LWX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C31 | sing | 1.89Å | 1.91Å | |
| C33 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.46Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | N7 | sing | 1.47Å | 1.41Å | |
| C30 | C29 | sing | 1.48Å | 1.46Å | |
| C30 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N2 | sing | 1.47Å | 1.37Å | |
| C37 | C29 | doub | 1.37Å | 1.47Å | |
| C37 | C19 | sing | 1.41Å | 1.51Å | |
| C29 | C28 | sing | 1.46Å | 1.52Å | |
| C18 | C19 | doub | 1.40Å | 1.44Å | Aromatic |
| C18 | N17 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| N17 | C16 | doub | 1.33Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C28 | O38 | doub | 1.22Å | 1.15Å | |
| C28 | N21 | sing | 1.35Å | 1.46Å | |
| C20 | N21 | sing | 1.37Å | 1.50Å | |
| C20 | N39 | doub | 1.33Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | N39 | sing | 1.32Å | 1.37Å | Aromatic |
| C16 | N15 | sing | 1.38Å | 1.43Å | |
| N21 | C22 | sing | 1.47Å | 1.53Å | |
| N15 | C14 | sing | 1.40Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.47Å | |
| C14 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | N7 | sing | 1.40Å | 1.52Å | |
| C8 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| N7 | C4 | sing | 1.47Å | 1.45Å | |
| C35 | C36 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.32Å | |
| N2 | C3 | sing | 1.47Å | 1.34Å | |
| C11 | C12 | sing | 1.51Å | 1.62Å | |
| C23 | C27 | sing | 1.54Å | 1.32Å | |
| C23 | O24 | sing | 1.44Å | 1.65Å | |
| C27 | C26 | sing | 1.54Å | 1.56Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.55Å | 1.58Å | |
| O24 | C25 | sing | 1.44Å | 1.31Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| N15 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C31 | C33 | 116.8° | 120.1° |
| BR1 | C31 | C30 | 124.9° | 120.1° |
| C31 | C33 | C34 | 120.0° | 120.1° |
| C33 | C31 | C30 | 118.3° | 119.8° |
| C31 | C33 | H28 | 120.0° | 119.9° |
| C33 | C34 | C35 | 119.7° | 120.3° |
| C34 | C33 | H28 | 120.0° | 119.9° |
| C33 | C34 | H29 | 120.2° | 119.9° |
| C31 | C30 | C29 | 120.4° | 120.1° |
| C31 | C30 | C36 | 122.9° | 119.8° |
| C34 | C35 | C36 | 121.8° | 120.1° |
| C35 | C34 | H29 | 120.1° | 119.8° |
| C34 | C35 | H30 | 119.1° | 120.0° |
| C5 | C6 | N7 | 109.8° | 109.4° |
| C6 | C5 | N2 | 111.2° | 109.4° |
| C6 | C5 | H13 | 109.0° | 109.5° |
| C6 | C5 | H14 | 109.0° | 109.5° |
| C5 | C6 | H15 | 109.4° | 109.4° |
| C5 | C6 | H16 | 109.4° | 109.4° |
| C6 | N7 | C8 | 121.7° | 111.0° |
| C6 | N7 | C4 | 105.5° | 110.9° |
| N7 | C6 | H15 | 109.4° | 109.5° |
| N7 | C6 | H16 | 109.4° | 109.5° |
| C29 | C30 | C36 | 116.7° | 120.1° |
| C30 | C29 | C37 | 116.7° | 120.3° |
| C30 | C29 | C28 | 120.6° | 120.3° |
| C30 | C36 | C35 | 117.4° | 119.8° |
| C30 | C36 | H31 | 121.3° | 120.1° |
| C5 | N2 | C1 | 108.8° | 111.0° |
| C5 | N2 | C3 | 114.7° | 110.9° |
| N2 | C5 | H13 | 109.0° | 109.5° |
| N2 | C5 | H14 | 109.0° | 109.5° |
| C29 | C37 | C19 | 114.9° | 119.0° |
| C37 | C29 | C28 | 122.7° | 119.4° |
| C29 | C37 | H32 | 122.5° | 120.5° |
| C37 | C19 | C18 | 116.8° | 121.3° |
| C37 | C19 | C20 | 123.9° | 120.2° |
| C19 | C37 | H32 | 122.5° | 120.5° |
| C29 | C28 | O38 | 122.3° | 119.8° |
| C29 | C28 | N21 | 119.3° | 120.3° |
| C19 | C18 | N17 | 115.9° | 118.6° |
| C18 | C19 | C20 | 119.3° | 118.6° |
| C19 | C18 | H18 | 122.0° | 120.7° |
| C18 | N17 | C16 | 123.9° | 121.2° |
| N17 | C18 | H18 | 122.1° | 120.7° |
| C19 | C20 | N21 | 120.5° | 120.4° |
| C19 | C20 | N39 | 121.5° | 118.7° |
| N17 | C16 | N39 | 121.1° | 122.4° |
| N17 | C16 | N15 | 115.7° | 118.8° |
| C9 | C10 | C14 | 120.4° | 120.0° |
| C10 | C9 | C8 | 119.5° | 120.0° |
| C9 | C10 | H1 | 119.8° | 120.0° |
| C10 | C9 | H17 | 120.3° | 120.0° |
| C10 | C14 | N15 | 120.1° | 120.0° |
| C10 | C14 | C13 | 118.9° | 120.0° |
| C14 | C10 | H1 | 119.8° | 120.0° |
| O38 | C28 | N21 | 118.5° | 119.8° |
| C28 | N21 | C20 | 118.8° | 120.6° |
| C28 | N21 | C22 | 121.6° | 119.7° |
| N21 | C20 | N39 | 118.0° | 120.9° |
| C20 | N21 | C22 | 119.6° | 119.7° |
| C20 | N39 | C16 | 118.2° | 120.5° |
| C9 | C8 | N7 | 119.8° | 120.0° |
| C9 | C8 | C11 | 120.7° | 120.0° |
| C8 | C9 | H17 | 120.3° | 120.0° |
| N39 | C16 | N15 | 123.2° | 118.8° |
| C16 | N15 | C14 | 124.8° | 120.0° |
| C16 | N15 | H34 | 117.6° | 120.0° |
| N21 | C22 | C23 | 114.6° | 109.4° |
| N21 | C22 | H19 | 108.2° | 109.5° |
| N21 | C22 | H20 | 108.2° | 109.5° |
| N15 | C14 | C13 | 121.0° | 120.0° |
| C14 | N15 | H34 | 117.6° | 120.0° |
| C22 | C23 | C27 | 105.1° | 110.4° |
| C22 | C23 | O24 | 111.5° | 110.4° |
| C23 | C22 | H19 | 108.2° | 109.5° |
| C23 | C22 | H20 | 108.2° | 109.5° |
| C22 | C23 | H21 | 110.9° | 110.3° |
| C14 | C13 | C11 | 120.9° | 120.0° |
| C14 | C13 | H5 | 119.5° | 120.0° |
| N7 | C8 | C11 | 119.5° | 120.0° |
| C8 | N7 | C4 | 122.2° | 111.0° |
| C8 | C11 | C13 | 119.6° | 120.0° |
| C8 | C11 | C12 | 120.8° | 120.0° |
| N7 | C4 | C3 | 109.5° | 109.4° |
| N7 | C4 | H11 | 109.5° | 109.5° |
| N7 | C4 | H12 | 109.5° | 109.5° |
| C36 | C35 | H30 | 119.1° | 119.9° |
| C35 | C36 | H31 | 121.3° | 120.1° |
| C13 | C11 | C12 | 119.6° | 120.0° |
| C11 | C13 | H5 | 119.6° | 120.0° |
| C1 | N2 | C3 | 108.0° | 111.0° |
| N2 | C1 | H6 | 109.5° | 109.5° |
| N2 | C1 | H7 | 109.4° | 109.5° |
| N2 | C1 | H8 | 109.5° | 109.5° |
| N2 | C3 | C4 | 112.6° | 109.4° |
| N2 | C3 | H9 | 108.7° | 109.5° |
| N2 | C3 | H10 | 108.7° | 109.5° |
| C11 | C12 | H2 | 109.5° | 109.5° |
| C11 | C12 | H3 | 109.4° | 109.4° |
| C11 | C12 | H4 | 109.5° | 109.5° |
| C27 | C23 | O24 | 107.4° | 104.8° |
| C23 | C27 | C26 | 105.6° | 104.1° |
| C27 | C23 | H21 | 113.5° | 110.4° |
| C23 | C27 | H26 | 110.5° | 110.5° |
| C23 | C27 | H27 | 110.4° | 110.5° |
| C23 | O24 | C25 | 106.9° | 105.3° |
| O24 | C23 | H21 | 108.5° | 110.5° |
| C27 | C26 | C25 | 106.1° | 104.0° |
| C27 | C26 | H24 | 110.3° | 110.5° |
| C27 | C26 | H25 | 110.3° | 110.7° |
| C26 | C27 | H26 | 110.4° | 110.5° |
| C26 | C27 | H27 | 110.4° | 110.5° |
| C4 | C3 | H9 | 108.7° | 109.5° |
| C4 | C3 | H10 | 108.7° | 109.5° |
| C3 | C4 | H11 | 109.5° | 109.5° |
| C3 | C4 | H12 | 109.5° | 109.5° |
| C26 | C25 | O24 | 106.6° | 104.8° |
| C26 | C25 | H22 | 110.2° | 110.4° |
| C26 | C25 | H23 | 110.2° | 110.4° |
| C25 | C26 | H24 | 110.3° | 110.5° |
| C25 | C26 | H25 | 110.3° | 110.5° |
| O24 | C25 | H22 | 110.2° | 110.4° |
| O24 | C25 | H23 | 110.2° | 110.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H4 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 110.3° |
| H24 | C26 | H25 | 109.5° | 110.4° |
| H26 | C27 | H27 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C31 | C33 | C30 | 179.4° | 180.0° |
| BR1 | C31 | C33 | C34 | 178.9° | 180.0° |
| BR1 | C31 | C30 | C29 | 1.6° | 0.0° |
| BR1 | C31 | C30 | C36 | 179.0° | 179.7° |
| BR1 | C31 | C33 | H28 | 1.1° | 0.0° |
| C31 | C33 | C34 | H28 | 180.0° | 179.9° |
| C31 | C33 | C34 | C35 | 0.3° | 0.0° |
| C33 | C31 | C30 | C29 | 179.0° | 180.0° |
| C33 | C31 | C30 | C36 | 0.3° | 0.3° |
| C31 | C33 | C34 | H29 | 179.7° | 180.0° |
| C34 | C33 | C31 | C30 | 0.5° | 0.0° |
| C33 | C34 | C35 | H29 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.2° |
| C33 | C34 | C35 | H30 | 179.8° | 180.0° |
| C31 | C30 | C29 | C36 | 179.4° | 179.7° |
| C31 | C30 | C29 | C37 | 89.5° | 104.7° |
| C31 | C30 | C29 | C28 | 89.8° | 75.3° |
| C31 | C30 | C36 | C35 | 0.1° | 0.5° |
| C30 | C31 | C33 | H28 | 179.5° | 180.0° |
| C31 | C30 | C36 | H31 | 179.9° | 179.7° |
| C34 | C35 | C36 | C30 | 0.4° | 0.5° |
| C34 | C35 | C36 | H30 | 180.0° | 179.7° |
| C35 | C34 | C33 | H28 | 179.7° | 180.0° |
| C34 | C35 | C36 | H31 | 179.6° | 179.7° |
| C5 | C6 | N7 | H15 | 120.0° | 119.9° |
| C5 | C6 | N7 | H16 | 120.1° | 119.9° |
| C6 | C5 | N2 | H13 | 120.3° | 119.9° |
| C6 | C5 | N2 | H14 | 120.3° | 120.0° |
| C5 | C6 | N7 | C8 | 152.0° | 176.8° |
| C5 | C6 | N7 | C4 | 62.9° | 59.3° |
| C6 | C5 | N2 | C1 | 172.6° | 176.8° |
| C6 | C5 | N2 | C3 | 51.5° | 59.3° |
| C6 | C5 | H13 | H14 | 119.2° | 120.1° |
| C5 | C6 | H15 | H16 | 119.8° | 120.0° |
| N7 | C6 | C5 | N2 | 58.6° | 58.4° |
| C6 | N7 | C8 | C9 | 51.1° | 60.0° |
| C6 | N7 | C8 | C4 | 139.4° | 123.8° |
| C6 | N7 | C8 | C11 | 130.1° | 120.0° |
| C6 | N7 | C4 | C3 | 61.1° | 59.3° |
| C6 | N7 | C4 | H11 | 58.9° | 179.2° |
| C6 | N7 | C4 | H12 | 178.9° | 60.6° |
| N7 | C6 | C5 | H13 | 61.6° | 61.5° |
| N7 | C6 | C5 | H14 | 178.9° | 178.4° |
| N7 | C6 | H15 | H16 | 119.9° | 120.1° |
| C30 | C29 | C37 | C28 | 179.2° | 180.0° |
| C30 | C29 | C37 | C19 | 178.9° | 180.0° |
| C30 | C29 | C28 | O38 | 1.2° | 0.0° |
| C30 | C29 | C28 | N21 | 179.3° | 179.8° |
| C29 | C30 | C36 | C35 | 179.5° | 179.7° |
| C29 | C30 | C36 | H31 | 0.5° | 0.0° |
| C30 | C29 | C37 | H32 | 1.1° | 0.0° |
| C36 | C30 | C29 | C37 | 91.2° | 75.0° |
| C36 | C30 | C29 | C28 | 89.6° | 105.0° |
| C30 | C36 | C35 | H31 | 180.0° | 179.7° |
| C30 | C36 | C35 | H30 | 179.6° | 179.8° |
| C5 | N2 | C1 | C3 | 125.1° | 123.8° |
| C5 | N2 | C3 | C4 | 50.6° | 59.3° |
| C5 | N2 | C1 | H6 | 180.0° | 60.0° |
| C5 | N2 | C1 | H7 | 60.0° | 180.0° |
| C5 | N2 | C1 | H8 | 60.0° | 60.0° |
| C5 | N2 | C3 | H9 | 69.8° | 179.3° |
| C5 | N2 | C3 | H10 | 171.1° | 60.7° |
| N2 | C5 | H13 | H14 | 119.2° | 120.1° |
| N2 | C5 | C6 | H15 | 61.4° | 61.6° |
| N2 | C5 | C6 | H16 | 178.7° | 178.4° |
| C29 | C37 | C19 | H32 | 180.0° | 180.0° |
| C29 | C37 | C19 | C18 | 179.6° | 180.0° |
| C29 | C37 | C19 | C20 | 0.4° | 0.3° |
| C37 | C29 | C28 | O38 | 179.6° | 180.0° |
| C37 | C29 | C28 | N21 | 0.1° | 0.2° |
| C19 | C37 | C29 | C28 | 0.3° | 0.0° |
| C37 | C19 | C18 | C20 | 179.9° | 179.7° |
| C37 | C19 | C18 | N17 | 179.8° | 180.0° |
| C37 | C19 | C20 | N21 | 0.1° | 0.2° |
| C37 | C19 | C20 | N39 | 179.4° | 179.8° |
| C37 | C19 | C18 | H18 | 0.1° | 0.3° |
| C29 | C28 | O38 | N21 | 179.5° | 179.8° |
| C29 | C28 | N21 | C20 | 0.5° | 0.3° |
| C29 | C28 | N21 | C22 | 178.9° | 179.8° |
| C28 | C29 | C37 | H32 | 179.7° | 180.0° |
| C19 | C18 | N17 | H18 | 180.0° | 179.7° |
| C19 | C18 | N17 | C16 | 0.3° | 0.0° |
| C18 | C19 | C20 | N21 | 180.0° | 180.0° |
| C18 | C19 | C20 | N39 | 0.5° | 0.5° |
| C18 | C19 | C37 | H32 | 0.4° | 0.0° |
| N17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C18 | N17 | C16 | N39 | 0.2° | 0.0° |
| C18 | N17 | C16 | N15 | 179.9° | 179.7° |
| C19 | C20 | N21 | C28 | 0.4° | 0.0° |
| C19 | C20 | N21 | N39 | 179.6° | 179.5° |
| C19 | C20 | N39 | C16 | 0.5° | 0.5° |
| C19 | C20 | N21 | C22 | 178.8° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C20 | C19 | C37 | H32 | 179.5° | 179.7° |
| N17 | C16 | N39 | C20 | 0.2° | 0.2° |
| N17 | C16 | N39 | N15 | 179.9° | 179.7° |
| N17 | C16 | N15 | C14 | 176.0° | 5.8° |
| C16 | N17 | C18 | H18 | 179.7° | 179.7° |
| N17 | C16 | N15 | H34 | 4.0° | 174.2° |
| C9 | C10 | C14 | H1 | 180.0° | 180.0° |
| C10 | C9 | C8 | H17 | 180.0° | 180.0° |
| C9 | C10 | C14 | N15 | 179.2° | 179.8° |
| C9 | C10 | C14 | C13 | 1.5° | 0.1° |
| C10 | C9 | C8 | N7 | 179.0° | 180.0° |
| C10 | C9 | C8 | C11 | 0.3° | 0.0° |
| C14 | C10 | C9 | C8 | 1.2° | 0.1° |
| C10 | C14 | N15 | C16 | 157.9° | 34.1° |
| C10 | C14 | N15 | C13 | 179.2° | 179.7° |
| C10 | C14 | C13 | C11 | 0.4° | 0.0° |
| C10 | C14 | C13 | H5 | 179.6° | 180.0° |
| C14 | C10 | C9 | H17 | 178.8° | 179.9° |
| C10 | C14 | N15 | H34 | 22.1° | 145.9° |
| O38 | C28 | N21 | C20 | 179.9° | 180.0° |
| O38 | C28 | N21 | C22 | 1.6° | 0.0° |
| C28 | N21 | C20 | C22 | 178.5° | 180.0° |
| C28 | N21 | C20 | N39 | 179.9° | 179.5° |
| C28 | N21 | C22 | C23 | 104.3° | 90.0° |
| C28 | N21 | C22 | H19 | 16.4° | 150.0° |
| C28 | N21 | C22 | H20 | 134.9° | 30.0° |
| N21 | C20 | N39 | C16 | 179.9° | 180.0° |
| C20 | N21 | C22 | C23 | 77.2° | 90.0° |
| C20 | N21 | C22 | H19 | 162.0° | 29.9° |
| C20 | N21 | C22 | H20 | 43.5° | 150.0° |
| C20 | N39 | C16 | N15 | 179.7° | 179.9° |
| N39 | C20 | N21 | C22 | 1.6° | 0.5° |
| C9 | C8 | N7 | C11 | 178.7° | 180.0° |
| C9 | C8 | N7 | C4 | 88.2° | 63.8° |
| C9 | C8 | C11 | C13 | 1.3° | 0.1° |
| C9 | C8 | C11 | C12 | 179.2° | 180.0° |
| C8 | C9 | C10 | H1 | 178.8° | 180.0° |
| N39 | C16 | N15 | C14 | 3.9° | 174.5° |
| N39 | C16 | N15 | H34 | 176.1° | 5.5° |
| C16 | N15 | C14 | H34 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 22.9° | 146.2° |
| N21 | C22 | C23 | H19 | 120.8° | 120.0° |
| N21 | C22 | C23 | H20 | 120.8° | 120.0° |
| N21 | C22 | C23 | C27 | 153.7° | 175.0° |
| N21 | C22 | C23 | O24 | 37.7° | 69.6° |
| N21 | C22 | H19 | H20 | 117.7° | 120.0° |
| N21 | C22 | C23 | H21 | 83.3° | 52.8° |
| N15 | C14 | C13 | C11 | 179.7° | 179.7° |
| N15 | C14 | C10 | H1 | 0.8° | 0.3° |
| N15 | C14 | C13 | H5 | 0.3° | 0.3° |
| C22 | C23 | C27 | O24 | 118.8° | 118.8° |
| C22 | C23 | C27 | H21 | 121.3° | 122.2° |
| C22 | C23 | O24 | H21 | 122.4° | 122.3° |
| C22 | C23 | C27 | C26 | 94.4° | 142.8° |
| C22 | C23 | O24 | C25 | 85.4° | 159.3° |
| C23 | C22 | H19 | H20 | 117.7° | 120.0° |
| C22 | C23 | C27 | H26 | 25.0° | 24.1° |
| C22 | C23 | C27 | H27 | 146.2° | 98.5° |
| C14 | C13 | C11 | C8 | 1.0° | 0.1° |
| C14 | C13 | C11 | H5 | 180.0° | 180.0° |
| C14 | C13 | C11 | C12 | 179.6° | 180.0° |
| C13 | C14 | C10 | H1 | 178.5° | 180.0° |
| C13 | C14 | N15 | H34 | 157.1° | 33.8° |
| N7 | C8 | C11 | C13 | 180.0° | 179.9° |
| N7 | C8 | C11 | C12 | 0.5° | 0.0° |
| C8 | N7 | C4 | C3 | 154.0° | 176.8° |
| C8 | N7 | C4 | H11 | 86.0° | 56.9° |
| C8 | N7 | C4 | H12 | 34.0° | 63.2° |
| C8 | N7 | C6 | H15 | 88.0° | 63.3° |
| C8 | N7 | C6 | H16 | 31.9° | 56.9° |
| N7 | C8 | C9 | H17 | 1.0° | 0.0° |
| C11 | C8 | N7 | C4 | 90.5° | 116.2° |
| C8 | C11 | C13 | C12 | 179.4° | 179.9° |
| C8 | C11 | C12 | H2 | 90.3° | 89.9° |
| C8 | C11 | C12 | H3 | 149.7° | 30.1° |
| C8 | C11 | C12 | H4 | 29.7° | 150.0° |
| C8 | C11 | C13 | H5 | 179.0° | 179.9° |
| C11 | C8 | C9 | H17 | 179.8° | 180.0° |
| N7 | C4 | C3 | N2 | 55.6° | 58.4° |
| N7 | C4 | C3 | H11 | 120.0° | 119.9° |
| N7 | C4 | C3 | H12 | 120.0° | 120.0° |
| N7 | C4 | C3 | H9 | 64.9° | 178.4° |
| N7 | C4 | C3 | H10 | 176.1° | 61.6° |
| N7 | C4 | H11 | H12 | 120.0° | 120.1° |
| C4 | N7 | C6 | H15 | 57.1° | 60.6° |
| C4 | N7 | C6 | H16 | 177.0° | 179.3° |
| C36 | C35 | C34 | H29 | 179.8° | 179.7° |
| C13 | C11 | C12 | H2 | 90.3° | 90.0° |
| C13 | C11 | C12 | H3 | 29.7° | 150.0° |
| C13 | C11 | C12 | H4 | 149.7° | 30.1° |
| C1 | N2 | C3 | C4 | 172.2° | 176.8° |
| N2 | C1 | H6 | H7 | 120.0° | 120.1° |
| N2 | C1 | H6 | H8 | 120.0° | 120.0° |
| N2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | N2 | C3 | H9 | 51.7° | 56.8° |
| C1 | N2 | C3 | H10 | 67.3° | 63.2° |
| C1 | N2 | C5 | H13 | 52.3° | 63.3° |
| C1 | N2 | C5 | H14 | 67.2° | 56.8° |
| N2 | C3 | C4 | H9 | 120.5° | 120.0° |
| N2 | C3 | C4 | H10 | 120.5° | 120.0° |
| C3 | N2 | C1 | H6 | 54.9° | 176.2° |
| C3 | N2 | C1 | H7 | 65.2° | 56.2° |
| C3 | N2 | C1 | H8 | 174.9° | 63.8° |
| N2 | C3 | H9 | H10 | 118.6° | 120.1° |
| N2 | C3 | C4 | H11 | 64.4° | 178.3° |
| N2 | C3 | C4 | H12 | 175.6° | 61.6° |
| C3 | N2 | C5 | H13 | 68.8° | 60.6° |
| C3 | N2 | C5 | H14 | 171.7° | 179.3° |
| C11 | C12 | H2 | H3 | 120.0° | 120.0° |
| C11 | C12 | H2 | H4 | 120.0° | 120.0° |
| C11 | C12 | H3 | H4 | 120.0° | 120.0° |
| C12 | C11 | C13 | H5 | 0.4° | 0.0° |
| C27 | C23 | O24 | H21 | 123.0° | 118.9° |
| C23 | C27 | C26 | H26 | 119.4° | 118.7° |
| C23 | C27 | C26 | H27 | 119.4° | 118.6° |
| C23 | C27 | C26 | C25 | 14.5° | 0.0° |
| C27 | C23 | O24 | C25 | 29.2° | 40.5° |
| C27 | C23 | C22 | H19 | 32.9° | 55.0° |
| C27 | C23 | C22 | H20 | 85.5° | 65.0° |
| C23 | C27 | C26 | H24 | 105.0° | 118.6° |
| C23 | C27 | C26 | H25 | 134.0° | 118.7° |
| C23 | C27 | H26 | H27 | 121.8° | 122.7° |
| O24 | C23 | C27 | C26 | 24.4° | 24.0° |
| C23 | O24 | C25 | C26 | 17.9° | 40.5° |
| O24 | C23 | C22 | H19 | 83.1° | 170.4° |
| O24 | C23 | C22 | H20 | 158.4° | 50.4° |
| C23 | O24 | C25 | H22 | 101.7° | 159.3° |
| C23 | O24 | C25 | H23 | 137.4° | 78.4° |
| O24 | C23 | C27 | H26 | 143.8° | 94.7° |
| O24 | C23 | C27 | H27 | 95.0° | 142.6° |
| C27 | C26 | C25 | H24 | 119.5° | 118.6° |
| C27 | C26 | C25 | H25 | 119.4° | 118.8° |
| C27 | C26 | C25 | O24 | 4.4° | 24.0° |
| C26 | C27 | C23 | H21 | 144.3° | 95.0° |
| C27 | C26 | C25 | H22 | 115.1° | 142.8° |
| C27 | C26 | C25 | H23 | 124.0° | 94.9° |
| C27 | C26 | H24 | H25 | 121.6° | 122.8° |
| C26 | C27 | H26 | H27 | 121.8° | 122.7° |
| C4 | C3 | H9 | H10 | 118.5° | 120.0° |
| C3 | C4 | H11 | H12 | 120.0° | 120.0° |
| C26 | C25 | O24 | H22 | 119.5° | 118.8° |
| C26 | C25 | O24 | H23 | 119.5° | 118.9° |
| C26 | C25 | H22 | H23 | 121.3° | 122.3° |
| C25 | C26 | H24 | H25 | 121.6° | 122.6° |
| C25 | C26 | C27 | H26 | 133.9° | 118.7° |
| C25 | C26 | C27 | H27 | 104.9° | 118.6° |
| C25 | O24 | C23 | H21 | 152.2° | 78.3° |
| O24 | C25 | H22 | H23 | 121.3° | 122.4° |
| O24 | C25 | C26 | H24 | 123.9° | 142.6° |
| O24 | C25 | C26 | H25 | 115.0° | 94.8° |
| H1 | C10 | C9 | H17 | 1.2° | 0.0° |
| H2 | C12 | H3 | H4 | 120.0° | 120.1° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H9 | C3 | C4 | H11 | 175.1° | 61.7° |
| H9 | C3 | C4 | H12 | 55.1° | 58.4° |
| H10 | C3 | C4 | H11 | 56.1° | 58.3° |
| H10 | C3 | C4 | H12 | 63.9° | 178.4° |
| H13 | C5 | C6 | H15 | 178.3° | 178.5° |
| H13 | C5 | C6 | H16 | 58.4° | 58.4° |
| H14 | C5 | C6 | H15 | 58.9° | 58.4° |
| H14 | C5 | C6 | H16 | 61.0° | 61.7° |
| H19 | C22 | C23 | H21 | 155.9° | 67.2° |
| H20 | C22 | C23 | H21 | 37.4° | 172.8° |
| H21 | C23 | C27 | H26 | 96.3° | 146.3° |
| H21 | C23 | C27 | H27 | 24.9° | 23.7° |
| H22 | C25 | C26 | H24 | 4.4° | 98.5° |
| H22 | C25 | C26 | H25 | 125.5° | 24.0° |
| H23 | C25 | C26 | H24 | 116.5° | 23.7° |
| H23 | C25 | C26 | H25 | 4.6° | 146.2° |
| H24 | C26 | C27 | H26 | 14.4° | 122.7° |
| H24 | C26 | C27 | H27 | 135.6° | 0.0° |
| H25 | C26 | C27 | H26 | 106.6° | 0.0° |
| H25 | C26 | C27 | H27 | 14.6° | 122.6° |
| H28 | C33 | C34 | H29 | 0.3° | 0.1° |
| H29 | C34 | C35 | H30 | 0.2° | 0.0° |
| H30 | C35 | C36 | H31 | 0.4° | 0.0° |
