 | H6 | 57.9° | 60.0° |
| H5 | C13 | C14 | H7 | 176.8° | 180.0° |
| H6 | C14 | C15 | H16 | 59.4° | 60.0° |
| H6 | C14 | C15 | H17 | 60.5° | 180.0° |
| H6 | C14 | C15 | H18 | 179.4° | 60.0° |
| H7 | C14 | C15 | H16 | 59.4° | 60.0° |
| H7 | C14 | C15 | H17 | 179.4° | 60.0° |
| H7 | C14 | C15 | H18 | 60.6° | 180.0° |
| H8 | C21 | C20 | H19 | 0.2° | 0.1° |
| H9 | C29 | C30 | H10 | 14.4° | 60.8° |
| H9 | C29 | C30 | H36 | 102.9° | 59.2° |
| H10 | C30 | C24 | H20 | 26.9° | 62.5° |
| H10 | C30 | C29 | H35 | 131.4° | 59.2° |
| H11 | C33 | C34 | H12 | 0.6° | 0.3° |
| H12 | C34 | C35 | H29 | 0.2° | 0.3° |
| H13 | C01 | C02 | H14 | 0.4° | 0.1° |
| H16 | C15 | H17 | H18 | 120.0° | 120.0° |
| H20 | C24 | C25 | H21 | 68.8° | 62.5° |
| H20 | C24 | C25 | H22 | 49.9° | 57.6° |
| H20 | C24 | C30 | H36 | 90.3° | 57.6° |
| H21 | C25 | C26 | H23 | 61.2° | 59.1° |
| H21 | C25 | C26 | H24 | 57.3° | 60.9° |
| H22 | C25 | C26 | H23 | 180.0° | 179.2° |
| H22 | C25 | C26 | H24 | 61.4° | 59.2° |
| H25 | C28 | H26 | H27 | 120.0° | 120.0° |
| H30 | C36 | C37 | H31 | 0.1° | 0.1° |
| H35 | C29 | C30 | H36 | 14.2° | 179.2° |
