LXT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C1 | sing | 1.51Å | 1.54Å | |
| C3 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | N2 | sing | 1.46Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | C34 | sing | 1.35Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C27 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N5 | C4 | sing | 1.35Å | 1.34Å | |
| O6 | C4 | doub | 1.21Å | 1.23Å | |
| C7 | N5 | sing | 1.46Å | 1.48Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C9 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| N11 | C9 | sing | 1.35Å | 1.33Å | |
| O10 | C9 | doub | 1.21Å | 1.23Å | |
| C12 | N11 | sing | 1.46Å | 1.47Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C19 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C33 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| O35 | C34 | doub | 1.21Å | 1.23Å | |
| C34 | C36 | sing | 1.51Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | N38 | sing | 1.47Å | 1.48Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | C41 | sing | 1.53Å | 1.54Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| N38 | HN38 | sing | 1.01Å | 1.00Å | |
| N38 | HN3A | sing | 1.01Å | 1.00Å | |
| C42 | C41 | sing | 1.51Å | 1.54Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C47 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C46 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C3 | 111.1° | 109.4° |
| C4 | C1 | N2 | 111.4° | 109.5° |
| C4 | C1 | H1 | 107.0° | 109.5° |
| C1 | C4 | N5 | 113.9° | 120.0° |
| C1 | C4 | O6 | 121.1° | 120.0° |
| C3 | C1 | N2 | 109.5° | 109.5° |
| C3 | C1 | H1 | 109.0° | 109.5° |
| C1 | C3 | C27 | 113.9° | 109.4° |
| C1 | C3 | H3 | 108.0° | 109.5° |
| C1 | C3 | H3A | 108.0° | 109.5° |
| N2 | C1 | H1 | 108.7° | 109.5° |
| C1 | N2 | C34 | 125.9° | 120.0° |
| C1 | N2 | HN2 | 117.1° | 120.0° |
| C34 | N2 | HN2 | 117.1° | 120.0° |
| N2 | C34 | O35 | 125.1° | 120.0° |
| N2 | C34 | C36 | 114.5° | 120.0° |
| C27 | C3 | H3 | 108.0° | 109.5° |
| C27 | C3 | H3A | 108.0° | 109.4° |
| C3 | C27 | C28 | 110.9° | 109.5° |
| C3 | C27 | H27 | 109.0° | 109.4° |
| C3 | C27 | H27A | 109.0° | 109.4° |
| H3 | C3 | H3A | 110.9° | 109.5° |
| N5 | C4 | O6 | 124.9° | 120.0° |
| C4 | N5 | C7 | 124.7° | 120.0° |
| C4 | N5 | HN5 | 117.6° | 120.0° |
| C7 | N5 | HN5 | 117.7° | 120.0° |
| N5 | C7 | C9 | 108.7° | 109.5° |
| N5 | C7 | C8 | 108.2° | 109.5° |
| N5 | C7 | H7 | 112.0° | 109.5° |
| C9 | C7 | C8 | 112.7° | 109.5° |
| C9 | C7 | H7 | 107.4° | 109.4° |
| C7 | C9 | N11 | 114.9° | 120.0° |
| C7 | C9 | O10 | 121.2° | 120.0° |
| C8 | C7 | H7 | 108.0° | 109.5° |
| C7 | C8 | C20 | 115.0° | 109.5° |
| C7 | C8 | H8 | 107.7° | 109.5° |
| C7 | C8 | H8A | 107.6° | 109.5° |
| C20 | C8 | H8 | 107.7° | 109.5° |
| C20 | C8 | H8A | 107.7° | 109.5° |
| C8 | C20 | C21 | 116.3° | 109.5° |
| C8 | C20 | H20 | 107.3° | 109.5° |
| C8 | C20 | H20A | 107.3° | 109.5° |
| H8 | C8 | H8A | 111.2° | 109.4° |
| N11 | C9 | O10 | 123.9° | 120.0° |
| C9 | N11 | C12 | 123.7° | 120.0° |
| C9 | N11 | HN11 | 118.2° | 119.9° |
| C12 | N11 | HN11 | 118.2° | 120.1° |
| N11 | C12 | C13 | 106.6° | 109.5° |
| N11 | C12 | H12 | 110.4° | 109.5° |
| N11 | C12 | H12A | 110.4° | 109.5° |
| C13 | C12 | H12 | 110.4° | 109.4° |
| C13 | C12 | H12A | 110.4° | 109.5° |
| C12 | C13 | C14 | 120.7° | 119.9° |
| C12 | C13 | C18 | 119.5° | 120.0° |
| H12 | C12 | H12A | 108.5° | 109.5° |
| C14 | C13 | C18 | 119.8° | 120.0° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C13 | C14 | H14 | 119.8° | 120.1° |
| C13 | C18 | C17 | 119.8° | 120.0° |
| C13 | C18 | H18 | 120.1° | 120.0° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C16 | C15 | H15 | 120.2° | 120.0° |
| C15 | C16 | C19 | 120.3° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C19 | C16 | C17 | 119.6° | 120.0° |
| C16 | C19 | H19 | 109.5° | 109.5° |
| C16 | C19 | H19A | 109.4° | 109.4° |
| C16 | C19 | H19B | 109.4° | 109.5° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| C21 | C20 | H20 | 107.2° | 109.5° |
| C21 | C20 | H20A | 107.3° | 109.5° |
| C20 | C21 | C22 | 118.1° | 120.0° |
| C20 | C21 | C26 | 122.5° | 120.0° |
| H20 | C20 | H20A | 111.6° | 109.4° |
| C22 | C21 | C26 | 119.4° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C21 | C22 | H22 | 119.7° | 120.0° |
| C21 | C26 | C25 | 120.6° | 120.0° |
| C21 | C26 | H26 | 119.7° | 120.0° |
| C23 | C22 | H22 | 119.8° | 120.0° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C24 | C23 | H23 | 120.2° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C23 | C24 | H24 | 119.9° | 120.0° |
| C25 | C24 | H24 | 119.9° | 120.0° |
| C24 | C25 | C26 | 119.6° | 120.0° |
| C24 | C25 | H25 | 120.2° | 120.0° |
| C26 | C25 | H25 | 120.2° | 120.0° |
| C25 | C26 | H26 | 119.7° | 120.0° |
| C28 | C27 | H27 | 109.0° | 109.5° |
| C28 | C27 | H27A | 109.0° | 109.5° |
| C27 | C28 | C33 | 120.3° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| H27 | C27 | H27A | 109.9° | 109.5° |
| C33 | C28 | C29 | 119.6° | 120.0° |
| C28 | C33 | C32 | 119.3° | 120.0° |
| C28 | C33 | H33 | 120.3° | 120.0° |
| C28 | C29 | C30 | 121.0° | 120.0° |
| C28 | C29 | H29 | 119.5° | 120.0° |
| C30 | C29 | H29 | 119.5° | 120.0° |
| C29 | C30 | C31 | 119.1° | 120.0° |
| C29 | C30 | H30 | 120.4° | 120.0° |
| C31 | C30 | H30 | 120.5° | 120.0° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C32 | C31 | H31 | 120.0° | 120.0° |
| C31 | C32 | C33 | 121.0° | 120.0° |
| C31 | C32 | H32 | 119.5° | 120.0° |
| C33 | C32 | H32 | 119.5° | 120.0° |
| C32 | C33 | H33 | 120.4° | 120.0° |
| O35 | C34 | C36 | 120.4° | 120.0° |
| C34 | C36 | C37 | 111.9° | 109.5° |
| C34 | C36 | N38 | 109.3° | 109.5° |
| C34 | C36 | H36 | 107.9° | 109.5° |
| C37 | C36 | N38 | 109.5° | 109.5° |
| C37 | C36 | H36 | 107.8° | 109.4° |
| C36 | C37 | C41 | 111.9° | 109.5° |
| C36 | C37 | H37 | 108.7° | 109.5° |
| C36 | C37 | H37A | 108.7° | 109.5° |
| N38 | C36 | H36 | 110.4° | 109.5° |
| C36 | N38 | HN38 | 109.5° | 111.0° |
| C36 | N38 | HN3A | 109.5° | 111.0° |
| C41 | C37 | H37 | 108.7° | 109.4° |
| C41 | C37 | H37A | 108.7° | 109.5° |
| C37 | C41 | C42 | 111.7° | 109.5° |
| C37 | C41 | H41 | 108.7° | 109.4° |
| C37 | C41 | H41A | 108.7° | 109.5° |
| H37 | C37 | H37A | 110.3° | 109.4° |
| HN38 | N38 | HN3A | 109.5° | 111.0° |
| C42 | C41 | H41 | 108.7° | 109.5° |
| C42 | C41 | H41A | 108.7° | 109.5° |
| C41 | C42 | C47 | 120.8° | 120.0° |
| C41 | C42 | C43 | 119.5° | 120.0° |
| H41 | C41 | H41A | 110.2° | 109.5° |
| C47 | C42 | C43 | 119.8° | 120.0° |
| C42 | C47 | C46 | 120.7° | 120.0° |
| C42 | C47 | H47 | 119.7° | 120.0° |
| C42 | C43 | C44 | 119.7° | 120.0° |
| C42 | C43 | H43 | 120.1° | 120.0° |
| C44 | C43 | H43 | 120.2° | 120.0° |
| C43 | C44 | C45 | 120.1° | 120.0° |
| C43 | C44 | H44 | 120.0° | 120.0° |
| C45 | C44 | H44 | 119.9° | 120.0° |
| C44 | C45 | C46 | 120.6° | 120.0° |
| C44 | C45 | H45 | 119.7° | 120.0° |
| C46 | C45 | H45 | 119.7° | 120.1° |
| C45 | C46 | C47 | 119.1° | 120.0° |
| C45 | C46 | H46 | 120.5° | 120.0° |
| C47 | C46 | H46 | 120.4° | 120.0° |
| C46 | C47 | H47 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C3 | N2 | 123.4° | 120.0° |
| C4 | C1 | C3 | H1 | 117.7° | 120.0° |
| C4 | C1 | N2 | H1 | 117.7° | 120.0° |
| C4 | C1 | N2 | C34 | 54.1° | 155.0° |
| C4 | C1 | N2 | HN2 | 126.0° | 25.0° |
| C4 | C1 | C3 | C27 | 78.5° | 175.0° |
| C4 | C1 | C3 | H3 | 161.5° | 65.0° |
| C4 | C1 | C3 | H3A | 41.5° | 55.1° |
| C1 | C4 | N5 | O6 | 179.4° | 179.9° |
| C1 | C4 | N5 | C7 | 179.4° | 180.0° |
| C1 | C4 | N5 | HN5 | 0.5° | 0.1° |
| C3 | C1 | N2 | H1 | 119.0° | 120.0° |
| C3 | C1 | N2 | C34 | 177.3° | 85.0° |
| C3 | C1 | N2 | HN2 | 2.7° | 94.9° |
| C1 | C3 | C27 | H3 | 120.0° | 120.0° |
| C1 | C3 | C27 | H3A | 120.0° | 120.0° |
| C1 | C3 | H3 | H3A | 118.2° | 120.0° |
| C3 | C1 | C4 | N5 | 109.5° | 60.1° |
| C3 | C1 | C4 | O6 | 71.0° | 120.0° |
| C1 | C3 | C27 | C28 | 146.1° | 180.0° |
| C1 | C3 | C27 | H27 | 93.9° | 60.0° |
| C1 | C3 | C27 | H27A | 26.1° | 60.0° |
| C1 | N2 | C34 | HN2 | 180.0° | 180.0° |
| N2 | C1 | C3 | C27 | 158.1° | 65.0° |
| N2 | C1 | C3 | H3 | 38.1° | 55.0° |
| N2 | C1 | C3 | H3A | 81.9° | 175.0° |
| N2 | C1 | C4 | N5 | 128.1° | 180.0° |
| N2 | C1 | C4 | O6 | 51.3° | 0.1° |
| C1 | N2 | C34 | O35 | 0.0° | 0.0° |
| C1 | N2 | C34 | C36 | 177.8° | 180.0° |
| H1 | C1 | N2 | C34 | 63.7° | 35.0° |
| H1 | C1 | N2 | HN2 | 116.3° | 145.0° |
| H1 | C1 | C3 | C27 | 39.3° | 55.0° |
| H1 | C1 | C3 | H3 | 80.7° | 175.0° |
| H1 | C1 | C3 | H3A | 159.3° | 64.9° |
| H1 | C1 | C4 | N5 | 9.4° | 59.9° |
| H1 | C1 | C4 | O6 | 170.1° | 120.0° |
| N2 | C34 | O35 | C36 | 177.7° | 180.0° |
| N2 | C34 | C36 | C37 | 140.9° | 80.0° |
| N2 | C34 | C36 | N38 | 97.7° | 160.0° |
| N2 | C34 | C36 | H36 | 22.4° | 40.0° |
| HN2 | N2 | C34 | O35 | 180.0° | 180.0° |
| HN2 | N2 | C34 | C36 | 2.2° | 0.0° |
| C27 | C3 | H3 | H3A | 118.2° | 120.0° |
| C3 | C27 | C28 | H27 | 120.0° | 120.0° |
| C3 | C27 | C28 | H27A | 120.0° | 120.0° |
| C3 | C27 | H27 | H27A | 119.4° | 119.9° |
| C3 | C27 | C28 | C33 | 87.2° | 90.3° |
| C3 | C27 | C28 | C29 | 92.2° | 90.0° |
| H3 | C3 | C27 | C28 | 26.2° | 60.0° |
| H3 | C3 | C27 | H27 | 146.2° | 180.0° |
| H3 | C3 | C27 | H27A | 93.8° | 60.1° |
| H3A | C3 | C27 | C28 | 93.9° | 60.0° |
| H3A | C3 | C27 | H27 | 26.1° | 60.0° |
| H3A | C3 | C27 | H27A | 146.1° | 179.9° |
| C4 | N5 | C7 | HN5 | 180.0° | 179.9° |
| C4 | N5 | C7 | C9 | 115.5° | 155.0° |
| C4 | N5 | C7 | C8 | 121.8° | 85.0° |
| C4 | N5 | C7 | H7 | 3.0° | 35.0° |
| O6 | C4 | N5 | C7 | 0.0° | 0.1° |
| O6 | C4 | N5 | HN5 | 180.0° | 180.0° |
| N5 | C7 | C9 | C8 | 119.9° | 120.0° |
| N5 | C7 | C9 | H7 | 121.4° | 120.0° |
| N5 | C7 | C8 | H7 | 121.4° | 120.1° |
| N5 | C7 | C8 | C20 | 147.2° | 65.0° |
| N5 | C7 | C8 | H8 | 27.2° | 55.0° |
| N5 | C7 | C8 | H8A | 92.8° | 175.0° |
| N5 | C7 | C9 | N11 | 127.1° | 180.0° |
| N5 | C7 | C9 | O10 | 51.8° | 0.0° |
| HN5 | N5 | C7 | C9 | 64.5° | 25.0° |
| HN5 | N5 | C7 | C8 | 58.2° | 95.0° |
| HN5 | N5 | C7 | H7 | 177.0° | 144.9° |
| C9 | C7 | C8 | H7 | 118.4° | 119.9° |
| C9 | C7 | C8 | C20 | 92.6° | 175.0° |
| C9 | C7 | C8 | H8 | 147.4° | 65.0° |
| C9 | C7 | C8 | H8A | 27.4° | 55.0° |
| C7 | C9 | N11 | O10 | 178.9° | 180.0° |
| C7 | C9 | N11 | C12 | 177.2° | 180.0° |
| C7 | C9 | N11 | HN11 | 2.8° | 0.0° |
| C7 | C8 | C20 | H8 | 120.0° | 120.1° |
| C7 | C8 | C20 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 117.7° | 120.0° |
| C8 | C7 | C9 | N11 | 113.0° | 60.0° |
| C8 | C7 | C9 | O10 | 68.1° | 120.0° |
| C7 | C8 | C20 | C21 | 63.8° | 180.0° |
| C7 | C8 | C20 | H20 | 176.2° | 59.9° |
| C7 | C8 | C20 | H20A | 56.2° | 60.0° |
| H7 | C7 | C8 | C20 | 25.8° | 55.0° |
| H7 | C7 | C8 | H8 | 94.2° | 175.1° |
| H7 | C7 | C8 | H8A | 145.8° | 64.9° |
| H7 | C7 | C9 | N11 | 5.7° | 60.0° |
| H7 | C7 | C9 | O10 | 173.2° | 120.0° |
| C20 | C8 | H8 | H8A | 117.7° | 120.0° |
| C8 | C20 | C21 | H20 | 120.0° | 120.0° |
| C8 | C20 | C21 | H20A | 120.0° | 120.0° |
| C8 | C20 | H20 | H20A | 117.2° | 120.0° |
| C8 | C20 | C21 | C22 | 162.5° | 89.7° |
| C8 | C20 | C21 | C26 | 17.7° | 90.0° |
| H8 | C8 | C20 | C21 | 56.2° | 59.9° |
| H8 | C8 | C20 | H20 | 63.8° | 180.0° |
| H8 | C8 | C20 | H20A | 176.2° | 60.1° |
| H8A | C8 | C20 | C21 | 176.2° | 60.0° |
| H8A | C8 | C20 | H20 | 56.2° | 60.1° |
| H8A | C8 | C20 | H20A | 63.8° | 180.0° |
| C9 | N11 | C12 | HN11 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 101.9° | 180.0° |
| C9 | N11 | C12 | H12 | 138.2° | 60.0° |
| C9 | N11 | C12 | H12A | 18.1° | 60.0° |
| O10 | C9 | N11 | C12 | 1.6° | 0.0° |
| O10 | C9 | N11 | HN11 | 178.4° | 180.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12A | 121.2° | 120.0° |
| N11 | C12 | C13 | C14 | 107.6° | 89.7° |
| N11 | C12 | C13 | C18 | 71.2° | 90.0° |
| HN11 | N11 | C12 | C13 | 78.1° | 0.0° |
| HN11 | N11 | C12 | H12 | 41.8° | 120.0° |
| HN11 | N11 | C12 | H12A | 161.9° | 120.0° |
| C13 | C12 | H12 | H12A | 121.2° | 120.0° |
| C12 | C13 | C14 | C18 | 178.7° | 179.7° |
| C12 | C13 | C14 | C15 | 179.1° | 180.0° |
| C12 | C13 | C14 | H14 | 0.9° | 0.0° |
| C12 | C13 | C18 | C17 | 179.2° | 179.8° |
| C12 | C13 | C18 | H18 | 0.9° | 0.0° |
| H12 | C12 | C13 | C14 | 12.4° | 150.3° |
| H12 | C12 | C13 | C18 | 168.8° | 30.0° |
| H12A | C12 | C13 | C14 | 132.4° | 30.3° |
| H12A | C12 | C13 | C18 | 48.8° | 150.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.4° | 0.5° |
| C14 | C13 | C18 | H18 | 179.6° | 179.7° |
| C18 | C13 | C14 | C15 | 0.3° | 0.3° |
| C18 | C13 | C14 | H14 | 179.7° | 179.7° |
| C13 | C18 | C17 | C16 | 0.3° | 0.5° |
| C13 | C18 | C17 | H18 | 180.0° | 179.8° |
| C13 | C18 | C17 | H17 | 179.7° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| C15 | C16 | C19 | C17 | 179.9° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.3° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C15 | C16 | C19 | H19 | 90.0° | 90.1° |
| C15 | C16 | C19 | H19A | 150.0° | 150.0° |
| C15 | C16 | C19 | H19B | 30.0° | 30.0° |
| H15 | C15 | C16 | C19 | 0.1° | 0.1° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| C19 | C16 | C17 | C18 | 179.9° | 179.8° |
| C19 | C16 | C17 | H17 | 0.1° | 0.0° |
| C16 | C19 | H19 | H19A | 120.0° | 119.9° |
| C16 | C19 | H19 | H19B | 120.0° | 120.1° |
| C16 | C19 | H19A | H19B | 120.0° | 120.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | H18 | 179.8° | 179.7° |
| C17 | C16 | C19 | H19 | 90.0° | 90.0° |
| C17 | C16 | C19 | H19A | 30.0° | 30.0° |
| C17 | C16 | C19 | H19B | 150.0° | 149.9° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| C21 | C20 | H20 | H20A | 117.2° | 120.0° |
| C20 | C21 | C22 | C26 | 179.8° | 179.8° |
| C20 | C21 | C22 | C23 | 179.7° | 180.0° |
| C20 | C21 | C22 | H22 | 0.3° | 0.0° |
| C20 | C21 | C26 | C25 | 179.5° | 179.8° |
| C20 | C21 | C26 | H26 | 0.5° | 0.0° |
| H20 | C20 | C21 | C22 | 77.4° | 150.2° |
| H20 | C20 | C21 | C26 | 102.4° | 30.0° |
| H20A | C20 | C21 | C22 | 42.5° | 30.3° |
| H20A | C20 | C21 | C26 | 137.7° | 150.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.5° |
| C22 | C21 | C26 | H26 | 179.3° | 179.8° |
| C26 | C21 | C22 | C23 | 0.5° | 0.3° |
| C26 | C21 | C22 | H22 | 179.5° | 179.7° |
| C21 | C26 | C25 | C24 | 0.5° | 0.4° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C21 | C26 | C25 | H25 | 179.5° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| H22 | C22 | C23 | C24 | 179.9° | 180.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.2° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| H23 | C23 | C24 | C25 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 179.5° | 179.8° |
| H24 | C24 | C25 | C26 | 179.9° | 179.9° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H25 | C25 | C26 | H26 | 0.5° | 0.1° |
| C28 | C27 | H27 | H27A | 119.4° | 120.1° |
| C27 | C28 | C33 | C29 | 179.4° | 179.7° |
| C27 | C28 | C29 | C30 | 179.4° | 180.0° |
| C27 | C28 | C29 | H29 | 0.6° | 0.1° |
| C27 | C28 | C33 | C32 | 179.4° | 179.8° |
| C27 | C28 | C33 | H33 | 0.5° | 0.0° |
| H27 | C27 | C28 | C33 | 32.8° | 149.8° |
| H27 | C27 | C28 | C29 | 147.8° | 29.9° |
| H27A | C27 | C28 | C33 | 152.8° | 29.7° |
| H27A | C27 | C28 | C29 | 27.8° | 150.0° |
| C33 | C28 | C29 | C30 | 0.0° | 0.3° |
| C33 | C28 | C29 | H29 | 180.0° | 179.7° |
| C28 | C33 | C32 | C31 | 0.0° | 0.5° |
| C28 | C33 | C32 | H33 | 180.0° | 179.7° |
| C28 | C33 | C32 | H32 | 180.0° | 179.7° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C28 | C33 | C32 | 0.1° | 0.6° |
| C29 | C28 | C33 | H33 | 179.9° | 179.7° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| H29 | C29 | C30 | C31 | 179.9° | 180.0° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.2° |
| C30 | C31 | C32 | H32 | 179.9° | 179.9° |
| H30 | C30 | C31 | C32 | 179.9° | 180.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.8° |
| C31 | C32 | C33 | H33 | 180.0° | 179.8° |
| H31 | C31 | C32 | C33 | 179.9° | 179.8° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H32 | C32 | C33 | H33 | 0.0° | 0.1° |
| O35 | C34 | C36 | C37 | 41.2° | 100.0° |
| O35 | C34 | C36 | N38 | 80.3° | 20.0° |
| O35 | C34 | C36 | H36 | 159.6° | 140.0° |
| C34 | C36 | C37 | N38 | 121.3° | 120.0° |
| C34 | C36 | C37 | H36 | 118.5° | 120.0° |
| C34 | C36 | N38 | H36 | 118.6° | 120.0° |
| C34 | C36 | C37 | C41 | 138.6° | 175.0° |
| C34 | C36 | C37 | H37 | 101.4° | 65.0° |
| C34 | C36 | C37 | H37A | 18.6° | 55.0° |
| C34 | C36 | N38 | HN38 | 180.0° | 60.1° |
| C34 | C36 | N38 | HN3A | 60.0° | 176.1° |
| C37 | C36 | N38 | H36 | 118.5° | 120.0° |
| C36 | C37 | C41 | H37 | 120.0° | 120.0° |
| C36 | C37 | C41 | H37A | 120.0° | 120.0° |
| C36 | C37 | H37 | H37A | 119.0° | 120.0° |
| C37 | C36 | N38 | HN38 | 57.1° | 60.0° |
| C37 | C36 | N38 | HN3A | 177.2° | 63.9° |
| C36 | C37 | C41 | C42 | 146.0° | 180.0° |
| C36 | C37 | C41 | H41 | 26.1° | 60.0° |
| C36 | C37 | C41 | H41A | 93.9° | 60.0° |
| N38 | C36 | C37 | C41 | 100.1° | 65.0° |
| N38 | C36 | C37 | H37 | 19.9° | 55.0° |
| N38 | C36 | C37 | H37A | 139.9° | 175.0° |
| C36 | N38 | HN38 | HN3A | 120.0° | 123.9° |
| H36 | C36 | C37 | C41 | 20.1° | 55.0° |
| H36 | C36 | C37 | H37 | 140.1° | 175.0° |
| H36 | C36 | C37 | H37A | 99.9° | 65.1° |
| H36 | C36 | N38 | HN38 | 61.4° | 179.9° |
| H36 | C36 | N38 | HN3A | 58.6° | 56.0° |
| C41 | C37 | H37 | H37A | 119.0° | 120.0° |
| C37 | C41 | C42 | H41 | 120.0° | 120.0° |
| C37 | C41 | C42 | H41A | 120.0° | 120.0° |
| C37 | C41 | H41 | H41A | 119.1° | 120.0° |
| C37 | C41 | C42 | C47 | 56.0° | 90.3° |
| C37 | C41 | C42 | C43 | 123.9° | 90.0° |
| H37 | C37 | C41 | C42 | 94.0° | 60.0° |
| H37 | C37 | C41 | H41 | 146.1° | 180.0° |
| H37 | C37 | C41 | H41A | 26.1° | 60.0° |
| H37A | C37 | C41 | C42 | 26.1° | 60.0° |
| H37A | C37 | C41 | H41 | 93.9° | 60.0° |
| H37A | C37 | C41 | H41A | 146.1° | 180.0° |
| C42 | C41 | H41 | H41A | 119.1° | 120.0° |
| C41 | C42 | C47 | C43 | 179.8° | 179.7° |
| C41 | C42 | C43 | C44 | 179.8° | 180.0° |
| C41 | C42 | C43 | H43 | 0.2° | 0.0° |
| C41 | C42 | C47 | C46 | 179.6° | 179.7° |
| C41 | C42 | C47 | H47 | 0.4° | 0.3° |
| H41 | C41 | C42 | C47 | 64.0° | 149.7° |
| H41 | C41 | C42 | C43 | 116.2° | 30.0° |
| H41A | C41 | C42 | C47 | 176.0° | 29.7° |
| H41A | C41 | C42 | C43 | 3.9° | 150.0° |
| C47 | C42 | C43 | C44 | 0.1° | 0.3° |
| C47 | C42 | C43 | H43 | 180.0° | 179.8° |
| C42 | C47 | C46 | C45 | 0.2° | 0.6° |
| C42 | C47 | C46 | H47 | 180.0° | 179.4° |
| C42 | C47 | C46 | H46 | 179.8° | 179.7° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.1° | 0.0° |
| C42 | C43 | C44 | H44 | 179.9° | 180.0° |
| C43 | C42 | C47 | C46 | 0.2° | 0.6° |
| C43 | C42 | C47 | H47 | 179.8° | 180.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.2° | 0.0° |
| C43 | C44 | C45 | H45 | 179.8° | 180.0° |
| H43 | C43 | C44 | C45 | 179.9° | 179.9° |
| H43 | C43 | C44 | H44 | 0.1° | 0.0° |
| C44 | C45 | C46 | H45 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 0.0° | 0.3° |
| C44 | C45 | C46 | H46 | 180.0° | 180.0° |
| H44 | C44 | C45 | C46 | 179.9° | 180.0° |
| H44 | C44 | C45 | H45 | 0.2° | 0.0° |
| C45 | C46 | C47 | H46 | 180.0° | 179.7° |
| C45 | C46 | C47 | H47 | 179.8° | 180.0° |
| H45 | C45 | C46 | C47 | 180.0° | 179.7° |
| H45 | C45 | C46 | H46 | 0.0° | 0.0° |
| H46 | C46 | C47 | H47 | 0.2° | 0.3° |
