EC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.61Å | |
| C17 | C18 | sing | 1.53Å | 1.58Å | |
| C17 | C23 | sing | 1.53Å | 1.57Å | |
| C16 | O6 | sing | 1.43Å | 1.45Å | |
| C16 | C11 | sing | 1.53Å | 1.59Å | |
| C18 | C44 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | sing | 1.53Å | 1.58Å | |
| C11 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | O2 | doub | 1.21Å | 1.21Å | |
| C10 | C6 | sing | 1.51Å | 1.51Å | |
| O7 | C9 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | N5 | sing | 1.35Å | 1.35Å | |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| C25 | N5 | sing | 1.46Å | 1.47Å | |
| O3 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C2 | sing | 1.51Å | 1.53Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| C26 | C3 | sing | 1.53Å | 1.56Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C1 | sing | 1.35Å | 1.35Å | |
| O1 | C1 | doub | 1.21Å | 1.21Å | |
| C1 | C27 | sing | 1.51Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å | |
| C11 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C13 | H37 | sing | 1.09Å | 1.10Å | |
| C15 | H38 | sing | 1.09Å | 1.10Å | |
| C15 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C14 | H42 | sing | 1.09Å | 1.10Å | |
| C14 | H43 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| O6 | H45 | sing | 0.97Å | 0.95Å | |
| C17 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H48 | sing | 1.09Å | 1.10Å | |
| C23 | H49 | sing | 1.09Å | 1.10Å | |
| C18 | H50 | sing | 1.09Å | 1.10Å | |
| C18 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | H52 | sing | 1.09Å | 1.10Å | |
| C44 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 116.5° | 109.5° |
| C16 | C17 | C23 | 112.9° | 109.4° |
| C17 | C16 | O6 | 108.1° | 109.5° |
| C17 | C16 | C11 | 120.6° | 109.4° |
| C17 | C16 | H44 | 106.2° | 109.4° |
| C16 | C17 | H46 | 107.3° | 109.4° |
| C18 | C17 | C23 | 104.6° | 109.5° |
| C17 | C18 | C44 | 120.9° | 109.5° |
| C18 | C17 | H46 | 107.6° | 109.5° |
| C17 | C18 | H50 | 106.6° | 109.5° |
| C17 | C18 | H51 | 106.5° | 109.4° |
| C23 | C17 | H46 | 107.7° | 109.5° |
| C17 | C23 | H47 | 109.5° | 109.5° |
| C17 | C23 | H48 | 109.5° | 109.4° |
| C17 | C23 | H49 | 109.5° | 109.5° |
| O6 | C16 | C11 | 107.1° | 109.5° |
| O6 | C16 | H44 | 108.0° | 109.5° |
| C16 | O6 | H45 | 109.5° | 114.0° |
| C16 | C11 | C12 | 114.9° | 109.5° |
| C16 | C11 | N3 | 111.2° | 109.5° |
| C16 | C11 | H34 | 107.9° | 109.5° |
| C11 | C16 | H44 | 106.4° | 109.5° |
| C44 | C18 | H50 | 106.5° | 109.5° |
| C44 | C18 | H51 | 106.5° | 109.5° |
| C18 | C44 | H52 | 109.5° | 109.5° |
| C18 | C44 | H53 | 109.5° | 109.5° |
| C18 | C44 | H54 | 109.5° | 109.4° |
| C12 | C13 | C14 | 109.7° | 109.5° |
| C12 | C13 | C15 | 114.0° | 109.5° |
| C13 | C12 | C11 | 120.0° | 109.5° |
| C13 | C12 | H35 | 106.8° | 109.5° |
| C13 | C12 | H36 | 106.8° | 109.4° |
| C12 | C13 | H37 | 108.2° | 109.4° |
| C14 | C13 | C15 | 108.3° | 109.5° |
| C14 | C13 | H37 | 108.3° | 109.5° |
| C13 | C14 | H41 | 109.5° | 109.5° |
| C13 | C14 | H42 | 109.5° | 109.5° |
| C13 | C14 | H43 | 109.5° | 109.5° |
| C15 | C13 | H37 | 108.3° | 109.4° |
| C13 | C15 | H38 | 109.5° | 109.4° |
| C13 | C15 | H39 | 109.4° | 109.4° |
| C13 | C15 | H40 | 109.5° | 109.5° |
| C12 | C11 | N3 | 105.5° | 109.4° |
| C12 | C11 | H34 | 108.0° | 109.5° |
| C11 | C12 | H35 | 106.8° | 109.5° |
| C11 | C12 | H36 | 106.8° | 109.5° |
| C11 | N3 | C10 | 119.1° | 120.0° |
| C11 | N3 | H33 | 120.4° | 120.0° |
| N3 | C11 | H34 | 109.3° | 109.5° |
| N3 | C10 | O2 | 121.2° | 120.0° |
| N3 | C10 | C6 | 114.7° | 120.0° |
| C10 | N3 | H33 | 120.4° | 120.0° |
| O2 | C10 | C6 | 116.3° | 120.0° |
| C10 | C6 | C7 | 111.5° | 109.5° |
| C10 | C6 | N2 | 109.2° | 109.5° |
| C10 | C6 | H22 | 108.1° | 109.5° |
| O7 | C9 | C8 | 113.3° | 120.0° |
| O7 | C9 | N5 | 118.9° | 120.0° |
| C7 | C6 | N2 | 111.7° | 109.4° |
| C6 | C7 | C8 | 113.5° | 109.5° |
| C7 | C6 | H22 | 107.5° | 109.5° |
| C6 | C7 | H23 | 108.4° | 109.5° |
| C6 | C7 | H24 | 108.4° | 109.5° |
| C6 | N2 | C5 | 120.6° | 120.0° |
| C6 | N2 | H21 | 119.7° | 120.0° |
| N2 | C6 | H22 | 108.7° | 109.5° |
| C7 | C8 | C9 | 113.9° | 109.5° |
| C8 | C7 | H23 | 108.4° | 109.4° |
| C8 | C7 | H24 | 108.4° | 109.5° |
| C7 | C8 | H25 | 108.4° | 109.5° |
| C7 | C8 | H26 | 108.4° | 109.5° |
| C8 | C9 | N5 | 120.0° | 120.0° |
| C9 | C8 | H25 | 108.3° | 109.4° |
| C9 | C8 | H26 | 108.3° | 109.5° |
| C9 | N5 | C25 | 116.2° | 120.0° |
| C9 | N5 | C24 | 118.5° | 120.0° |
| N2 | C5 | O3 | 120.8° | 120.0° |
| N2 | C5 | C2 | 120.2° | 120.0° |
| C5 | N2 | H21 | 119.7° | 120.0° |
| C25 | N5 | C24 | 117.5° | 120.0° |
| N5 | C25 | H27 | 109.5° | 109.5° |
| N5 | C25 | H28 | 109.5° | 109.5° |
| N5 | C25 | H29 | 109.4° | 109.5° |
| O3 | C5 | C2 | 112.7° | 119.9° |
| C5 | C2 | C3 | 114.7° | 109.5° |
| C5 | C2 | N1 | 108.8° | 109.5° |
| C5 | C2 | H1 | 107.6° | 109.4° |
| N5 | C24 | H30 | 109.5° | 109.5° |
| N5 | C24 | H31 | 109.5° | 109.5° |
| N5 | C24 | H32 | 109.4° | 109.5° |
| C26 | C3 | C4 | 108.8° | 109.4° |
| C26 | C3 | C2 | 116.0° | 109.5° |
| C26 | C3 | H2 | 106.4° | 109.5° |
| C3 | C26 | H3 | 109.5° | 109.5° |
| C3 | C26 | H4 | 109.4° | 109.4° |
| C3 | C26 | H5 | 109.5° | 109.4° |
| C4 | C3 | C2 | 112.2° | 109.5° |
| C4 | C3 | H2 | 106.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C2 | N1 | 110.1° | 109.5° |
| C3 | C2 | H1 | 107.1° | 109.5° |
| C2 | C3 | H2 | 106.2° | 109.5° |
| C2 | N1 | C1 | 118.1° | 120.0° |
| N1 | C2 | H1 | 108.3° | 109.4° |
| C2 | N1 | H9 | 121.0° | 120.0° |
| N1 | C1 | O1 | 121.8° | 120.0° |
| N1 | C1 | C27 | 113.4° | 119.9° |
| C1 | N1 | H9 | 120.9° | 120.0° |
| O1 | C1 | C27 | 116.3° | 120.0° |
| C1 | C27 | C28 | 112.5° | 109.5° |
| C1 | C27 | H10 | 108.7° | 109.5° |
| C1 | C27 | H11 | 108.7° | 109.5° |
| C27 | C28 | C29 | 113.1° | 109.5° |
| C28 | C27 | H10 | 108.7° | 109.4° |
| C28 | C27 | H11 | 108.7° | 109.5° |
| C27 | C28 | H12 | 108.6° | 109.4° |
| C27 | C28 | H13 | 108.5° | 109.5° |
| C28 | C29 | C30 | 110.9° | 109.5° |
| C29 | C28 | H12 | 108.5° | 109.5° |
| C29 | C28 | H13 | 108.5° | 109.5° |
| C28 | C29 | H14 | 109.1° | 109.5° |
| C28 | C29 | H15 | 109.1° | 109.4° |
| C29 | C30 | C31 | 112.8° | 109.5° |
| C30 | C29 | H14 | 109.1° | 109.5° |
| C30 | C29 | H15 | 109.1° | 109.4° |
| C29 | C30 | H16 | 108.6° | 109.5° |
| C29 | C30 | H17 | 108.6° | 109.4° |
| C31 | C30 | H16 | 108.6° | 109.5° |
| C31 | C30 | H17 | 108.6° | 109.4° |
| C30 | C31 | H18 | 109.5° | 109.5° |
| C30 | C31 | H19 | 109.5° | 109.5° |
| C30 | C31 | H20 | 109.5° | 109.5° |
| H3 | C26 | H4 | 109.5° | 109.6° |
| H3 | C26 | H5 | 109.4° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H12 | C28 | H13 | 109.5° | 109.4° |
| H14 | C29 | H15 | 109.5° | 109.5° |
| H16 | C30 | H17 | 109.4° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.4° |
| H18 | C31 | H20 | 109.5° | 109.5° |
| H19 | C31 | H20 | 109.4° | 109.4° |
| H23 | C7 | H24 | 109.5° | 109.4° |
| H25 | C8 | H26 | 109.5° | 109.4° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H29 | 109.5° | 109.4° |
| H28 | C25 | H29 | 109.5° | 109.4° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H30 | C24 | H32 | 109.4° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.4° |
| H35 | C12 | H36 | 109.4° | 109.5° |
| H38 | C15 | H39 | 109.5° | 109.5° |
| H38 | C15 | H40 | 109.5° | 109.5° |
| H39 | C15 | H40 | 109.5° | 109.5° |
| H41 | C14 | H42 | 109.4° | 109.4° |
| H41 | C14 | H43 | 109.5° | 109.5° |
| H42 | C14 | H43 | 109.5° | 109.4° |
| H47 | C23 | H48 | 109.4° | 109.4° |
| H47 | C23 | H49 | 109.5° | 109.4° |
| H48 | C23 | H49 | 109.5° | 109.5° |
| H50 | C18 | H51 | 109.5° | 109.4° |
| H52 | C44 | H53 | 109.5° | 109.5° |
| H52 | C44 | H54 | 109.5° | 109.5° |
| H53 | C44 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | C23 | 125.3° | 120.0° |
| C16 | C17 | C18 | H46 | 120.4° | 120.0° |
| C16 | C17 | C23 | H46 | 118.2° | 119.9° |
| C17 | C16 | O6 | C11 | 131.3° | 120.0° |
| C17 | C16 | O6 | H44 | 114.5° | 120.0° |
| C17 | C16 | C11 | H44 | 120.7° | 119.9° |
| C16 | C17 | C18 | C44 | 64.8° | 175.0° |
| C17 | C16 | C11 | C12 | 167.5° | 176.6° |
| C17 | C16 | C11 | N3 | 72.8° | 56.7° |
| C17 | C16 | C11 | H34 | 47.0° | 63.3° |
| C17 | C16 | O6 | H45 | 180.0° | 60.0° |
| C16 | C17 | C23 | H47 | 180.0° | 62.8° |
| C16 | C17 | C23 | H48 | 60.0° | 177.3° |
| C16 | C17 | C23 | H49 | 60.0° | 57.2° |
| C16 | C17 | C18 | H50 | 173.6° | 55.0° |
| C16 | C17 | C18 | H51 | 56.8° | 65.0° |
| C18 | C17 | C23 | H46 | 114.2° | 120.1° |
| C18 | C17 | C16 | O6 | 22.2° | 176.3° |
| C18 | C17 | C16 | C11 | 101.3° | 63.7° |
| C17 | C18 | C44 | H50 | 121.6° | 120.1° |
| C17 | C18 | C44 | H51 | 121.6° | 120.0° |
| C18 | C17 | C16 | H44 | 137.9° | 56.3° |
| C18 | C17 | C23 | H47 | 52.4° | 177.2° |
| C18 | C17 | C23 | H48 | 67.6° | 57.3° |
| C18 | C17 | C23 | H49 | 172.4° | 62.8° |
| C17 | C18 | H50 | H51 | 114.9° | 120.0° |
| C17 | C18 | C44 | H52 | 180.0° | 180.0° |
| C17 | C18 | C44 | H53 | 60.0° | 60.0° |
| C17 | C18 | C44 | H54 | 60.0° | 60.0° |
| C23 | C17 | C16 | O6 | 143.2° | 56.3° |
| C23 | C17 | C16 | C11 | 19.7° | 176.3° |
| C23 | C17 | C18 | C44 | 60.5° | 65.0° |
| C23 | C17 | C16 | H44 | 101.1° | 63.8° |
| C17 | C23 | H47 | H48 | 120.0° | 120.0° |
| C17 | C23 | H47 | H49 | 120.0° | 120.0° |
| C17 | C23 | H48 | H49 | 120.0° | 120.1° |
| C23 | C17 | C18 | H50 | 61.1° | 175.0° |
| C23 | C17 | C18 | H51 | 177.9° | 55.0° |
| O6 | C16 | C11 | H44 | 115.3° | 120.1° |
| O6 | C16 | C11 | C12 | 68.5° | 56.6° |
| O6 | C16 | C11 | N3 | 51.2° | 63.3° |
| O6 | C16 | C11 | H34 | 171.0° | 176.6° |
| O6 | C16 | C17 | H46 | 98.3° | 63.7° |
| C16 | C11 | C12 | C13 | 116.0° | 175.0° |
| C16 | C11 | C12 | N3 | 122.8° | 120.0° |
| C16 | C11 | C12 | H34 | 120.4° | 120.0° |
| C16 | C11 | N3 | H34 | 119.0° | 120.0° |
| C16 | C11 | N3 | C10 | 129.9° | 127.7° |
| C16 | C11 | N3 | H33 | 50.1° | 52.4° |
| C16 | C11 | C12 | H35 | 5.5° | 65.0° |
| C16 | C11 | C12 | H36 | 122.5° | 55.0° |
| C11 | C16 | O6 | H45 | 48.7° | 59.9° |
| C11 | C16 | C17 | H46 | 138.2° | 56.3° |
| C44 | C18 | C17 | H46 | 174.8° | 55.1° |
| C44 | C18 | H50 | H51 | 114.8° | 120.0° |
| C18 | C44 | H52 | H53 | 120.0° | 120.0° |
| C18 | C44 | H52 | H54 | 120.0° | 120.0° |
| C18 | C44 | H53 | H54 | 120.0° | 119.9° |
| C12 | C13 | C14 | C15 | 125.0° | 120.0° |
| C12 | C13 | C14 | H37 | 117.9° | 120.0° |
| C12 | C13 | C15 | H37 | 120.5° | 120.0° |
| C13 | C12 | C11 | H35 | 121.5° | 120.0° |
| C13 | C12 | C11 | H36 | 121.5° | 119.9° |
| C13 | C12 | C11 | N3 | 121.2° | 65.0° |
| C13 | C12 | C11 | H34 | 4.4° | 55.0° |
| C13 | C12 | H35 | H36 | 115.3° | 120.0° |
| C12 | C13 | C15 | H38 | 180.0° | 60.0° |
| C12 | C13 | C15 | H39 | 60.0° | 180.0° |
| C12 | C13 | C15 | H40 | 60.0° | 60.0° |
| C12 | C13 | C14 | H41 | 180.0° | 60.0° |
| C12 | C13 | C14 | H42 | 60.0° | 60.0° |
| C12 | C13 | C14 | H43 | 60.0° | 180.0° |
| C14 | C13 | C15 | H37 | 117.1° | 120.0° |
| C14 | C13 | C12 | C11 | 172.2° | 65.0° |
| C14 | C13 | C12 | H35 | 66.3° | 175.0° |
| C14 | C13 | C12 | H36 | 50.7° | 55.0° |
| C14 | C13 | C15 | H38 | 57.7° | 60.0° |
| C14 | C13 | C15 | H39 | 177.7° | 60.0° |
| C14 | C13 | C15 | H40 | 62.4° | 180.0° |
| C13 | C14 | H41 | H42 | 120.0° | 120.0° |
| C13 | C14 | H41 | H43 | 120.0° | 120.1° |
| C13 | C14 | H42 | H43 | 120.0° | 120.0° |
| C15 | C13 | C12 | C11 | 50.6° | 175.0° |
| C15 | C13 | C12 | H35 | 172.1° | 55.0° |
| C15 | C13 | C12 | H36 | 70.8° | 65.0° |
| C13 | C15 | H38 | H39 | 120.0° | 120.0° |
| C13 | C15 | H38 | H40 | 120.0° | 120.0° |
| C13 | C15 | H39 | H40 | 120.0° | 120.0° |
| C15 | C13 | C14 | H41 | 55.0° | 60.0° |
| C15 | C13 | C14 | H42 | 65.0° | 180.0° |
| C15 | C13 | C14 | H43 | 175.0° | 60.0° |
| C12 | C11 | N3 | H34 | 115.9° | 120.0° |
| C12 | C11 | N3 | C10 | 105.0° | 112.4° |
| C12 | C11 | N3 | H33 | 75.0° | 67.5° |
| C11 | C12 | H35 | H36 | 115.2° | 120.0° |
| C11 | C12 | C13 | H37 | 69.9° | 55.0° |
| C12 | C11 | C16 | H44 | 46.8° | 63.4° |
| C11 | N3 | C10 | H33 | 180.0° | 179.9° |
| C11 | N3 | C10 | O2 | 16.8° | 0.0° |
| C11 | N3 | C10 | C6 | 164.9° | 180.0° |
| N3 | C11 | C12 | H35 | 117.3° | 55.0° |
| N3 | C11 | C12 | H36 | 0.3° | 175.0° |
| N3 | C11 | C16 | H44 | 166.5° | 176.6° |
| N3 | C10 | O2 | C6 | 147.6° | 180.0° |
| N3 | C10 | C6 | C7 | 76.0° | 60.0° |
| N3 | C10 | C6 | N2 | 160.1° | 180.0° |
| N3 | C10 | C6 | H22 | 42.0° | 60.0° |
| C10 | N3 | C11 | H34 | 10.9° | 7.6° |
| O2 | C10 | C6 | C7 | 134.3° | 120.0° |
| O2 | C10 | C6 | N2 | 10.4° | 0.0° |
| O2 | C10 | C6 | H22 | 107.7° | 120.0° |
| O2 | C10 | N3 | H33 | 163.1° | 180.0° |
| C10 | C6 | C7 | N2 | 122.5° | 120.0° |
| C10 | C6 | C7 | H22 | 118.3° | 120.1° |
| C10 | C6 | N2 | H22 | 117.8° | 120.1° |
| C10 | C6 | C7 | C8 | 166.1° | 175.0° |
| C10 | C6 | N2 | C5 | 111.6° | 155.0° |
| C10 | C6 | N2 | H21 | 68.4° | 25.0° |
| C10 | C6 | C7 | H23 | 73.3° | 55.0° |
| C10 | C6 | C7 | H24 | 45.5° | 64.9° |
| C6 | C10 | N3 | H33 | 15.0° | 0.1° |
| O7 | C9 | C8 | C7 | 49.4° | 0.0° |
| O7 | C9 | C8 | N5 | 148.9° | 180.0° |
| O7 | C9 | N5 | C25 | 23.7° | 180.0° |
| O7 | C9 | N5 | C24 | 172.2° | 0.0° |
| O7 | C9 | C8 | H25 | 170.1° | 120.0° |
| O7 | C9 | C8 | H26 | 71.2° | 120.0° |
| C7 | C6 | N2 | H22 | 118.5° | 119.9° |
| C6 | C7 | C8 | H23 | 120.6° | 120.0° |
| C6 | C7 | C8 | H24 | 120.6° | 120.0° |
| C6 | C7 | C8 | C9 | 76.4° | 180.0° |
| C7 | C6 | N2 | C5 | 124.6° | 85.0° |
| C7 | C6 | N2 | H21 | 55.4° | 95.0° |
| C6 | C7 | H23 | H24 | 118.2° | 120.0° |
| C6 | C7 | C8 | H25 | 44.2° | 60.0° |
| C6 | C7 | C8 | H26 | 162.9° | 60.0° |
| N2 | C6 | C7 | C8 | 71.4° | 65.0° |
| C6 | N2 | C5 | H21 | 180.0° | 180.0° |
| C6 | N2 | C5 | O3 | 9.5° | 4.8° |
| C6 | N2 | C5 | C2 | 159.7° | 175.2° |
| N2 | C6 | C7 | H23 | 49.1° | 175.0° |
| N2 | C6 | C7 | H24 | 168.0° | 55.0° |
| C7 | C8 | C9 | H25 | 120.6° | 120.0° |
| C7 | C8 | C9 | H26 | 120.6° | 120.0° |
| C7 | C8 | C9 | N5 | 161.7° | 180.0° |
| C8 | C7 | C6 | H22 | 47.8° | 55.0° |
| C8 | C7 | H23 | H24 | 118.1° | 120.0° |
| C7 | C8 | H25 | H26 | 118.0° | 120.0° |
| C8 | C9 | N5 | C25 | 170.9° | 0.1° |
| C8 | C9 | N5 | C24 | 40.6° | 180.0° |
| C9 | C8 | C7 | H23 | 163.0° | 60.0° |
| C9 | C8 | C7 | H24 | 44.2° | 60.0° |
| C9 | C8 | H25 | H26 | 118.0° | 120.0° |
| C9 | N5 | C25 | C24 | 148.9° | 179.9° |
| N5 | C9 | C8 | H25 | 41.0° | 59.9° |
| N5 | C9 | C8 | H26 | 77.7° | 60.0° |
| C9 | N5 | C25 | H27 | 180.0° | 90.0° |
| C9 | N5 | C25 | H28 | 60.0° | 149.9° |
| C9 | N5 | C25 | H29 | 60.0° | 30.0° |
| C9 | N5 | C24 | H30 | 180.0° | 60.0° |
| C9 | N5 | C24 | H31 | 60.0° | 180.0° |
| C9 | N5 | C24 | H32 | 60.0° | 60.1° |
| N2 | C5 | O3 | C2 | 152.2° | 180.0° |
| N2 | C5 | C2 | C3 | 97.8° | 79.2° |
| N2 | C5 | C2 | N1 | 138.4° | 160.8° |
| N2 | C5 | C2 | H1 | 21.3° | 40.8° |
| C5 | N2 | C6 | H22 | 6.1° | 34.9° |
| N5 | C25 | H27 | H28 | 120.0° | 120.1° |
| N5 | C25 | H27 | H29 | 120.0° | 120.0° |
| N5 | C25 | H28 | H29 | 120.0° | 120.0° |
| C25 | N5 | C24 | H30 | 31.9° | 120.0° |
| C25 | N5 | C24 | H31 | 88.2° | 0.1° |
| C25 | N5 | C24 | H32 | 151.8° | 120.0° |
| O3 | C5 | C2 | C3 | 109.9° | 100.8° |
| O3 | C5 | C2 | N1 | 13.9° | 19.2° |
| O3 | C5 | C2 | H1 | 131.1° | 139.2° |
| O3 | C5 | N2 | H21 | 170.5° | 175.2° |
| C5 | C2 | C3 | C26 | 32.8° | 174.1° |
| C5 | C2 | C3 | C4 | 93.2° | 65.9° |
| C5 | C2 | C3 | N1 | 123.1° | 120.1° |
| C5 | C2 | C3 | H1 | 119.4° | 120.0° |
| C5 | C2 | N1 | H1 | 116.7° | 119.9° |
| C5 | C2 | N1 | C1 | 102.5° | 155.0° |
| C5 | C2 | C3 | H2 | 150.8° | 54.1° |
| C5 | C2 | N1 | H9 | 77.5° | 25.0° |
| C2 | C5 | N2 | H21 | 20.4° | 4.8° |
| C24 | N5 | C25 | H27 | 31.1° | 90.1° |
| C24 | N5 | C25 | H28 | 151.1° | 30.0° |
| C24 | N5 | C25 | H29 | 88.9° | 150.0° |
| N5 | C24 | H30 | H31 | 120.0° | 120.0° |
| N5 | C24 | H30 | H32 | 120.0° | 120.0° |
| N5 | C24 | H31 | H32 | 120.0° | 120.0° |
| C26 | C3 | C4 | C2 | 129.8° | 120.0° |
| C26 | C3 | C4 | H2 | 114.4° | 120.0° |
| C26 | C3 | C2 | H2 | 118.0° | 120.1° |
| C26 | C3 | C2 | N1 | 90.3° | 65.8° |
| C26 | C3 | C2 | H1 | 152.2° | 54.2° |
| C3 | C26 | H3 | H4 | 120.0° | 120.0° |
| C3 | C26 | H3 | H5 | 120.0° | 119.9° |
| C3 | C26 | H4 | H5 | 120.0° | 119.9° |
| C26 | C3 | C4 | H6 | 180.0° | 180.0° |
| C26 | C3 | C4 | H7 | 60.0° | 60.0° |
| C26 | C3 | C4 | H8 | 60.0° | 60.0° |
| C4 | C3 | C2 | H2 | 116.0° | 120.0° |
| C4 | C3 | C2 | N1 | 143.7° | 54.1° |
| C4 | C3 | C2 | H1 | 26.2° | 174.1° |
| C4 | C3 | C26 | H3 | 180.0° | 53.3° |
| C4 | C3 | C26 | H4 | 60.0° | 66.8° |
| C4 | C3 | C26 | H5 | 60.0° | 173.3° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C3 | C2 | N1 | H1 | 116.7° | 120.0° |
| C3 | C2 | N1 | C1 | 131.0° | 85.0° |
| C2 | C3 | C26 | H3 | 52.4° | 66.7° |
| C2 | C3 | C26 | H4 | 67.7° | 173.3° |
| C2 | C3 | C26 | H5 | 172.3° | 53.3° |
| C2 | C3 | C4 | H6 | 50.2° | 60.0° |
| C2 | C3 | C4 | H7 | 170.2° | 180.0° |
| C2 | C3 | C4 | H8 | 69.8° | 60.0° |
| C3 | C2 | N1 | H9 | 49.0° | 95.0° |
| C2 | N1 | C1 | H9 | 180.0° | 180.0° |
| C2 | N1 | C1 | O1 | 35.2° | 0.0° |
| C2 | N1 | C1 | C27 | 178.3° | 180.0° |
| N1 | C2 | C3 | H2 | 27.7° | 174.1° |
| N1 | C1 | O1 | C27 | 145.7° | 180.0° |
| N1 | C1 | C27 | C28 | 132.0° | 180.0° |
| C1 | N1 | C2 | H1 | 14.3° | 35.0° |
| N1 | C1 | C27 | H10 | 107.6° | 60.1° |
| N1 | C1 | C27 | H11 | 11.5° | 60.0° |
| O1 | C1 | C27 | C28 | 79.5° | 0.0° |
| O1 | C1 | N1 | H9 | 144.8° | 180.0° |
| O1 | C1 | C27 | H10 | 40.9° | 119.9° |
| O1 | C1 | C27 | H11 | 160.0° | 120.0° |
| C1 | C27 | C28 | H10 | 120.4° | 120.0° |
| C1 | C27 | C28 | H11 | 120.4° | 120.0° |
| C1 | C27 | C28 | C29 | 147.5° | 180.0° |
| C27 | C1 | N1 | H9 | 1.7° | 0.0° |
| C1 | C27 | H10 | H11 | 118.6° | 120.1° |
| C1 | C27 | C28 | H12 | 92.0° | 60.0° |
| C1 | C27 | C28 | H13 | 27.0° | 60.0° |
| C27 | C28 | C29 | H12 | 120.5° | 120.0° |
| C27 | C28 | C29 | H13 | 120.5° | 120.0° |
| C27 | C28 | C29 | C30 | 173.7° | 180.0° |
| C28 | C27 | H10 | H11 | 118.6° | 120.0° |
| C27 | C28 | H12 | H13 | 118.4° | 120.0° |
| C27 | C28 | C29 | H14 | 53.5° | 60.0° |
| C27 | C28 | C29 | H15 | 66.0° | 60.0° |
| C28 | C29 | C30 | H14 | 120.2° | 120.1° |
| C28 | C29 | C30 | H15 | 120.2° | 119.9° |
| C28 | C29 | C30 | C31 | 108.1° | 180.0° |
| C29 | C28 | C27 | H10 | 27.1° | 60.0° |
| C29 | C28 | C27 | H11 | 92.1° | 60.0° |
| C29 | C28 | H12 | H13 | 118.3° | 120.0° |
| C28 | C29 | H14 | H15 | 119.4° | 120.0° |
| C28 | C29 | C30 | H16 | 12.4° | 59.9° |
| C28 | C29 | C30 | H17 | 131.4° | 60.1° |
| C29 | C30 | C31 | H16 | 120.5° | 120.1° |
| C29 | C30 | C31 | H17 | 120.5° | 119.9° |
| C30 | C29 | C28 | H12 | 65.7° | 59.9° |
| C30 | C29 | C28 | H13 | 53.2° | 60.0° |
| C30 | C29 | H14 | H15 | 119.4° | 119.9° |
| C29 | C30 | H16 | H17 | 118.5° | 119.9° |
| C29 | C30 | C31 | H18 | 180.0° | 179.9° |
| C29 | C30 | C31 | H19 | 60.0° | 59.9° |
| C29 | C30 | C31 | H20 | 60.0° | 60.0° |
| C31 | C30 | C29 | H14 | 131.7° | 59.9° |
| C31 | C30 | C29 | H15 | 12.2° | 60.1° |
| C31 | C30 | H16 | H17 | 118.5° | 120.0° |
| C30 | C31 | H18 | H19 | 120.0° | 120.0° |
| C30 | C31 | H18 | H20 | 120.0° | 120.0° |
| C30 | C31 | H19 | H20 | 120.0° | 120.0° |
| H1 | C2 | C3 | H2 | 89.8° | 65.9° |
| H1 | C2 | N1 | H9 | 165.7° | 144.9° |
| H2 | C3 | C26 | H3 | 65.6° | 173.3° |
| H2 | C3 | C26 | H4 | 174.4° | 53.2° |
| H2 | C3 | C26 | H5 | 54.4° | 66.7° |
| H2 | C3 | C4 | H6 | 65.7° | 60.0° |
| H2 | C3 | C4 | H7 | 54.4° | 60.0° |
| H2 | C3 | C4 | H8 | 174.3° | 180.0° |
| H3 | C26 | H4 | H5 | 120.0° | 120.1° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H10 | C27 | C28 | H12 | 147.6° | 180.0° |
| H10 | C27 | C28 | H13 | 93.4° | 60.0° |
| H11 | C27 | C28 | H12 | 28.5° | 60.1° |
| H11 | C27 | C28 | H13 | 147.4° | 180.0° |
| H12 | C28 | C29 | H14 | 174.1° | 180.0° |
| H12 | C28 | C29 | H15 | 54.5° | 60.0° |
| H13 | C28 | C29 | H14 | 67.0° | 60.0° |
| H13 | C28 | C29 | H15 | 173.4° | 180.0° |
| H14 | C29 | C30 | H16 | 107.8° | 180.0° |
| H14 | C29 | C30 | H17 | 11.2° | 60.0° |
| H15 | C29 | C30 | H16 | 132.7° | 60.0° |
| H15 | C29 | C30 | H17 | 108.3° | 180.0° |
| H16 | C30 | C31 | H18 | 59.5° | 60.0° |
| H16 | C30 | C31 | H19 | 179.5° | 180.0° |
| H16 | C30 | C31 | H20 | 60.5° | 60.0° |
| H17 | C30 | C31 | H18 | 59.5° | 60.0° |
| H17 | C30 | C31 | H19 | 60.5° | 60.0° |
| H17 | C30 | C31 | H20 | 179.5° | 180.0° |
| H18 | C31 | H19 | H20 | 120.0° | 120.0° |
| H21 | N2 | C6 | H22 | 173.9° | 145.0° |
| H22 | C6 | C7 | H23 | 168.3° | 65.0° |
| H22 | C6 | C7 | H24 | 72.8° | 175.0° |
| H23 | C7 | C8 | H25 | 76.4° | 180.0° |
| H23 | C7 | C8 | H26 | 42.4° | 60.0° |
| H24 | C7 | C8 | H25 | 164.8° | 60.0° |
| H24 | C7 | C8 | H26 | 76.5° | 180.0° |
| H27 | C25 | H28 | H29 | 120.0° | 119.9° |
| H30 | C24 | H31 | H32 | 120.0° | 120.0° |
| H33 | N3 | C11 | H34 | 169.1° | 172.5° |
| H34 | C11 | C12 | H35 | 125.9° | 175.0° |
| H34 | C11 | C12 | H36 | 117.1° | 65.0° |
| H34 | C11 | C16 | H44 | 73.7° | 56.6° |
| H35 | C12 | C13 | H37 | 51.6° | 65.0° |
| H36 | C12 | C13 | H37 | 168.6° | 175.0° |
| H37 | C13 | C15 | H38 | 59.5° | 180.0° |
| H37 | C13 | C15 | H39 | 60.5° | 60.0° |
| H37 | C13 | C15 | H40 | 179.5° | 60.0° |
| H37 | C13 | C14 | H41 | 62.1° | 180.0° |
| H37 | C13 | C14 | H42 | 177.9° | 60.0° |
| H37 | C13 | C14 | H43 | 57.9° | 60.0° |
| H38 | C15 | H39 | H40 | 120.0° | 120.1° |
| H41 | C14 | H42 | H43 | 120.0° | 119.9° |
| H44 | C16 | O6 | H45 | 65.5° | 180.0° |
| H44 | C16 | C17 | H46 | 17.4° | 176.3° |
| H46 | C17 | C23 | H47 | 61.8° | 57.2° |
| H46 | C17 | C23 | H48 | 178.2° | 62.8° |
| H46 | C17 | C23 | H49 | 58.2° | 177.2° |
| H46 | C17 | C18 | H50 | 53.2° | 65.0° |
| H46 | C17 | C18 | H51 | 63.6° | 175.0° |
| H47 | C23 | H48 | H49 | 120.0° | 120.0° |
| H50 | C18 | C44 | H52 | 58.4° | 59.9° |
| H50 | C18 | C44 | H53 | 178.4° | 180.0° |
| H50 | C18 | C44 | H54 | 61.6° | 60.1° |
| H51 | C18 | C44 | H52 | 58.4° | 60.0° |
| H51 | C18 | C44 | H53 | 61.6° | 60.0° |
| H51 | C18 | C44 | H54 | 178.4° | 180.0° |
| H52 | C44 | H53 | H54 | 120.0° | 120.0° |
