A1E1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| O09 | C35 | doub | 1.21Å | 1.26Å | |
| O10 | C35 | sing | 1.34Å | 1.26Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.51Å | 1.53Å | |
| O04 | C31 | sing | 1.43Å | 1.40Å | |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C34 | N11 | sing | 1.47Å | 1.45Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C32 | O05 | sing | 1.43Å | 1.40Å | |
| C33 | O06 | sing | 1.43Å | 1.40Å | |
| O02 | C30 | sing | 1.45Å | 1.40Å | |
| O02 | C29 | sing | 1.34Å | 1.40Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| O06 | P01 | sing | 1.61Å | 1.65Å | |
| C27 | C29 | sing | 1.51Å | 1.53Å | |
| C29 | O03 | doub | 1.21Å | 1.18Å | |
| O05 | P01 | sing | 1.61Å | 1.64Å | |
| P01 | O08 | doub | 1.48Å | 1.51Å | |
| P01 | O07 | sing | 1.61Å | 1.51Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| N11 | H44 | sing | 1.01Å | 1.00Å | |
| N11 | H45 | sing | 1.01Å | 1.00Å | |
| O04 | H47 | sing | 0.97Å | 0.95Å | |
| O07 | H48 | sing | 0.97Å | 0.95Å | |
| O10 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C26 | C24 | 109.9° | 109.5° |
| C28 | C26 | H15 | 109.4° | 109.5° |
| C28 | C26 | H16 | 109.4° | 109.5° |
| C26 | C28 | H17 | 109.5° | 109.5° |
| C26 | C28 | H18 | 109.5° | 109.5° |
| C26 | C28 | H19 | 109.5° | 109.5° |
| C26 | C24 | C22 | 110.0° | 109.5° |
| C26 | C24 | H13 | 109.4° | 109.4° |
| C26 | C24 | H14 | 109.3° | 109.5° |
| C24 | C26 | H15 | 109.4° | 109.5° |
| C24 | C26 | H16 | 109.4° | 109.5° |
| C24 | C22 | C20 | 109.9° | 109.5° |
| C24 | C22 | H11 | 109.4° | 109.4° |
| C24 | C22 | H12 | 109.4° | 109.5° |
| C22 | C24 | H13 | 109.3° | 109.5° |
| C22 | C24 | H14 | 109.3° | 109.5° |
| C22 | C20 | C19 | 109.2° | 109.5° |
| C22 | C20 | H7 | 109.5° | 109.5° |
| C22 | C20 | H8 | 109.5° | 109.5° |
| C20 | C22 | H11 | 109.3° | 109.5° |
| C20 | C22 | H12 | 109.4° | 109.5° |
| C20 | C19 | C17 | 109.6° | 109.5° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C19 | C20 | H8 | 109.5° | 109.4° |
| C20 | C19 | H28 | 109.4° | 109.5° |
| C20 | C19 | H29 | 109.5° | 109.5° |
| C19 | C17 | C15 | 110.0° | 109.5° |
| C19 | C17 | H5 | 109.4° | 109.5° |
| C19 | C17 | H6 | 109.3° | 109.4° |
| C17 | C19 | H28 | 109.4° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.5° |
| C17 | C15 | C13 | 109.5° | 109.5° |
| C17 | C15 | H3 | 109.4° | 109.5° |
| C17 | C15 | H4 | 109.5° | 109.5° |
| C15 | C17 | H5 | 109.3° | 109.5° |
| C15 | C17 | H6 | 109.3° | 109.5° |
| C15 | C13 | C12 | 109.5° | 109.5° |
| C15 | C13 | H1 | 109.4° | 109.4° |
| C15 | C13 | H2 | 109.5° | 109.5° |
| C13 | C15 | H3 | 109.5° | 109.4° |
| C13 | C15 | H4 | 109.5° | 109.4° |
| C13 | C12 | C14 | 109.7° | 109.5° |
| C12 | C13 | H1 | 109.5° | 109.4° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C13 | C12 | H20 | 109.4° | 109.4° |
| C13 | C12 | H21 | 109.4° | 109.4° |
| C12 | C14 | C16 | 109.4° | 109.5° |
| C14 | C12 | H20 | 109.4° | 109.5° |
| C14 | C12 | H21 | 109.4° | 109.5° |
| C12 | C14 | H22 | 109.5° | 109.5° |
| C12 | C14 | H23 | 109.5° | 109.5° |
| C14 | C16 | C18 | 109.6° | 109.4° |
| C16 | C14 | H22 | 109.5° | 109.5° |
| C16 | C14 | H23 | 109.5° | 109.5° |
| C14 | C16 | H24 | 109.4° | 109.5° |
| C14 | C16 | H25 | 109.4° | 109.5° |
| O09 | C35 | O10 | 120.0° | 120.0° |
| O09 | C35 | C34 | 120.0° | 120.0° |
| O10 | C35 | C34 | 120.0° | 120.0° |
| C35 | O10 | H49 | 109.5° | 117.0° |
| C16 | C18 | C21 | 110.3° | 109.4° |
| C18 | C16 | H24 | 109.4° | 109.5° |
| C18 | C16 | H25 | 109.4° | 109.5° |
| C16 | C18 | H26 | 109.3° | 109.4° |
| C16 | C18 | H27 | 109.2° | 109.5° |
| C35 | C34 | N11 | 109.3° | 109.5° |
| C35 | C34 | C33 | 109.3° | 109.5° |
| C35 | C34 | H43 | 109.3° | 109.5° |
| O04 | C31 | C32 | 109.5° | 109.5° |
| O04 | C31 | C30 | 109.8° | 109.5° |
| O04 | C31 | H38 | 110.6° | 109.5° |
| C31 | O04 | H47 | 109.5° | 114.1° |
| C18 | C21 | C23 | 108.5° | 109.5° |
| C18 | C21 | H9 | 109.7° | 109.5° |
| C18 | C21 | H10 | 109.7° | 109.5° |
| C21 | C18 | H26 | 109.3° | 109.5° |
| C21 | C18 | H27 | 109.3° | 109.5° |
| C21 | C23 | C25 | 110.0° | 109.5° |
| C23 | C21 | H9 | 109.7° | 109.5° |
| C23 | C21 | H10 | 109.8° | 109.5° |
| C21 | C23 | H30 | 109.3° | 109.4° |
| C21 | C23 | H31 | 109.3° | 109.4° |
| N11 | C34 | C33 | 109.4° | 109.5° |
| N11 | C34 | H43 | 110.3° | 109.4° |
| C34 | N11 | H44 | 109.5° | 111.0° |
| C34 | N11 | H45 | 109.5° | 111.0° |
| C34 | C33 | O06 | 109.2° | 109.5° |
| C34 | C33 | H41 | 109.5° | 109.5° |
| C34 | C33 | H42 | 109.5° | 109.5° |
| C33 | C34 | H43 | 109.2° | 109.5° |
| C32 | C31 | C30 | 109.1° | 109.4° |
| C31 | C32 | O05 | 108.7° | 109.5° |
| C32 | C31 | H38 | 108.9° | 109.5° |
| C31 | C32 | H39 | 109.7° | 109.5° |
| C31 | C32 | H40 | 109.7° | 109.5° |
| C31 | C30 | O02 | 109.5° | 109.4° |
| C31 | C30 | H36 | 109.5° | 109.5° |
| C31 | C30 | H37 | 109.5° | 109.4° |
| C30 | C31 | H38 | 108.9° | 109.4° |
| C23 | C25 | C27 | 109.7° | 109.5° |
| C25 | C23 | H30 | 109.3° | 109.5° |
| C25 | C23 | H31 | 109.3° | 109.5° |
| C23 | C25 | H32 | 109.4° | 109.5° |
| C23 | C25 | H33 | 109.4° | 109.5° |
| C32 | O05 | P01 | 118.7° | 123.0° |
| O05 | C32 | H39 | 109.7° | 109.5° |
| O05 | C32 | H40 | 109.7° | 109.4° |
| C33 | O06 | P01 | 118.6° | 123.0° |
| O06 | C33 | H41 | 109.5° | 109.4° |
| O06 | C33 | H42 | 109.5° | 109.5° |
| C30 | O02 | C29 | 113.9° | 117.0° |
| O02 | C30 | H36 | 109.5° | 109.5° |
| O02 | C30 | H37 | 109.5° | 109.4° |
| O02 | C29 | C27 | 120.1° | 120.0° |
| O02 | C29 | O03 | 120.0° | 120.0° |
| C25 | C27 | C29 | 109.2° | 109.5° |
| C27 | C25 | H32 | 109.4° | 109.4° |
| C27 | C25 | H33 | 109.4° | 109.5° |
| C25 | C27 | H34 | 109.5° | 109.5° |
| C25 | C27 | H35 | 109.5° | 109.5° |
| O06 | P01 | O05 | 109.5° | 109.5° |
| O06 | P01 | O08 | 109.3° | 109.5° |
| O06 | P01 | O07 | 109.6° | 109.4° |
| C27 | C29 | O03 | 120.0° | 120.0° |
| C29 | C27 | H34 | 109.5° | 109.5° |
| C29 | C27 | H35 | 109.5° | 109.4° |
| O05 | P01 | O08 | 109.3° | 109.5° |
| O05 | P01 | O07 | 109.2° | 109.5° |
| O08 | P01 | O07 | 109.8° | 109.5° |
| P01 | O07 | H48 | 109.5° | 114.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.4° |
| H9 | C21 | H10 | 109.4° | 109.4° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.4° | 109.5° |
| H17 | C28 | H18 | 109.4° | 109.5° |
| H17 | C28 | H19 | 109.5° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.4° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.4° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.5° | 109.5° |
| H44 | N11 | H45 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C26 | C24 | H15 | 120.1° | 120.0° |
| C28 | C26 | C24 | H16 | 120.1° | 120.0° |
| C28 | C26 | C24 | C22 | 173.9° | 180.0° |
| C28 | C26 | C24 | H13 | 53.8° | 60.0° |
| C28 | C26 | C24 | H14 | 66.0° | 60.0° |
| C28 | C26 | H15 | H16 | 119.8° | 120.0° |
| C26 | C28 | H17 | H18 | 120.0° | 120.0° |
| C26 | C28 | H17 | H19 | 120.0° | 120.0° |
| C26 | C28 | H18 | H19 | 120.0° | 120.0° |
| C26 | C24 | C22 | H13 | 120.1° | 119.9° |
| C26 | C24 | C22 | H14 | 120.1° | 120.0° |
| C26 | C24 | C22 | C20 | 60.4° | 180.0° |
| C26 | C24 | C22 | H11 | 59.6° | 60.0° |
| C26 | C24 | C22 | H12 | 179.5° | 60.0° |
| C26 | C24 | H13 | H14 | 119.8° | 120.0° |
| C24 | C26 | H15 | H16 | 119.8° | 120.0° |
| C24 | C26 | C28 | H17 | 180.0° | 180.0° |
| C24 | C26 | C28 | H18 | 60.0° | 60.0° |
| C24 | C26 | C28 | H19 | 60.0° | 60.0° |
| C24 | C22 | C20 | H11 | 120.1° | 119.9° |
| C24 | C22 | C20 | H12 | 120.1° | 120.1° |
| C24 | C22 | C20 | C19 | 73.4° | 180.0° |
| C24 | C22 | C20 | H7 | 46.6° | 59.9° |
| C24 | C22 | C20 | H8 | 166.7° | 60.1° |
| C24 | C22 | H11 | H12 | 119.8° | 120.0° |
| C22 | C24 | H13 | H14 | 119.7° | 120.0° |
| C22 | C24 | C26 | H15 | 66.0° | 60.1° |
| C22 | C24 | C26 | H16 | 53.8° | 59.9° |
| C22 | C20 | C19 | H7 | 120.0° | 120.1° |
| C22 | C20 | C19 | H8 | 120.0° | 120.0° |
| C22 | C20 | C19 | C17 | 175.5° | 180.0° |
| C22 | C20 | H7 | H8 | 120.1° | 120.0° |
| C20 | C22 | H11 | H12 | 119.8° | 120.0° |
| C20 | C22 | C24 | H13 | 179.5° | 60.1° |
| C20 | C22 | C24 | H14 | 59.7° | 60.0° |
| C22 | C20 | C19 | H28 | 55.5° | 60.0° |
| C22 | C20 | C19 | H29 | 64.5° | 60.0° |
| C20 | C19 | C17 | H28 | 120.0° | 120.1° |
| C20 | C19 | C17 | H29 | 120.0° | 120.0° |
| C20 | C19 | C17 | C15 | 62.6° | 180.0° |
| C20 | C19 | C17 | H5 | 177.4° | 60.0° |
| C20 | C19 | C17 | H6 | 57.5° | 60.0° |
| C19 | C20 | H7 | H8 | 120.1° | 120.0° |
| C19 | C20 | C22 | H11 | 166.6° | 60.0° |
| C19 | C20 | C22 | H12 | 46.7° | 60.0° |
| C20 | C19 | H28 | H29 | 120.0° | 120.0° |
| C19 | C17 | C15 | H5 | 120.1° | 120.0° |
| C19 | C17 | C15 | H6 | 120.1° | 120.0° |
| C19 | C17 | C15 | C13 | 105.3° | NaN° |
| C19 | C17 | C15 | H3 | 134.6° | 60.0° |
| C19 | C17 | C15 | H4 | 14.7° | 60.0° |
| C19 | C17 | H5 | H6 | 119.8° | 120.0° |
| C17 | C19 | C20 | H7 | 64.5° | 60.0° |
| C17 | C19 | C20 | H8 | 55.5° | 60.0° |
| C17 | C19 | H28 | H29 | 120.0° | 120.0° |
| C17 | C15 | C13 | H3 | 120.0° | 120.0° |
| C17 | C15 | C13 | H4 | 120.0° | 120.0° |
| C17 | C15 | C13 | C12 | 48.0° | 180.0° |
| C17 | C15 | C13 | H1 | 168.0° | 60.0° |
| C17 | C15 | C13 | H2 | 72.1° | 60.0° |
| C17 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C17 | H5 | H6 | 119.7° | 120.0° |
| C15 | C17 | C19 | H28 | 57.4° | 60.0° |
| C15 | C17 | C19 | H29 | 177.4° | 60.0° |
| C15 | C13 | C12 | H1 | 120.0° | 120.0° |
| C15 | C13 | C12 | H2 | 120.0° | 120.0° |
| C15 | C13 | C12 | C14 | 117.3° | NaN° |
| C15 | C13 | H1 | H2 | 120.0° | 120.0° |
| C13 | C15 | H3 | H4 | 120.0° | 120.0° |
| C13 | C15 | C17 | H5 | 14.8° | 60.0° |
| C13 | C15 | C17 | H6 | 134.6° | 60.0° |
| C15 | C13 | C12 | H20 | 122.7° | 60.0° |
| C15 | C13 | C12 | H21 | 2.7° | 60.0° |
| C13 | C12 | C14 | H20 | 120.0° | 120.0° |
| C13 | C12 | C14 | H21 | 120.0° | 120.0° |
| C13 | C12 | C14 | C16 | 67.2° | 180.0° |
| C12 | C13 | H1 | H2 | 120.0° | 120.0° |
| C12 | C13 | C15 | H3 | 72.0° | 60.0° |
| C12 | C13 | C15 | H4 | 168.0° | 60.0° |
| C13 | C12 | H20 | H21 | 119.9° | 119.9° |
| C13 | C12 | C14 | H22 | 172.8° | 60.0° |
| C13 | C12 | C14 | H23 | 52.8° | 60.0° |
| C12 | C14 | C16 | H22 | 120.0° | 120.0° |
| C12 | C14 | C16 | H23 | 120.0° | 120.0° |
| C12 | C14 | C16 | C18 | 175.7° | 180.0° |
| C14 | C12 | C13 | H1 | 2.7° | 60.0° |
| C14 | C12 | C13 | H2 | 122.7° | 60.0° |
| C14 | C12 | H20 | H21 | 119.9° | 120.0° |
| C12 | C14 | H22 | H23 | 120.1° | 120.0° |
| C12 | C14 | C16 | H24 | 55.7° | 60.0° |
| C12 | C14 | C16 | H25 | 64.2° | 60.0° |
| C14 | C16 | C18 | H24 | 120.0° | 120.0° |
| C14 | C16 | C18 | H25 | 120.0° | 120.0° |
| C14 | C16 | C18 | C21 | 57.4° | 180.0° |
| C16 | C14 | C12 | H20 | 52.8° | 60.0° |
| C16 | C14 | C12 | H21 | 172.8° | 60.0° |
| C16 | C14 | H22 | H23 | 120.0° | 120.0° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| C14 | C16 | C18 | H26 | 177.5° | 60.0° |
| C14 | C16 | C18 | H27 | 62.8° | 60.0° |
| O09 | C35 | O10 | C34 | 179.9° | 180.0° |
| O09 | C35 | C34 | N11 | 174.8° | 20.0° |
| O09 | C35 | C34 | C33 | 55.1° | 100.0° |
| O09 | C35 | C34 | H43 | 64.4° | 140.0° |
| O09 | C35 | O10 | H49 | 0.0° | 0.0° |
| O10 | C35 | C34 | N11 | 5.3° | 160.0° |
| O10 | C35 | C34 | C33 | 125.0° | 80.0° |
| O10 | C35 | C34 | H43 | 115.6° | 40.0° |
| C16 | C18 | C21 | H26 | 120.1° | 119.9° |
| C16 | C18 | C21 | H27 | 120.1° | 120.0° |
| C16 | C18 | C21 | C23 | 159.4° | 180.0° |
| C16 | C18 | C21 | H9 | 80.7° | 60.0° |
| C16 | C18 | C21 | H10 | 39.6° | 60.0° |
| C18 | C16 | C14 | H22 | 64.3° | 60.0° |
| C18 | C16 | C14 | H23 | 55.7° | 60.0° |
| C18 | C16 | H24 | H25 | 119.9° | 120.0° |
| C16 | C18 | H26 | H27 | 119.6° | 120.0° |
| C35 | C34 | N11 | C33 | 119.6° | 120.0° |
| C35 | C34 | N11 | H43 | 120.2° | 120.0° |
| C35 | C34 | C33 | H43 | 119.5° | 120.0° |
| C35 | C34 | C33 | O06 | 120.8° | 175.0° |
| C35 | C34 | C33 | H41 | 119.2° | 65.1° |
| C35 | C34 | C33 | H42 | 0.9° | 55.0° |
| C35 | C34 | N11 | H44 | 180.0° | 60.0° |
| C35 | C34 | N11 | H45 | 60.0° | 176.1° |
| C34 | C35 | O10 | H49 | 179.9° | 180.0° |
| O04 | C31 | C32 | C30 | 120.2° | 120.0° |
| O04 | C31 | C32 | H38 | 121.1° | 120.0° |
| O04 | C31 | C30 | H38 | 121.3° | 120.0° |
| O04 | C31 | C32 | O05 | 160.7° | 65.1° |
| O04 | C31 | C30 | O02 | 57.6° | 65.0° |
| O04 | C31 | C30 | H36 | 177.6° | 175.0° |
| O04 | C31 | C30 | H37 | 62.4° | 54.9° |
| O04 | C31 | C32 | H39 | 79.4° | 55.0° |
| O04 | C31 | C32 | H40 | 40.8° | 175.0° |
| C18 | C21 | C23 | H9 | 119.8° | 120.0° |
| C18 | C21 | C23 | H10 | 119.9° | 120.0° |
| C18 | C21 | C23 | C25 | 142.9° | 180.0° |
| C18 | C21 | H9 | H10 | 120.4° | 120.0° |
| C21 | C18 | C16 | H24 | 62.6° | 60.0° |
| C21 | C18 | C16 | H25 | 177.4° | 60.0° |
| C21 | C18 | H26 | H27 | 119.6° | 120.0° |
| C18 | C21 | C23 | H30 | 97.1° | 60.0° |
| C18 | C21 | C23 | H31 | 22.8° | 60.0° |
| C21 | C23 | C25 | H30 | 120.1° | 120.0° |
| C21 | C23 | C25 | H31 | 120.1° | 120.0° |
| C21 | C23 | C25 | C27 | 105.4° | 180.0° |
| C23 | C21 | H9 | H10 | 120.5° | 120.0° |
| C23 | C21 | C18 | H26 | 39.3° | 60.0° |
| C23 | C21 | C18 | H27 | 80.5° | 60.0° |
| C21 | C23 | H30 | H31 | 119.8° | 120.0° |
| C21 | C23 | C25 | H32 | 14.6° | 60.0° |
| C21 | C23 | C25 | H33 | 134.5° | 60.0° |
| N11 | C34 | C33 | H43 | 120.8° | 120.0° |
| N11 | C34 | C33 | O06 | 119.5° | 65.0° |
| N11 | C34 | C33 | H41 | 0.5° | 55.0° |
| N11 | C34 | C33 | H42 | 120.6° | 175.0° |
| C34 | N11 | H44 | H45 | 120.0° | 123.9° |
| C34 | C33 | O06 | H41 | 120.0° | 120.0° |
| C34 | C33 | O06 | H42 | 120.0° | 120.0° |
| C34 | C33 | O06 | P01 | 171.0° | 180.0° |
| C34 | C33 | H41 | H42 | 120.1° | 120.0° |
| C33 | C34 | N11 | H44 | 60.4° | 60.0° |
| C33 | C34 | N11 | H45 | 179.7° | 63.9° |
| C32 | C31 | C30 | H38 | 118.7° | 120.0° |
| C31 | C32 | O05 | H39 | 119.9° | 120.0° |
| C31 | C32 | O05 | H40 | 119.9° | 120.0° |
| C32 | C31 | C30 | O02 | 177.6° | 175.0° |
| C31 | C32 | O05 | P01 | 178.8° | 180.0° |
| C32 | C31 | C30 | H36 | 62.4° | 55.1° |
| C32 | C31 | C30 | H37 | 57.6° | 65.0° |
| C31 | C32 | H39 | H40 | 120.4° | 120.1° |
| C32 | C31 | O04 | H47 | 180.0° | 60.0° |
| C30 | C31 | C32 | O05 | 40.5° | 175.0° |
| C31 | C30 | O02 | H36 | 120.0° | 120.0° |
| C31 | C30 | O02 | H37 | 120.0° | 119.9° |
| C31 | C30 | O02 | C29 | 135.8° | 180.0° |
| C31 | C30 | H36 | H37 | 120.0° | 120.0° |
| C30 | C31 | C32 | H39 | 160.4° | 65.0° |
| C30 | C31 | C32 | H40 | 79.4° | 55.0° |
| C30 | C31 | O04 | H47 | 60.2° | 59.9° |
| C23 | C25 | C27 | H32 | 120.0° | 120.0° |
| C23 | C25 | C27 | H33 | 120.0° | 120.0° |
| C23 | C25 | C27 | C29 | 176.1° | 180.0° |
| C25 | C23 | C21 | H9 | 23.0° | 60.0° |
| C25 | C23 | C21 | H10 | 97.3° | 60.0° |
| C25 | C23 | H30 | H31 | 119.8° | 120.1° |
| C23 | C25 | H32 | H33 | 119.9° | 120.0° |
| C23 | C25 | C27 | H34 | 64.0° | 60.0° |
| C23 | C25 | C27 | H35 | 56.1° | 60.0° |
| C32 | O05 | P01 | O06 | 30.6° | 175.0° |
| C32 | O05 | P01 | O08 | 150.3° | 54.9° |
| C32 | O05 | P01 | O07 | 89.5° | 65.1° |
| O05 | C32 | C31 | H38 | 78.1° | 55.0° |
| O05 | C32 | H39 | H40 | 120.4° | 119.9° |
| C33 | O06 | P01 | O05 | 129.3° | 175.0° |
| C33 | O06 | P01 | O08 | 9.5° | 54.9° |
| C33 | O06 | P01 | O07 | 110.9° | 65.0° |
| O06 | C33 | H41 | H42 | 120.1° | 120.0° |
| O06 | C33 | C34 | H43 | 1.4° | 55.0° |
| C30 | O02 | C29 | C27 | 176.6° | 180.0° |
| C30 | O02 | C29 | O03 | 3.5° | 0.0° |
| O02 | C30 | H36 | H37 | 120.0° | 120.0° |
| O02 | C30 | C31 | H38 | 63.7° | 55.0° |
| O02 | C29 | C27 | C25 | 75.5° | 180.0° |
| O02 | C29 | C27 | O03 | 180.0° | 180.0° |
| O02 | C29 | C27 | H34 | 164.6° | 60.0° |
| O02 | C29 | C27 | H35 | 44.5° | 60.0° |
| C29 | O02 | C30 | H36 | 15.8° | 60.0° |
| C29 | O02 | C30 | H37 | 104.2° | 60.0° |
| C25 | C27 | C29 | H34 | 119.9° | 120.0° |
| C25 | C27 | C29 | H35 | 120.0° | 120.0° |
| C25 | C27 | C29 | O03 | 104.5° | 0.0° |
| C27 | C25 | C23 | H30 | 134.5° | 60.0° |
| C27 | C25 | C23 | H31 | 14.6° | 60.0° |
| C27 | C25 | H32 | H33 | 119.9° | 120.0° |
| C25 | C27 | H34 | H35 | 120.1° | 120.0° |
| O06 | P01 | O05 | O08 | 119.8° | 120.0° |
| O06 | P01 | O05 | O07 | 120.0° | 119.9° |
| O06 | P01 | O08 | O07 | 120.3° | 119.9° |
| P01 | O06 | C33 | H41 | 51.0° | 60.0° |
| P01 | O06 | C33 | H42 | 69.1° | 60.0° |
| O06 | P01 | O07 | H48 | 120.1° | 60.0° |
| C29 | C27 | C25 | H32 | 56.0° | 60.0° |
| C29 | C27 | C25 | H33 | 63.9° | 60.0° |
| C29 | C27 | H34 | H35 | 120.1° | 120.0° |
| O03 | C29 | C27 | H34 | 15.5° | 120.0° |
| O03 | C29 | C27 | H35 | 135.6° | 120.0° |
| O05 | P01 | O08 | O07 | 119.8° | 120.0° |
| P01 | O05 | C32 | H39 | 58.9° | 59.9° |
| P01 | O05 | C32 | H40 | 61.3° | 60.0° |
| O05 | P01 | O07 | H48 | 119.9° | 60.0° |
| O08 | P01 | O07 | H48 | 0.0° | 180.0° |
| H1 | C13 | C15 | H3 | 48.0° | 60.0° |
| H1 | C13 | C15 | H4 | 72.0° | 180.0° |
| H1 | C13 | C12 | H20 | 117.3° | 179.9° |
| H1 | C13 | C12 | H21 | 122.7° | 60.0° |
| H2 | C13 | C15 | H3 | 167.9° | 180.0° |
| H2 | C13 | C15 | H4 | 48.0° | 60.0° |
| H2 | C13 | C12 | H20 | 2.7° | 60.1° |
| H2 | C13 | C12 | H21 | 117.3° | 180.0° |
| H3 | C15 | C17 | H5 | 105.3° | 180.0° |
| H3 | C15 | C17 | H6 | 14.6° | 59.9° |
| H4 | C15 | C17 | H5 | 134.8° | 60.0° |
| H4 | C15 | C17 | H6 | 105.4° | 180.0° |
| H5 | C17 | C19 | H28 | 62.7° | 179.9° |
| H5 | C17 | C19 | H29 | 57.3° | 60.0° |
| H6 | C17 | C19 | H28 | 177.5° | 60.0° |
| H6 | C17 | C19 | H29 | 62.5° | 180.0° |
| H7 | C20 | C22 | H11 | 73.5° | 60.0° |
| H7 | C20 | C22 | H12 | 166.7° | 180.0° |
| H7 | C20 | C19 | H28 | 175.5° | 60.1° |
| H7 | C20 | C19 | H29 | 55.5° | 180.0° |
| H8 | C20 | C22 | H11 | 46.6° | 180.0° |
| H8 | C20 | C22 | H12 | 73.2° | 60.0° |
| H8 | C20 | C19 | H28 | 64.5° | 180.0° |
| H8 | C20 | C19 | H29 | 175.6° | 60.0° |
| H9 | C21 | C18 | H26 | 159.2° | 60.0° |
| H9 | C21 | C18 | H27 | 39.4° | 180.0° |
| H9 | C21 | C23 | H30 | 143.1° | 180.0° |
| H9 | C21 | C23 | H31 | 97.0° | 60.0° |
| H10 | C21 | C18 | H26 | 80.6° | 179.9° |
| H10 | C21 | C18 | H27 | 159.7° | 60.0° |
| H10 | C21 | C23 | H30 | 22.8° | 60.0° |
| H10 | C21 | C23 | H31 | 142.7° | 180.0° |
| H11 | C22 | C24 | H13 | 60.4° | 180.0° |
| H11 | C22 | C24 | H14 | 179.7° | 60.0° |
| H12 | C22 | C24 | H13 | 59.4° | 60.0° |
| H12 | C22 | C24 | H14 | 60.4° | NaN° |
| H13 | C24 | C26 | H15 | 173.9° | 180.0° |
| H13 | C24 | C26 | H16 | 66.3° | 60.0° |
| H14 | C24 | C26 | H15 | 54.0° | 60.0° |
| H14 | C24 | C26 | H16 | 173.9° | 180.0° |
| H15 | C26 | C28 | H17 | 59.9° | 60.0° |
| H15 | C26 | C28 | H18 | 60.1° | 180.0° |
| H15 | C26 | C28 | H19 | 179.9° | 60.0° |
| H16 | C26 | C28 | H17 | 59.9° | 60.0° |
| H16 | C26 | C28 | H18 | 179.9° | 60.0° |
| H16 | C26 | C28 | H19 | 60.1° | 180.0° |
| H17 | C28 | H18 | H19 | 120.0° | 120.0° |
| H20 | C12 | C14 | H22 | 67.1° | 180.0° |
| H20 | C12 | C14 | H23 | 172.8° | 60.0° |
| H21 | C12 | C14 | H22 | 52.8° | 60.0° |
| H21 | C12 | C14 | H23 | 67.2° | 179.9° |
| H22 | C14 | C16 | H24 | 175.7° | 180.0° |
| H22 | C14 | C16 | H25 | 55.7° | 60.0° |
| H23 | C14 | C16 | H24 | 64.3° | 60.0° |
| H23 | C14 | C16 | H25 | 175.7° | 180.0° |
| H24 | C16 | C18 | H26 | 57.5° | 60.0° |
| H24 | C16 | C18 | H27 | 177.2° | 180.0° |
| H25 | C16 | C18 | H26 | 62.5° | 180.0° |
| H25 | C16 | C18 | H27 | 57.3° | 60.0° |
| H30 | C23 | C25 | H32 | 105.4° | NaN° |
| H30 | C23 | C25 | H33 | 14.5° | 60.0° |
| H31 | C23 | C25 | H32 | 134.7° | 59.9° |
| H31 | C23 | C25 | H33 | 105.4° | 180.0° |
| H32 | C25 | C27 | H34 | 176.0° | 180.0° |
| H32 | C25 | C27 | H35 | 64.0° | 60.0° |
| H33 | C25 | C27 | H34 | 56.1° | 60.0° |
| H33 | C25 | C27 | H35 | 176.1° | 180.0° |
| H36 | C30 | C31 | H38 | 56.3° | 65.0° |
| H37 | C30 | C31 | H38 | 176.3° | 174.9° |
| H38 | C31 | C32 | H39 | 41.7° | 175.0° |
| H38 | C31 | C32 | H40 | 161.9° | 64.9° |
| H38 | C31 | O04 | H47 | 60.0° | 179.9° |
| H41 | C33 | C34 | H43 | 121.3° | 175.0° |
| H42 | C33 | C34 | H43 | 118.6° | 65.0° |
| H43 | C34 | N11 | H44 | 59.8° | 180.0° |
| H43 | C34 | N11 | H45 | 60.2° | 56.1° |
