TFJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.48Å | |
| C5 | N1 | sing | 1.47Å | 1.48Å | |
| C10 | O2 | sing | 1.43Å | 1.42Å | |
| C31 | N2 | sing | 1.47Å | 1.46Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.51Å | 1.56Å | |
| O2 | C7 | sing | 1.43Å | 1.40Å | |
| O7 | C28 | sing | 1.34Å | 1.43Å | |
| O7 | C24 | sing | 1.45Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C21 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.56Å | |
| C3 | C2 | doub | 1.32Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C28 | O8 | doub | 1.21Å | 1.18Å | |
| N1 | C1 | sing | 1.35Å | 1.44Å | |
| N1 | C2 | sing | 1.39Å | 1.47Å | |
| O1 | C1 | doub | 1.21Å | 1.18Å | |
| C21 | O6 | sing | 1.43Å | 1.39Å | |
| C9 | C4 | sing | 1.53Å | 1.50Å | |
| C13 | C19 | sing | 1.53Å | 1.58Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | C4 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| O4 | C14 | doub | 1.21Å | 1.18Å | |
| C12 | C8 | sing | 1.53Å | 1.56Å | |
| C12 | O3 | sing | 1.45Å | 1.41Å | |
| C8 | C11 | sing | 1.53Å | 1.51Å | |
| O6 | C32 | sing | 1.43Å | 1.41Å | |
| C14 | O3 | sing | 1.34Å | 1.41Å | |
| C14 | C15 | sing | 1.51Å | 1.58Å | |
| C16 | C15 | sing | 1.55Å | 1.45Å | |
| C16 | C17 | sing | 1.55Å | 1.48Å | |
| C15 | O5 | sing | 1.44Å | 1.42Å | |
| C17 | C18 | sing | 1.54Å | 1.60Å | |
| O5 | C18 | sing | 1.43Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H55 | sing | 1.01Å | 1.00Å | |
| N2 | H60 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | N1 | 106.9° | 109.5° |
| C6 | C5 | H6 | 110.1° | 109.4° |
| C6 | C5 | H5 | 110.1° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.4° | 109.5° |
| C5 | C6 | H9 | 109.4° | 109.5° |
| C27 | C25 | C24 | 104.1° | 109.5° |
| C27 | C25 | C26 | 110.3° | 109.5° |
| C27 | C25 | H41 | 110.5° | 109.5° |
| C25 | C27 | H45 | 109.5° | 109.5° |
| C25 | C27 | H47 | 109.5° | 109.4° |
| C25 | C27 | H46 | 109.4° | 109.5° |
| C22 | C20 | C21 | 108.2° | 109.5° |
| C22 | C20 | C19 | 108.9° | 109.5° |
| C22 | C20 | H33 | 109.9° | 109.5° |
| C20 | C22 | H36 | 109.5° | 109.4° |
| C20 | C22 | H35 | 109.5° | 109.5° |
| C20 | C22 | H37 | 109.4° | 109.4° |
| C5 | N1 | C1 | 122.0° | 120.0° |
| C5 | N1 | C2 | 121.6° | 120.0° |
| N1 | C5 | H6 | 110.1° | 109.5° |
| N1 | C5 | H5 | 110.1° | 109.5° |
| C10 | O2 | C7 | 116.7° | 114.0° |
| O2 | C10 | H17 | 109.5° | 109.5° |
| O2 | C10 | H15 | 109.5° | 109.5° |
| O2 | C10 | H16 | 109.5° | 109.4° |
| N2 | C31 | C30 | 107.8° | 109.5° |
| N2 | C31 | H53 | 109.9° | 109.5° |
| N2 | C31 | H52 | 109.9° | 109.5° |
| C31 | N2 | H55 | 109.5° | 111.1° |
| C31 | N2 | H60 | 109.5° | 111.0° |
| C31 | C30 | C29 | 109.7° | 109.5° |
| C31 | C30 | H50 | 109.4° | 109.5° |
| C31 | C30 | H51 | 109.4° | 109.5° |
| C30 | C31 | H53 | 109.9° | 109.5° |
| C30 | C31 | H52 | 109.9° | 109.5° |
| C30 | C29 | C28 | 112.1° | 109.5° |
| C30 | C29 | H49 | 108.8° | 109.5° |
| C30 | C29 | H48 | 108.8° | 109.4° |
| C29 | C30 | H50 | 109.4° | 109.4° |
| C29 | C30 | H51 | 109.4° | 109.4° |
| C29 | C28 | O7 | 118.5° | 120.0° |
| C29 | C28 | O8 | 120.8° | 120.0° |
| C28 | C29 | H49 | 108.8° | 109.5° |
| C28 | C29 | H48 | 108.8° | 109.5° |
| O2 | C7 | C4 | 106.7° | 109.4° |
| O2 | C7 | C8 | 112.2° | 109.5° |
| O2 | C7 | H10 | 109.9° | 109.5° |
| C28 | O7 | C24 | 117.5° | 117.0° |
| O7 | C28 | O8 | 120.7° | 120.0° |
| O7 | C24 | C23 | 109.2° | 109.5° |
| O7 | C24 | C25 | 109.5° | 109.5° |
| O7 | C24 | H40 | 110.8° | 109.5° |
| C24 | C23 | C21 | 105.3° | 109.5° |
| C23 | C24 | C25 | 109.1° | 109.5° |
| C23 | C24 | H40 | 109.1° | 109.5° |
| C24 | C23 | H38 | 110.5° | 109.5° |
| C24 | C23 | H39 | 110.5° | 109.5° |
| C23 | C21 | C20 | 111.9° | 109.5° |
| C23 | C21 | O6 | 107.7° | 109.5° |
| C23 | C21 | H34 | 109.1° | 109.5° |
| C21 | C23 | H38 | 110.5° | 109.5° |
| C21 | C23 | H39 | 110.5° | 109.5° |
| C24 | C25 | C26 | 110.8° | 109.4° |
| C25 | C24 | H40 | 109.2° | 109.5° |
| C24 | C25 | H41 | 110.4° | 109.5° |
| C25 | C26 | H44 | 109.5° | 109.5° |
| C25 | C26 | H43 | 109.5° | 109.4° |
| C25 | C26 | H42 | 109.4° | 109.4° |
| C26 | C25 | H41 | 110.6° | 109.5° |
| C4 | C3 | C2 | 110.5° | 120.1° |
| C3 | C4 | C9 | 107.1° | 109.4° |
| C3 | C4 | C7 | 107.8° | 109.5° |
| C3 | C4 | H4 | 109.7° | 109.4° |
| C4 | C3 | H3 | 124.7° | 120.0° |
| C3 | C2 | N1 | 113.6° | 120.1° |
| C3 | C2 | H2 | 123.2° | 119.9° |
| C2 | C3 | H3 | 124.8° | 119.9° |
| C21 | C20 | C19 | 111.6° | 109.5° |
| C20 | C21 | O6 | 107.9° | 109.5° |
| C21 | C20 | H33 | 109.1° | 109.5° |
| C20 | C21 | H34 | 109.0° | 109.5° |
| C20 | C19 | C13 | 110.2° | 109.5° |
| C19 | C20 | H33 | 109.1° | 109.5° |
| C20 | C19 | H32 | 109.3° | 109.5° |
| C20 | C19 | H31 | 109.3° | 109.5° |
| C1 | N1 | C2 | 116.4° | 120.0° |
| N1 | C1 | O1 | 118.2° | 120.0° |
| N1 | C1 | H1 | 120.9° | 119.9° |
| N1 | C2 | H2 | 123.2° | 120.0° |
| O1 | C1 | H1 | 120.9° | 120.1° |
| C21 | O6 | C32 | 116.4° | 114.0° |
| O6 | C21 | H34 | 111.2° | 109.5° |
| C9 | C4 | C7 | 111.8° | 109.5° |
| C9 | C4 | H4 | 110.4° | 109.5° |
| C4 | C9 | H12 | 109.5° | 109.5° |
| C4 | C9 | H14 | 109.5° | 109.5° |
| C4 | C9 | H13 | 109.4° | 109.5° |
| C19 | C13 | C12 | 110.9° | 109.4° |
| C19 | C13 | H23 | 109.1° | 109.4° |
| C19 | C13 | H22 | 109.1° | 109.5° |
| C13 | C19 | H32 | 109.3° | 109.5° |
| C13 | C19 | H31 | 109.3° | 109.5° |
| C13 | C12 | C8 | 111.5° | 109.4° |
| C13 | C12 | O3 | 107.2° | 109.4° |
| C12 | C13 | H23 | 109.1° | 109.5° |
| C12 | C13 | H22 | 109.1° | 109.5° |
| C13 | C12 | H21 | 108.9° | 109.5° |
| C4 | C7 | C8 | 112.0° | 109.4° |
| C7 | C4 | H4 | 109.9° | 109.5° |
| C4 | C7 | H10 | 108.0° | 109.5° |
| C7 | C8 | C12 | 105.4° | 109.5° |
| C7 | C8 | C11 | 113.5° | 109.5° |
| C8 | C7 | H10 | 108.0° | 109.5° |
| C7 | C8 | H11 | 109.0° | 109.5° |
| O4 | C14 | O3 | 119.8° | 120.0° |
| O4 | C14 | C15 | 124.1° | 120.0° |
| C8 | C12 | O3 | 110.3° | 109.5° |
| C12 | C8 | C11 | 110.6° | 109.4° |
| C12 | C8 | H11 | 108.8° | 109.5° |
| C8 | C12 | H21 | 108.5° | 109.5° |
| C12 | O3 | C14 | 118.9° | 117.0° |
| O3 | C12 | H21 | 110.5° | 109.5° |
| C11 | C8 | H11 | 109.4° | 109.4° |
| C8 | C11 | H19 | 109.5° | 109.5° |
| C8 | C11 | H20 | 109.4° | 109.4° |
| C8 | C11 | H18 | 109.5° | 109.5° |
| O6 | C32 | H56 | 109.5° | 109.5° |
| O6 | C32 | H58 | 109.4° | 109.4° |
| O6 | C32 | H57 | 109.5° | 109.5° |
| O3 | C14 | C15 | 116.1° | 120.0° |
| C14 | C15 | C16 | 112.6° | 110.4° |
| C14 | C15 | O5 | 109.7° | 110.3° |
| C14 | C15 | H24 | 108.2° | 110.3° |
| C15 | C16 | C17 | 115.3° | 100.9° |
| C16 | C15 | O5 | 106.3° | 105.1° |
| C16 | C15 | H24 | 109.8° | 110.3° |
| C15 | C16 | H26 | 108.0° | 111.1° |
| C15 | C16 | H25 | 108.0° | 111.1° |
| C16 | C17 | C18 | 101.2° | 102.3° |
| C16 | C17 | H28 | 111.5° | 110.8° |
| C16 | C17 | H27 | 111.5° | 111.0° |
| C17 | C16 | H26 | 108.0° | 111.2° |
| C17 | C16 | H25 | 108.0° | 111.1° |
| C15 | O5 | C18 | 111.6° | 110.0° |
| O5 | C15 | H24 | 110.3° | 110.3° |
| C17 | C18 | O5 | 105.5° | 107.6° |
| C18 | C17 | H28 | 111.5° | 110.8° |
| C18 | C17 | H27 | 111.5° | 110.9° |
| C17 | C18 | H30 | 110.4° | 109.8° |
| C17 | C18 | H29 | 110.4° | 109.8° |
| O5 | C18 | H30 | 110.5° | 109.9° |
| O5 | C18 | H29 | 110.5° | 109.9° |
| H6 | C5 | H5 | 109.5° | 109.5° |
| H8 | C6 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.4° |
| H17 | C10 | H15 | 109.5° | 109.5° |
| H17 | C10 | H16 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H23 | C13 | H22 | 109.5° | 109.5° |
| H28 | C17 | H27 | 109.5° | 110.7° |
| H36 | C22 | H35 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.4° | 109.5° |
| H35 | C22 | H37 | 109.5° | 109.5° |
| H44 | C26 | H43 | 109.5° | 109.5° |
| H44 | C26 | H42 | 109.4° | 109.5° |
| H43 | C26 | H42 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.4° |
| H19 | C11 | H18 | 109.5° | 109.6° |
| H20 | C11 | H18 | 109.5° | 109.4° |
| H26 | C16 | H25 | 109.5° | 111.0° |
| H30 | C18 | H29 | 109.5° | 109.9° |
| H32 | C19 | H31 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H45 | C27 | H47 | 109.4° | 109.5° |
| H45 | C27 | H46 | 109.5° | 109.5° |
| H47 | C27 | H46 | 109.5° | 109.4° |
| H49 | C29 | H48 | 109.5° | 109.4° |
| H50 | C30 | H51 | 109.5° | 109.5° |
| H53 | C31 | H52 | 109.5° | 109.4° |
| H56 | C32 | H58 | 109.5° | 109.5° |
| H56 | C32 | H57 | 109.4° | 109.5° |
| H58 | C32 | H57 | 109.5° | 109.5° |
| H12 | C9 | H14 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H14 | C9 | H13 | 109.5° | 109.4° |
| H55 | N2 | H60 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | N1 | H6 | 119.6° | 120.0° |
| C6 | C5 | N1 | H5 | 119.6° | 120.0° |
| C6 | C5 | N1 | C1 | 92.3° | 92.9° |
| C6 | C5 | N1 | C2 | 88.3° | 87.5° |
| C6 | C5 | H6 | H5 | 121.2° | 120.0° |
| C5 | C6 | H8 | H7 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C27 | C25 | C24 | O7 | 50.7° | 65.0° |
| C27 | C25 | C24 | C23 | 68.7° | 175.0° |
| C27 | C25 | C24 | C26 | 118.5° | 120.0° |
| C27 | C25 | C24 | H41 | 118.6° | 120.0° |
| C27 | C25 | C26 | H41 | 122.5° | 120.0° |
| C27 | C25 | C24 | H40 | 172.2° | 55.0° |
| C27 | C25 | C26 | H44 | 180.0° | 60.0° |
| C27 | C25 | C26 | H43 | 60.0° | 60.0° |
| C27 | C25 | C26 | H42 | 60.0° | 180.0° |
| C25 | C27 | H45 | H47 | 120.0° | 120.0° |
| C25 | C27 | H45 | H46 | 120.0° | 120.0° |
| C25 | C27 | H47 | H46 | 120.0° | 120.0° |
| C22 | C20 | C21 | C23 | 65.9° | 65.3° |
| C22 | C20 | C21 | C19 | 119.8° | 120.0° |
| C22 | C20 | C21 | H33 | 119.5° | 120.0° |
| C22 | C20 | C19 | H33 | 119.9° | 120.0° |
| C22 | C20 | C21 | O6 | 175.8° | 174.8° |
| C22 | C20 | C19 | C13 | 76.2° | 65.2° |
| C22 | C20 | C21 | H34 | 54.9° | 54.8° |
| C20 | C22 | H36 | H35 | 120.0° | 120.0° |
| C20 | C22 | H36 | H37 | 120.0° | 120.0° |
| C20 | C22 | H35 | H37 | 120.0° | 120.0° |
| C22 | C20 | C19 | H32 | 43.9° | 174.9° |
| C22 | C20 | C19 | H31 | 163.6° | 54.9° |
| C5 | N1 | C2 | C3 | 10.9° | 0.2° |
| C5 | N1 | C1 | C2 | 179.4° | 179.7° |
| C5 | N1 | C1 | O1 | 0.4° | 174.4° |
| N1 | C5 | H6 | H5 | 121.2° | 120.0° |
| N1 | C5 | C6 | H8 | 180.0° | 174.4° |
| N1 | C5 | C6 | H7 | 60.0° | 54.4° |
| N1 | C5 | C6 | H9 | 60.0° | 65.6° |
| C5 | N1 | C1 | H1 | 179.6° | 5.7° |
| C5 | N1 | C2 | H2 | 169.1° | 179.8° |
| C10 | O2 | C7 | C4 | 105.5° | 96.6° |
| C10 | O2 | C7 | C8 | 131.6° | 143.4° |
| C10 | O2 | C7 | H10 | 11.4° | 23.4° |
| O2 | C10 | H17 | H15 | 120.0° | 120.0° |
| O2 | C10 | H17 | H16 | 120.0° | 120.0° |
| O2 | C10 | H15 | H16 | 120.0° | 120.0° |
| N2 | C31 | C30 | H53 | 119.7° | 120.0° |
| N2 | C31 | C30 | H52 | 119.8° | 120.0° |
| N2 | C31 | C30 | C29 | 161.2° | 180.0° |
| N2 | C31 | C30 | H50 | 41.1° | 60.0° |
| N2 | C31 | C30 | H51 | 78.8° | 60.0° |
| N2 | C31 | H53 | H52 | 120.8° | 120.0° |
| C31 | N2 | H55 | H60 | 120.0° | 124.0° |
| C31 | C30 | C29 | H50 | 120.0° | 120.0° |
| C31 | C30 | C29 | H51 | 120.0° | 120.0° |
| C31 | C30 | C29 | C28 | 172.1° | 180.0° |
| C31 | C30 | C29 | H49 | 67.5° | 60.0° |
| C31 | C30 | C29 | H48 | 51.7° | 60.0° |
| C31 | C30 | H50 | H51 | 119.9° | 120.0° |
| C30 | C31 | H53 | H52 | 120.8° | 120.0° |
| C30 | C31 | N2 | H55 | 180.0° | 56.0° |
| C30 | C31 | N2 | H60 | 60.0° | 180.0° |
| C30 | C29 | C28 | H49 | 120.4° | 120.0° |
| C30 | C29 | C28 | H48 | 120.4° | 120.0° |
| C30 | C29 | C28 | O7 | 159.7° | 180.0° |
| C30 | C29 | C28 | O8 | 20.7° | 0.0° |
| C30 | C29 | H49 | H48 | 118.8° | 119.9° |
| C29 | C30 | H50 | H51 | 119.9° | 119.9° |
| C29 | C30 | C31 | H53 | 79.1° | 60.0° |
| C29 | C30 | C31 | H52 | 41.4° | 60.0° |
| C29 | C28 | O7 | O8 | 179.5° | 179.9° |
| C29 | C28 | O7 | C24 | 174.5° | 180.0° |
| C28 | C29 | H49 | H48 | 118.8° | 120.1° |
| C28 | C29 | C30 | H50 | 52.1° | 60.0° |
| C28 | C29 | C30 | H51 | 67.9° | 59.9° |
| O2 | C7 | C4 | C3 | 59.7° | 64.6° |
| O2 | C7 | C4 | C9 | 57.8° | 175.4° |
| O2 | C7 | C4 | C8 | 123.1° | 120.0° |
| O2 | C7 | C4 | H10 | 118.1° | 120.0° |
| O2 | C7 | C8 | H10 | 121.3° | 120.0° |
| O2 | C7 | C8 | C12 | 63.1° | 59.9° |
| O2 | C7 | C8 | C11 | 175.7° | 60.1° |
| O2 | C7 | C4 | H4 | 179.2° | 55.4° |
| O2 | C7 | C8 | H11 | 53.6° | 179.9° |
| C7 | O2 | C10 | H17 | 180.0° | 53.8° |
| C7 | O2 | C10 | H15 | 60.0° | 66.2° |
| C7 | O2 | C10 | H16 | 60.0° | 173.8° |
| C28 | O7 | C24 | C23 | 117.4° | 150.0° |
| C28 | O7 | C24 | C25 | 123.2° | 90.0° |
| C28 | O7 | C24 | H40 | 2.7° | 30.0° |
| O7 | C28 | C29 | H49 | 79.8° | 60.0° |
| O7 | C28 | C29 | H48 | 39.3° | 60.0° |
| O7 | C24 | C23 | C25 | 119.6° | 120.0° |
| O7 | C24 | C23 | H40 | 121.2° | 120.0° |
| O7 | C24 | C23 | C21 | 70.3° | 65.0° |
| O7 | C24 | C25 | H40 | 121.5° | 120.0° |
| O7 | C24 | C25 | C26 | 67.8° | 55.0° |
| C24 | O7 | C28 | O8 | 5.1° | 0.0° |
| O7 | C24 | C23 | H38 | 49.1° | 175.0° |
| O7 | C24 | C23 | H39 | 170.4° | 55.0° |
| O7 | C24 | C25 | H41 | 169.3° | 175.0° |
| C24 | C23 | C21 | H38 | 119.3° | 120.0° |
| C24 | C23 | C21 | H39 | 119.3° | 120.0° |
| C23 | C24 | C25 | H40 | 119.1° | 120.0° |
| C23 | C24 | C25 | C26 | 172.8° | 65.0° |
| C24 | C23 | C21 | C20 | 176.3° | 175.0° |
| C24 | C23 | C21 | O6 | 65.3° | 65.0° |
| C24 | C23 | C21 | H34 | 55.5° | 55.0° |
| C24 | C23 | H38 | H39 | 121.9° | 120.0° |
| C23 | C24 | C25 | H41 | 49.9° | 55.0° |
| C21 | C23 | C24 | C25 | 170.1° | 175.0° |
| C23 | C21 | C20 | O6 | 118.3° | 120.0° |
| C23 | C21 | C20 | H34 | 120.8° | 120.0° |
| C23 | C21 | C20 | C19 | 54.0° | 54.7° |
| C23 | C21 | O6 | H34 | 119.5° | 120.0° |
| C23 | C21 | O6 | C32 | 163.8° | 146.7° |
| C23 | C21 | C20 | H33 | 174.6° | 174.8° |
| C21 | C23 | C24 | H40 | 50.9° | 55.0° |
| C21 | C23 | H38 | H39 | 121.9° | 120.0° |
| C24 | C25 | C26 | H41 | 122.8° | 120.0° |
| C24 | C25 | C26 | H44 | 65.3° | 60.0° |
| C24 | C25 | C26 | H43 | 174.6° | 180.0° |
| C24 | C25 | C26 | H42 | 54.7° | 60.0° |
| C25 | C24 | C23 | H38 | 70.5° | 55.0° |
| C25 | C24 | C23 | H39 | 50.8° | 65.0° |
| C24 | C25 | C27 | H45 | 180.0° | 60.0° |
| C24 | C25 | C27 | H47 | 60.0° | 60.1° |
| C24 | C25 | C27 | H46 | 60.0° | 180.0° |
| C26 | C25 | C24 | H40 | 53.7° | 175.0° |
| C25 | C26 | H44 | H43 | 120.0° | 120.0° |
| C25 | C26 | H44 | H42 | 120.0° | 120.0° |
| C25 | C26 | H43 | H42 | 120.0° | 119.9° |
| C26 | C25 | C27 | H45 | 61.1° | 60.0° |
| C26 | C25 | C27 | H47 | 178.9° | 180.0° |
| C26 | C25 | C27 | H46 | 58.9° | 60.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | N1 | 172.6° | 173.3° |
| C3 | C4 | C9 | C7 | 117.9° | 120.0° |
| C3 | C4 | C9 | H4 | 119.4° | 119.9° |
| C3 | C4 | C7 | H4 | 119.5° | 120.0° |
| C3 | C4 | C7 | C8 | 63.4° | 175.4° |
| C3 | C4 | C7 | H10 | 177.8° | 55.4° |
| C4 | C3 | C2 | H2 | 7.5° | 6.7° |
| C3 | C4 | C9 | H12 | 180.0° | 53.9° |
| C3 | C4 | C9 | H14 | 60.0° | 66.2° |
| C3 | C4 | C9 | H13 | 60.0° | 173.9° |
| C3 | C2 | N1 | C1 | 169.7° | 179.9° |
| C3 | C2 | N1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 121.0° | 122.2° |
| C2 | C3 | C4 | C7 | 118.6° | 117.8° |
| C2 | C3 | C4 | H4 | 1.1° | 2.3° |
| C21 | C20 | C19 | H33 | 120.7° | 120.1° |
| C20 | C21 | O6 | H34 | 119.5° | 120.0° |
| C21 | C20 | C19 | C13 | 164.3° | 174.8° |
| C20 | C21 | O6 | C32 | 75.2° | 93.3° |
| C21 | C20 | C22 | H36 | 180.0° | 180.0° |
| C21 | C20 | C22 | H35 | 60.0° | 60.0° |
| C21 | C20 | C22 | H37 | 60.0° | 60.0° |
| C21 | C20 | C19 | H32 | 75.5° | 54.9° |
| C21 | C20 | C19 | H31 | 44.2° | 65.1° |
| C20 | C21 | C23 | H38 | 56.9° | 65.0° |
| C20 | C21 | C23 | H39 | 64.4° | 55.0° |
| C19 | C20 | C21 | O6 | 64.4° | 65.3° |
| C20 | C19 | C13 | H32 | 120.1° | 120.0° |
| C20 | C19 | C13 | H31 | 120.1° | 120.0° |
| C20 | C19 | C13 | C12 | 172.3° | 180.0° |
| C20 | C19 | C13 | H23 | 67.4° | 60.1° |
| C20 | C19 | C13 | H22 | 52.1° | 60.0° |
| C19 | C20 | C21 | H34 | 174.7° | 174.7° |
| C19 | C20 | C22 | H36 | 58.4° | 60.0° |
| C19 | C20 | C22 | H35 | 178.5° | 180.0° |
| C19 | C20 | C22 | H37 | 61.5° | 59.9° |
| C20 | C19 | H32 | H31 | 119.6° | 120.0° |
| O8 | C28 | C29 | H49 | 99.7° | 120.1° |
| O8 | C28 | C29 | H48 | 141.1° | 120.0° |
| N1 | C1 | O1 | H1 | 180.0° | 179.9° |
| C1 | N1 | C5 | H6 | 27.3° | 147.2° |
| C1 | N1 | C5 | H5 | 148.1° | 27.1° |
| C1 | N1 | C2 | H2 | 10.3° | 0.1° |
| C2 | N1 | C1 | O1 | 179.0° | 5.3° |
| C2 | N1 | C5 | H6 | 152.1° | 32.5° |
| C2 | N1 | C5 | H5 | 31.3° | 152.5° |
| C2 | N1 | C1 | H1 | 1.0° | 174.6° |
| N1 | C2 | C3 | H3 | 7.4° | 6.8° |
| O6 | C21 | C20 | H33 | 56.3° | 54.8° |
| O6 | C21 | C23 | H38 | 175.3° | 55.0° |
| O6 | C21 | C23 | H39 | 54.0° | 175.0° |
| C21 | O6 | C32 | H56 | 180.0° | 175.1° |
| C21 | O6 | C32 | H58 | 60.0° | 64.9° |
| C21 | O6 | C32 | H57 | 60.0° | 55.1° |
| C9 | C4 | C7 | H4 | 123.0° | 120.0° |
| C9 | C4 | C7 | C8 | 179.1° | 55.4° |
| C9 | C4 | C7 | H10 | 60.3° | 64.6° |
| C9 | C4 | C3 | H3 | 59.0° | 57.8° |
| C4 | C9 | H12 | H14 | 120.0° | 120.0° |
| C4 | C9 | H12 | H13 | 120.0° | 120.0° |
| C4 | C9 | H14 | H13 | 120.0° | 120.0° |
| C19 | C13 | C12 | H23 | 120.2° | 119.9° |
| C19 | C13 | C12 | H22 | 120.2° | 120.0° |
| C19 | C13 | C12 | C8 | 169.5° | 175.0° |
| C19 | C13 | C12 | O3 | 48.7° | 65.0° |
| C19 | C13 | H23 | H22 | 119.3° | 120.0° |
| C13 | C19 | C20 | H33 | 43.7° | 54.8° |
| C19 | C13 | C12 | H21 | 70.9° | 55.0° |
| C13 | C19 | H32 | H31 | 119.7° | 120.1° |
| C13 | C12 | C8 | C7 | 150.7° | 180.0° |
| C13 | C12 | C8 | O3 | 119.0° | 120.0° |
| C13 | C12 | C8 | H21 | 119.9° | 120.0° |
| C13 | C12 | O3 | H21 | 118.5° | 120.0° |
| C13 | C12 | C8 | C11 | 86.3° | 60.0° |
| C13 | C12 | O3 | C14 | 112.6° | 90.0° |
| C13 | C12 | C8 | H11 | 33.9° | 60.0° |
| C12 | C13 | H23 | H22 | 119.4° | 120.1° |
| C12 | C13 | C19 | H32 | 52.2° | 60.0° |
| C12 | C13 | C19 | H31 | 67.6° | 60.0° |
| C4 | C7 | C8 | H10 | 118.8° | 120.0° |
| C4 | C7 | C8 | C12 | 177.1° | 60.1° |
| C4 | C7 | C8 | C11 | 55.9° | 179.9° |
| C4 | C7 | C8 | H11 | 66.3° | 60.0° |
| C7 | C4 | C3 | H3 | 61.5° | 62.2° |
| C7 | C4 | C9 | H12 | 62.1° | 173.9° |
| C7 | C4 | C9 | H14 | 177.9° | 53.8° |
| C7 | C4 | C9 | H13 | 58.0° | 66.1° |
| C7 | C8 | C12 | C11 | 123.0° | 120.0° |
| C7 | C8 | C12 | H11 | 116.7° | 120.1° |
| C7 | C8 | C12 | O3 | 90.4° | 60.0° |
| C7 | C8 | C11 | H11 | 121.9° | 120.0° |
| C8 | C7 | C4 | H4 | 56.1° | 64.6° |
| C7 | C8 | C11 | H19 | 180.0° | 174.2° |
| C7 | C8 | C11 | H20 | 60.0° | 54.3° |
| C7 | C8 | C11 | H18 | 60.0° | 65.6° |
| C7 | C8 | C12 | H21 | 30.8° | 60.0° |
| O4 | C14 | O3 | C12 | 8.6° | 0.0° |
| O4 | C14 | O3 | C15 | 178.3° | 180.0° |
| O4 | C14 | C15 | C16 | 67.7° | 112.2° |
| O4 | C14 | C15 | O5 | 174.1° | 3.5° |
| O4 | C14 | C15 | H24 | 53.8° | 125.7° |
| C8 | C12 | O3 | H21 | 119.9° | 120.0° |
| C12 | C8 | C11 | H11 | 119.8° | 120.0° |
| C8 | C12 | O3 | C14 | 125.8° | 150.0° |
| C12 | C8 | C7 | H10 | 58.3° | 179.9° |
| C8 | C12 | C13 | H23 | 49.3° | 55.0° |
| C8 | C12 | C13 | H22 | 70.3° | 65.0° |
| C12 | C8 | C11 | H19 | 61.7° | 65.8° |
| C12 | C8 | C11 | H20 | 178.3° | 174.3° |
| C12 | C8 | C11 | H18 | 58.3° | 54.3° |
| O3 | C12 | C8 | C11 | 32.7° | 60.0° |
| C12 | O3 | C14 | C15 | 173.1° | 180.0° |
| O3 | C12 | C8 | H11 | 152.9° | 179.9° |
| O3 | C12 | C13 | H23 | 71.5° | 175.0° |
| O3 | C12 | C13 | H22 | 168.9° | 55.0° |
| C11 | C8 | C7 | H10 | 62.9° | 59.9° |
| C8 | C11 | H19 | H20 | 120.0° | 119.9° |
| C8 | C11 | H19 | H18 | 120.0° | 120.1° |
| C8 | C11 | H20 | H18 | 120.0° | 120.0° |
| C11 | C8 | C12 | H21 | 153.8° | 180.0° |
| C32 | O6 | C21 | H34 | 44.3° | 26.7° |
| O6 | C32 | H56 | H58 | 120.0° | 120.0° |
| O6 | C32 | H56 | H57 | 120.0° | 120.0° |
| O6 | C32 | H58 | H57 | 120.0° | 120.0° |
| O3 | C14 | C15 | C16 | 114.0° | 67.8° |
| O3 | C14 | C15 | O5 | 4.1° | 176.5° |
| O3 | C14 | C15 | H24 | 124.5° | 54.3° |
| C14 | O3 | C12 | H21 | 5.9° | 30.0° |
| C14 | C15 | C16 | O5 | 120.1° | 118.9° |
| C14 | C15 | C16 | H24 | 120.6° | 122.1° |
| C14 | C15 | C16 | C17 | 122.0° | 155.4° |
| C14 | C15 | O5 | H24 | 119.0° | 122.1° |
| C14 | C15 | O5 | C18 | 124.8° | 143.4° |
| C14 | C15 | C16 | H26 | 117.2° | 86.7° |
| C14 | C15 | C16 | H25 | 1.1° | 37.5° |
| C15 | C16 | C17 | H26 | 120.9° | 117.9° |
| C15 | C16 | C17 | H25 | 120.8° | 117.9° |
| C16 | C15 | O5 | H24 | 118.9° | 118.9° |
| C15 | C16 | C17 | C18 | 0.2° | 34.1° |
| C16 | C15 | O5 | C18 | 2.8° | 24.5° |
| C15 | C16 | C17 | H28 | 118.4° | 84.1° |
| C15 | C16 | C17 | H27 | 118.9° | 152.4° |
| C15 | C16 | H26 | H25 | 117.3° | 124.2° |
| C17 | C16 | C15 | O5 | 1.9° | 36.4° |
| C16 | C17 | C18 | H28 | 118.7° | 118.2° |
| C16 | C17 | C18 | H27 | 118.7° | 118.4° |
| C16 | C17 | C18 | O5 | 1.4° | 21.3° |
| C17 | C16 | C15 | H24 | 117.5° | 82.5° |
| C16 | C17 | H28 | H27 | 123.8° | 123.6° |
| C17 | C16 | H26 | H25 | 117.4° | 124.2° |
| C16 | C17 | C18 | H30 | 118.0° | 140.9° |
| C16 | C17 | C18 | H29 | 120.8° | 98.2° |
| C15 | O5 | C18 | C17 | 2.7° | 1.7° |
| O5 | C15 | C16 | H26 | 122.7° | 154.4° |
| O5 | C15 | C16 | H25 | 119.0° | 81.5° |
| C15 | O5 | C18 | H30 | 116.7° | 117.8° |
| C15 | O5 | C18 | H29 | 122.0° | 121.2° |
| C17 | C18 | O5 | H30 | 119.4° | 119.5° |
| C17 | C18 | O5 | H29 | 119.3° | 119.5° |
| C18 | C17 | H28 | H27 | 123.8° | 123.5° |
| C18 | C17 | C16 | H26 | 121.1° | 152.0° |
| C18 | C17 | C16 | H25 | 120.6° | 83.8° |
| C17 | C18 | H30 | H29 | 121.8° | 120.8° |
| C18 | O5 | C15 | H24 | 116.2° | 94.5° |
| O5 | C18 | C17 | H28 | 120.0° | 96.9° |
| O5 | C18 | C17 | H27 | 117.3° | 139.7° |
| O5 | C18 | H30 | H29 | 121.9° | 121.0° |
| H4 | C4 | C7 | H10 | 62.6° | 175.4° |
| H4 | C4 | C3 | H3 | 178.9° | 177.8° |
| H4 | C4 | C9 | H12 | 60.6° | 66.0° |
| H4 | C4 | C9 | H14 | 59.4° | 173.9° |
| H4 | C4 | C9 | H13 | 179.4° | 54.0° |
| H6 | C5 | C6 | H8 | 60.4° | 65.7° |
| H6 | C5 | C6 | H7 | 59.6° | 174.3° |
| H6 | C5 | C6 | H9 | 179.6° | 54.4° |
| H5 | C5 | C6 | H8 | 60.4° | 54.3° |
| H5 | C5 | C6 | H7 | 179.6° | 65.7° |
| H5 | C5 | C6 | H9 | 59.6° | 174.4° |
| H8 | C6 | H7 | H9 | 120.0° | 120.0° |
| H10 | C7 | C8 | H11 | 174.9° | 60.0° |
| H11 | C8 | C11 | H19 | 58.1° | 54.2° |
| H11 | C8 | C11 | H20 | 61.9° | 65.7° |
| H11 | C8 | C11 | H18 | 178.1° | 174.3° |
| H11 | C8 | C12 | H21 | 85.9° | 60.0° |
| H17 | C10 | H15 | H16 | 120.0° | 120.0° |
| H23 | C13 | C12 | H21 | 168.9° | 64.9° |
| H23 | C13 | C19 | H32 | 172.5° | 180.0° |
| H23 | C13 | C19 | H31 | 52.7° | 59.9° |
| H22 | C13 | C12 | H21 | 49.4° | 175.0° |
| H22 | C13 | C19 | H32 | 68.0° | 60.0° |
| H22 | C13 | C19 | H31 | 172.2° | 180.0° |
| H24 | C15 | C16 | H26 | 3.4° | 35.4° |
| H24 | C15 | C16 | H25 | 121.7° | 159.6° |
| H28 | C17 | C16 | H26 | 2.4° | 33.8° |
| H28 | C17 | C16 | H25 | 120.8° | 158.0° |
| H28 | C17 | C18 | H30 | 0.7° | 22.7° |
| H28 | C17 | C18 | H29 | 120.6° | 143.6° |
| H27 | C17 | C16 | H26 | 120.3° | 89.7° |
| H27 | C17 | C16 | H25 | 2.0° | 34.5° |
| H27 | C17 | C18 | H30 | 123.4° | 100.7° |
| H27 | C17 | C18 | H29 | 2.1° | 20.2° |
| H33 | C20 | C21 | H34 | 64.6° | 65.2° |
| H33 | C20 | C22 | H36 | 61.0° | 60.0° |
| H33 | C20 | C22 | H35 | 59.1° | 60.0° |
| H33 | C20 | C22 | H37 | 179.1° | 179.9° |
| H33 | C20 | C19 | H32 | 163.8° | 65.2° |
| H33 | C20 | C19 | H31 | 76.4° | 174.8° |
| H34 | C21 | C23 | H38 | 63.8° | 175.0° |
| H34 | C21 | C23 | H39 | 174.9° | 65.0° |
| H36 | C22 | H35 | H37 | 120.0° | 120.0° |
| H40 | C24 | C23 | H38 | 170.2° | 65.0° |
| H40 | C24 | C23 | H39 | 68.5° | 175.0° |
| H40 | C24 | C25 | H41 | 69.2° | 65.0° |
| H44 | C26 | H43 | H42 | 120.0° | 120.1° |
| H44 | C26 | C25 | H41 | 57.5° | 180.0° |
| H43 | C26 | C25 | H41 | 62.6° | 60.0° |
| H42 | C26 | C25 | H41 | 177.4° | 59.9° |
| H19 | C11 | H20 | H18 | 120.0° | 120.1° |
| H2 | C2 | C3 | H3 | 172.6° | 173.3° |
| H41 | C25 | C27 | H45 | 61.5° | 180.0° |
| H41 | C25 | C27 | H47 | 58.5° | 60.0° |
| H41 | C25 | C27 | H46 | 178.5° | 60.0° |
| H45 | C27 | H47 | H46 | 120.0° | 120.0° |
| H49 | C29 | C30 | H50 | 172.5° | 180.0° |
| H49 | C29 | C30 | H51 | 52.5° | 60.1° |
| H48 | C29 | C30 | H50 | 68.3° | 60.0° |
| H48 | C29 | C30 | H51 | 171.7° | 180.0° |
| H50 | C30 | C31 | H53 | 160.8° | 180.0° |
| H50 | C30 | C31 | H52 | 78.7° | 60.0° |
| H51 | C30 | C31 | H53 | 40.9° | 60.0° |
| H51 | C30 | C31 | H52 | 161.4° | 180.0° |
| H53 | C31 | N2 | H55 | 60.3° | 64.0° |
| H53 | C31 | N2 | H60 | 59.7° | 60.0° |
| H52 | C31 | N2 | H55 | 60.3° | 176.0° |
| H52 | C31 | N2 | H60 | 179.7° | 60.0° |
| H56 | C32 | H58 | H57 | 120.0° | 120.0° |
| H12 | C9 | H14 | H13 | 120.0° | 120.0° |
