4S7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.47Å | |
| C16 | C15 | sing | 1.53Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.49Å | |
| C9 | C8 | sing | 1.53Å | 1.48Å | |
| C8 | C7 | sing | 1.53Å | 1.48Å | |
| C7 | C6 | sing | 1.53Å | 1.48Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C4 | O3 | sing | 1.43Å | 1.37Å | |
| O3 | P1 | sing | 1.61Å | 1.56Å | |
| O2 | P1 | doub | 1.48Å | 1.53Å | |
| N3 | N2 | doub | 1.12Å | 1.22Å | |
| N2 | N1 | doub | 1.12Å | 1.22Å | |
| P1 | C1 | sing | 1.82Å | 1.82Å | |
| N1 | C3 | sing | 1.46Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C21 | H44 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| P1 | O1 | sing | 1.61Å | 48.56Å | |
| O1 | H21 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 110.8° | 109.4° |
| C21 | C20 | H41 | 109.1° | 109.4° |
| C21 | C20 | H42 | 109.1° | 109.5° |
| C20 | C21 | H43 | 109.5° | 109.5° |
| C20 | C21 | H44 | 109.5° | 109.4° |
| C20 | C21 | H45 | 109.5° | 109.5° |
| C20 | C19 | C18 | 109.3° | 109.4° |
| C20 | C19 | H39 | 109.5° | 109.5° |
| C20 | C19 | H40 | 109.5° | 109.5° |
| C19 | C20 | H41 | 109.1° | 109.5° |
| C19 | C20 | H42 | 109.2° | 109.5° |
| C19 | C18 | C17 | 111.6° | 109.5° |
| C19 | C18 | H37 | 108.9° | 109.5° |
| C19 | C18 | H38 | 109.0° | 109.5° |
| C18 | C19 | H39 | 109.5° | 109.5° |
| C18 | C19 | H40 | 109.5° | 109.4° |
| C18 | C17 | C16 | 108.4° | 109.5° |
| C18 | C17 | H35 | 109.8° | 109.5° |
| C18 | C17 | H36 | 109.8° | 109.4° |
| C17 | C18 | H37 | 109.0° | 109.5° |
| C17 | C18 | H38 | 108.9° | 109.4° |
| C17 | C16 | C15 | 109.9° | 109.5° |
| C17 | C16 | H33 | 109.4° | 109.5° |
| C17 | C16 | H34 | 109.4° | 109.5° |
| C16 | C17 | H35 | 109.7° | 109.5° |
| C16 | C17 | H36 | 109.7° | 109.5° |
| C16 | C15 | C14 | 106.0° | 109.5° |
| C16 | C15 | H31 | 110.3° | 109.4° |
| C16 | C15 | H32 | 110.3° | 109.4° |
| C15 | C16 | H33 | 109.4° | 109.4° |
| C15 | C16 | H34 | 109.4° | 109.5° |
| C15 | C14 | C13 | 108.7° | 109.5° |
| C15 | C14 | H29 | 109.7° | 109.5° |
| C15 | C14 | H30 | 109.7° | 109.5° |
| C14 | C15 | H31 | 110.3° | 109.5° |
| C14 | C15 | H32 | 110.3° | 109.5° |
| C14 | C13 | C12 | 109.1° | 109.4° |
| C14 | C13 | H27 | 109.6° | 109.5° |
| C14 | C13 | H28 | 109.6° | 109.5° |
| C13 | C14 | H29 | 109.7° | 109.5° |
| C13 | C14 | H30 | 109.6° | 109.5° |
| C12 | C11 | C10 | 110.9° | 109.5° |
| C11 | C12 | C13 | 109.7° | 109.4° |
| C12 | C11 | H23 | 109.1° | 109.5° |
| C12 | C11 | H24 | 109.1° | 109.5° |
| C11 | C12 | H25 | 109.4° | 109.5° |
| C11 | C12 | H26 | 109.4° | 109.5° |
| C11 | C10 | C9 | 110.5° | 109.5° |
| C11 | C10 | H5 | 109.2° | 109.4° |
| C11 | C10 | H6 | 109.2° | 109.4° |
| C10 | C11 | H23 | 109.1° | 109.4° |
| C10 | C11 | H24 | 109.1° | 109.4° |
| C13 | C12 | H25 | 109.4° | 109.4° |
| C13 | C12 | H26 | 109.4° | 109.5° |
| C12 | C13 | H27 | 109.6° | 109.4° |
| C12 | C13 | H28 | 109.6° | 109.5° |
| C10 | C9 | C8 | 109.2° | 109.5° |
| C10 | C9 | H3 | 109.5° | 109.5° |
| C10 | C9 | H4 | 109.6° | 109.5° |
| C9 | C10 | H5 | 109.2° | 109.5° |
| C9 | C10 | H6 | 109.2° | 109.5° |
| C9 | C8 | C7 | 109.2° | 109.5° |
| C8 | C9 | H3 | 109.6° | 109.5° |
| C8 | C9 | H4 | 109.6° | 109.5° |
| C9 | C8 | H11 | 109.6° | 109.5° |
| C9 | C8 | H12 | 109.5° | 109.5° |
| C8 | C7 | C6 | 108.7° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.4° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C8 | C7 | H13 | 109.7° | 109.4° |
| C8 | C7 | H14 | 109.7° | 109.5° |
| C7 | C6 | C5 | 111.9° | 109.5° |
| C6 | C7 | H13 | 109.6° | 109.5° |
| C6 | C7 | H14 | 109.7° | 109.5° |
| C7 | C6 | H15 | 108.8° | 109.5° |
| C7 | C6 | H16 | 108.8° | 109.5° |
| C6 | C5 | C4 | 110.0° | 109.4° |
| C5 | C6 | H15 | 108.9° | 109.5° |
| C5 | C6 | H16 | 108.9° | 109.4° |
| C6 | C5 | H17 | 109.4° | 109.4° |
| C6 | C5 | H18 | 109.3° | 109.5° |
| C5 | C4 | O3 | 109.8° | 109.4° |
| C5 | C4 | H7 | 109.4° | 109.5° |
| C5 | C4 | H8 | 109.4° | 109.5° |
| C4 | C5 | H17 | 109.3° | 109.5° |
| C4 | C5 | H18 | 109.3° | 109.5° |
| C4 | O3 | P1 | 122.4° | 123.0° |
| O3 | C4 | H7 | 109.4° | 109.5° |
| O3 | C4 | H8 | 109.4° | 109.5° |
| O3 | P1 | O2 | 94.1° | 109.5° |
| O3 | P1 | C1 | 102.0° | 109.5° |
| O3 | P1 | O1 | 121.0° | 109.5° |
| O2 | P1 | C1 | 102.9° | 109.4° |
| O2 | P1 | O1 | 79.8° | 109.5° |
| N3 | N2 | N1 | 176.2° | 180.0° |
| N2 | N3 | H22 | 112.0° | 120.0° |
| N2 | N1 | C3 | 115.8° | 120.0° |
| P1 | C1 | C2 | 107.2° | 109.5° |
| P1 | C1 | H19 | 110.0° | 109.4° |
| P1 | C1 | H20 | 110.0° | 109.5° |
| C1 | P1 | O1 | 136.7° | 109.5° |
| N1 | C3 | C2 | 111.0° | 109.5° |
| N1 | C3 | H9 | 109.1° | 109.4° |
| N1 | C3 | H10 | 109.1° | 109.5° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | H1 | 109.3° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C2 | C1 | H19 | 110.0° | 109.5° |
| C2 | C1 | H20 | 110.0° | 109.5° |
| C3 | C2 | H1 | 109.2° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.4° |
| C2 | C3 | H9 | 109.1° | 109.5° |
| C2 | C3 | H10 | 109.1° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C9 | H4 | 109.5° | 109.4° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H9 | C3 | H10 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.4° |
| H17 | C5 | H18 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.4° |
| H23 | C11 | H24 | 109.5° | 109.4° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H27 | C13 | H28 | 109.4° | 109.5° |
| H29 | C14 | H30 | 109.4° | 109.4° |
| H31 | C15 | H32 | 109.4° | 109.5° |
| H33 | C16 | H34 | 109.4° | 109.4° |
| H35 | C17 | H36 | 109.5° | 109.5° |
| H37 | C18 | H38 | 109.5° | 109.5° |
| H39 | C19 | H40 | 109.4° | 109.5° |
| H41 | C20 | H42 | 109.5° | 109.5° |
| H43 | C21 | H44 | 109.5° | 109.5° |
| H43 | C21 | H45 | 109.4° | 109.5° |
| H44 | C21 | H45 | 109.5° | 109.5° |
| P1 | O1 | H21 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H41 | 120.2° | 119.9° |
| C21 | C20 | C19 | H42 | 120.2° | 120.0° |
| C21 | C20 | C19 | C18 | 140.7° | 179.9° |
| C21 | C20 | C19 | H39 | 20.7° | 60.0° |
| C21 | C20 | C19 | H40 | 99.3° | 60.0° |
| C21 | C20 | H41 | H42 | 119.4° | 120.0° |
| C20 | C21 | H43 | H44 | 120.0° | 119.9° |
| C20 | C21 | H43 | H45 | 120.0° | 120.0° |
| C20 | C21 | H44 | H45 | 120.0° | 120.0° |
| C20 | C19 | C18 | H39 | 120.0° | 120.1° |
| C20 | C19 | C18 | H40 | 120.0° | 120.0° |
| C20 | C19 | C18 | C17 | 59.9° | 180.0° |
| C20 | C19 | C18 | H37 | 60.4° | 60.0° |
| C20 | C19 | C18 | H38 | 179.8° | 60.1° |
| C20 | C19 | H39 | H40 | 120.1° | 120.1° |
| C19 | C20 | H41 | H42 | 119.4° | 120.1° |
| C19 | C20 | C21 | H43 | 180.0° | 180.0° |
| C19 | C20 | C21 | H44 | 60.0° | 60.0° |
| C19 | C20 | C21 | H45 | 60.0° | 60.0° |
| C19 | C18 | C17 | H37 | 120.3° | 120.1° |
| C19 | C18 | C17 | H38 | 120.3° | 120.0° |
| C19 | C18 | C17 | C16 | 178.4° | 180.0° |
| C19 | C18 | C17 | H35 | 61.7° | 59.9° |
| C19 | C18 | C17 | H36 | 58.6° | 60.0° |
| C19 | C18 | H37 | H38 | 119.0° | 120.0° |
| C18 | C19 | H39 | H40 | 120.0° | 119.9° |
| C18 | C19 | C20 | H41 | 99.1° | 60.0° |
| C18 | C19 | C20 | H42 | 20.5° | 60.1° |
| C18 | C17 | C16 | H35 | 119.8° | 120.0° |
| C18 | C17 | C16 | H36 | 119.8° | 119.9° |
| C18 | C17 | C16 | C15 | 175.0° | 180.0° |
| C18 | C17 | C16 | H33 | 64.9° | 60.0° |
| C18 | C17 | C16 | H34 | 54.9° | 60.0° |
| C18 | C17 | H35 | H36 | 120.5° | 119.9° |
| C17 | C18 | H37 | H38 | 119.0° | 119.9° |
| C17 | C18 | C19 | H39 | 179.9° | 59.9° |
| C17 | C18 | C19 | H40 | 60.1° | 60.1° |
| C17 | C16 | C15 | H33 | 120.1° | 120.0° |
| C17 | C16 | C15 | H34 | 120.1° | 120.0° |
| C17 | C16 | C15 | C14 | 59.8° | NaN° |
| C17 | C16 | C15 | H31 | 179.3° | 60.0° |
| C17 | C16 | C15 | H32 | 59.6° | 60.0° |
| C17 | C16 | H33 | H34 | 119.8° | 120.0° |
| C16 | C17 | H35 | H36 | 120.5° | 120.0° |
| C16 | C17 | C18 | H37 | 58.1° | 60.0° |
| C16 | C17 | C18 | H38 | 61.3° | 60.0° |
| C16 | C15 | C14 | H31 | 119.5° | 120.0° |
| C16 | C15 | C14 | H32 | 119.5° | 120.0° |
| C16 | C15 | C14 | C13 | 170.7° | 180.0° |
| C16 | C15 | C14 | H29 | 50.8° | 60.0° |
| C16 | C15 | C14 | H30 | 69.4° | 60.0° |
| C16 | C15 | H31 | H32 | 121.6° | 119.9° |
| C15 | C16 | H33 | H34 | 119.8° | 119.9° |
| C15 | C16 | C17 | H35 | 55.1° | 60.0° |
| C15 | C16 | C17 | H36 | 65.2° | 60.0° |
| C15 | C14 | C13 | H29 | 119.9° | 120.0° |
| C15 | C14 | C13 | H30 | 119.9° | 120.0° |
| C15 | C14 | C13 | C12 | 145.9° | 180.0° |
| C15 | C14 | C13 | H27 | 94.1° | 60.1° |
| C15 | C14 | C13 | H28 | 25.9° | 60.0° |
| C15 | C14 | H29 | H30 | 120.4° | 119.9° |
| C14 | C15 | H31 | H32 | 121.5° | 120.0° |
| C14 | C15 | C16 | H33 | 60.2° | 60.0° |
| C14 | C15 | C16 | H34 | 179.9° | 60.0° |
| C14 | C13 | C12 | C11 | 133.9° | 180.0° |
| C14 | C13 | C12 | H27 | 119.9° | 119.9° |
| C14 | C13 | C12 | H28 | 119.9° | 120.0° |
| C14 | C13 | C12 | H25 | 13.8° | 60.1° |
| C14 | C13 | C12 | H26 | 106.1° | 60.0° |
| C14 | C13 | H27 | H28 | 120.1° | 120.1° |
| C13 | C14 | H29 | H30 | 120.3° | 120.1° |
| C13 | C14 | C15 | H31 | 69.8° | 60.0° |
| C13 | C14 | C15 | H32 | 51.3° | 60.0° |
| C12 | C11 | C10 | H23 | 120.2° | 120.0° |
| C12 | C11 | C10 | H24 | 120.2° | 120.1° |
| C11 | C12 | C13 | H25 | 120.0° | 119.9° |
| C11 | C12 | C13 | H26 | 120.0° | 120.0° |
| C12 | C11 | C10 | C9 | 117.2° | 180.0° |
| C12 | C11 | C10 | H5 | 2.9° | 60.0° |
| C12 | C11 | C10 | H6 | 122.7° | 60.0° |
| C12 | C11 | H23 | H24 | 119.3° | 120.1° |
| C11 | C12 | H25 | H26 | 119.9° | 120.1° |
| C11 | C12 | C13 | H27 | 13.9° | 60.1° |
| C11 | C12 | C13 | H28 | 106.2° | 60.0° |
| C10 | C11 | C12 | C13 | 130.3° | 180.0° |
| C11 | C10 | C9 | H5 | 120.1° | 120.0° |
| C11 | C10 | C9 | H6 | 120.2° | 120.0° |
| C11 | C10 | C9 | C8 | 163.7° | 180.0° |
| C11 | C10 | C9 | H3 | 43.8° | 60.0° |
| C11 | C10 | C9 | H4 | 76.3° | 60.0° |
| C11 | C10 | H5 | H6 | 119.5° | 119.9° |
| C10 | C11 | H23 | H24 | 119.4° | 119.9° |
| C10 | C11 | C12 | H25 | 109.7° | 60.1° |
| C10 | C11 | C12 | H26 | 10.3° | 60.0° |
| C13 | C12 | C11 | H23 | 109.5° | 60.0° |
| C13 | C12 | C11 | H24 | 10.0° | 60.0° |
| C13 | C12 | H25 | H26 | 119.9° | 120.0° |
| C12 | C13 | H27 | H28 | 120.2° | 120.0° |
| C12 | C13 | C14 | H29 | 26.0° | 60.0° |
| C12 | C13 | C14 | H30 | 94.2° | 60.0° |
| C10 | C9 | C8 | H3 | 119.9° | 120.0° |
| C10 | C9 | C8 | H4 | 120.0° | 120.0° |
| C10 | C9 | C8 | C7 | 97.2° | 180.0° |
| C10 | C9 | H3 | H4 | 120.1° | 120.0° |
| C9 | C10 | H5 | H6 | 119.5° | 120.0° |
| C10 | C9 | C8 | H11 | 22.7° | 60.0° |
| C10 | C9 | C8 | H12 | 142.8° | 60.0° |
| C9 | C10 | C11 | H23 | 122.6° | 60.0° |
| C9 | C10 | C11 | H24 | 3.0° | 60.0° |
| C9 | C8 | C7 | H11 | 120.0° | 120.0° |
| C9 | C8 | C7 | H12 | 119.9° | 120.0° |
| C9 | C8 | C7 | C6 | 163.6° | NaN° |
| C8 | C9 | H3 | H4 | 120.2° | 120.0° |
| C8 | C9 | C10 | H5 | 76.2° | 60.0° |
| C8 | C9 | C10 | H6 | 43.6° | 60.0° |
| C9 | C8 | H11 | H12 | 120.1° | 120.0° |
| C9 | C8 | C7 | H13 | 43.7° | 60.0° |
| C9 | C8 | C7 | H14 | 76.5° | 60.0° |
| C8 | C7 | C6 | H13 | 119.9° | 119.9° |
| C8 | C7 | C6 | H14 | 119.9° | 120.0° |
| C8 | C7 | C6 | C5 | 108.5° | 179.9° |
| C7 | C8 | C9 | H3 | 142.8° | 60.0° |
| C7 | C8 | C9 | H4 | 22.7° | 60.0° |
| C7 | C8 | H11 | H12 | 120.1° | 120.0° |
| C8 | C7 | H13 | H14 | 120.3° | 120.0° |
| C8 | C7 | C6 | H15 | 11.9° | 60.0° |
| C8 | C7 | C6 | H16 | 131.1° | 60.0° |
| C7 | C6 | C5 | H15 | 120.3° | 120.0° |
| C7 | C6 | C5 | H16 | 120.4° | 120.0° |
| C7 | C6 | C5 | C4 | 112.4° | 180.0° |
| C6 | C7 | C8 | H11 | 76.5° | 60.0° |
| C6 | C7 | C8 | H12 | 43.6° | 60.0° |
| C6 | C7 | H13 | H14 | 120.4° | 120.0° |
| C7 | C6 | H15 | H16 | 118.8° | 120.0° |
| C7 | C6 | C5 | H17 | 7.7° | 60.0° |
| C7 | C6 | C5 | H18 | 127.5° | 60.0° |
| C6 | C5 | C4 | H17 | 120.1° | 119.9° |
| C6 | C5 | C4 | H18 | 120.1° | 120.0° |
| C6 | C5 | C4 | O3 | 141.8° | 180.0° |
| C6 | C5 | C4 | H7 | 21.7° | 60.0° |
| C6 | C5 | C4 | H8 | 98.2° | 60.0° |
| C5 | C6 | C7 | H13 | 131.6° | 60.0° |
| C5 | C6 | C7 | H14 | 11.4° | 60.0° |
| C5 | C6 | H15 | H16 | 118.9° | 119.9° |
| C6 | C5 | H17 | H18 | 119.8° | 120.0° |
| C5 | C4 | O3 | H7 | 120.0° | 120.1° |
| C5 | C4 | O3 | H8 | 120.1° | 120.0° |
| C5 | C4 | O3 | P1 | 162.9° | 180.0° |
| C5 | C4 | H7 | H8 | 119.9° | 120.0° |
| C4 | C5 | C6 | H15 | 127.3° | 59.9° |
| C4 | C5 | C6 | H16 | 8.0° | 60.0° |
| C4 | C5 | H17 | H18 | 119.8° | 120.1° |
| C4 | O3 | P1 | O2 | 146.2° | 55.1° |
| C4 | O3 | P1 | C1 | 42.1° | 175.0° |
| O3 | C4 | H7 | H8 | 119.8° | 120.0° |
| O3 | C4 | C5 | H17 | 98.2° | 60.1° |
| O3 | C4 | C5 | H18 | 21.7° | 60.0° |
| C4 | O3 | P1 | O1 | 133.2° | 65.0° |
| O3 | P1 | O2 | C1 | 103.3° | 120.0° |
| O3 | P1 | O2 | O1 | 120.8° | 120.1° |
| O3 | P1 | C1 | O1 | 174.2° | 120.1° |
| O3 | P1 | C1 | C2 | 89.0° | 175.0° |
| P1 | O3 | C4 | H7 | 42.8° | 59.9° |
| P1 | O3 | C4 | H8 | 77.1° | 60.0° |
| O3 | P1 | C1 | H19 | 30.6° | 65.0° |
| O3 | P1 | C1 | H20 | 151.3° | 54.9° |
| O3 | P1 | O1 | H21 | 90.0° | 60.0° |
| O2 | P1 | C1 | O1 | 88.7° | 119.9° |
| O2 | P1 | C1 | C2 | 8.0° | 55.0° |
| O2 | P1 | C1 | H19 | 127.6° | 175.0° |
| O2 | P1 | C1 | H20 | 111.7° | 65.1° |
| O2 | P1 | O1 | H21 | 90.0° | 180.0° |
| N3 | N2 | N1 | C3 | 12.8° | 159.1° |
| N2 | N1 | C3 | C2 | 91.2° | 119.9° |
| N2 | N1 | C3 | H9 | 29.1° | 0.0° |
| N2 | N1 | C3 | H10 | 148.6° | 120.0° |
| N1 | N2 | N3 | H22 | 0.0° | 111.9° |
| P1 | C1 | C2 | H19 | 119.6° | 120.0° |
| P1 | C1 | C2 | H20 | 119.7° | 120.0° |
| P1 | C1 | C2 | C3 | 175.8° | 179.9° |
| P1 | C1 | C2 | H1 | 64.1° | 60.0° |
| P1 | C1 | C2 | H2 | 55.6° | 60.0° |
| P1 | C1 | H19 | H20 | 121.0° | 120.0° |
| C1 | P1 | O1 | H21 | 90.0° | 60.1° |
| N1 | C3 | C2 | C1 | 109.3° | 180.0° |
| N1 | C3 | C2 | H9 | 120.2° | 119.9° |
| N1 | C3 | C2 | H10 | 120.2° | 120.0° |
| N1 | C3 | C2 | H1 | 130.6° | 60.0° |
| N1 | C3 | C2 | H2 | 10.8° | 60.1° |
| N1 | C3 | H9 | H10 | 119.3° | 119.9° |
| C1 | C2 | C3 | H1 | 120.2° | 120.0° |
| C1 | C2 | C3 | H2 | 120.1° | 119.9° |
| C1 | C2 | H1 | H2 | 119.6° | 120.0° |
| C1 | C2 | C3 | H9 | 130.5° | 60.0° |
| C1 | C2 | C3 | H10 | 10.9° | 60.0° |
| C2 | C1 | H19 | H20 | 121.0° | 120.0° |
| C2 | C1 | P1 | O1 | 96.8° | 65.0° |
| C3 | C2 | H1 | H2 | 119.6° | 120.0° |
| C2 | C3 | H9 | H10 | 119.3° | 120.1° |
| C3 | C2 | C1 | H19 | 56.2° | 59.9° |
| C3 | C2 | C1 | H20 | 64.6° | 60.0° |
| H1 | C2 | C3 | H9 | 10.3° | 60.0° |
| H1 | C2 | C3 | H10 | 109.2° | 180.0° |
| H1 | C2 | C1 | H19 | 176.3° | 180.0° |
| H1 | C2 | C1 | H20 | 55.6° | 60.0° |
| H2 | C2 | C3 | H9 | 109.4° | 180.0° |
| H2 | C2 | C3 | H10 | 131.1° | 60.0° |
| H2 | C2 | C1 | H19 | 64.0° | 60.0° |
| H2 | C2 | C1 | H20 | 175.3° | 180.0° |
| H3 | C9 | C10 | H5 | 163.9° | 60.0° |
| H3 | C9 | C10 | H6 | 76.4° | 179.9° |
| H3 | C9 | C8 | H11 | 97.2° | 180.0° |
| H3 | C9 | C8 | H12 | 22.9° | 60.0° |
| H4 | C9 | C10 | H5 | 43.8° | 180.0° |
| H4 | C9 | C10 | H6 | 163.5° | 60.0° |
| H4 | C9 | C8 | H11 | 142.7° | 60.0° |
| H4 | C9 | C8 | H12 | 97.2° | 180.0° |
| H5 | C10 | C11 | H23 | 117.3° | 180.0° |
| H5 | C10 | C11 | H24 | 123.1° | 60.1° |
| H6 | C10 | C11 | H23 | 2.4° | 60.1° |
| H6 | C10 | C11 | H24 | 117.1° | 180.0° |
| H7 | C4 | C5 | H17 | 141.8° | 59.9° |
| H7 | C4 | C5 | H18 | 98.4° | 180.0° |
| H8 | C4 | C5 | H17 | 21.9° | 180.0° |
| H8 | C4 | C5 | H18 | 141.7° | 59.9° |
| H11 | C8 | C7 | H13 | 163.7° | 180.0° |
| H11 | C8 | C7 | H14 | 43.4° | 60.0° |
| H12 | C8 | C7 | H13 | 76.2° | 60.0° |
| H12 | C8 | C7 | H14 | 163.5° | 180.0° |
| H13 | C7 | C6 | H15 | 108.0° | 180.0° |
| H13 | C7 | C6 | H16 | 11.2° | 60.0° |
| H14 | C7 | C6 | H15 | 131.8° | 60.0° |
| H14 | C7 | C6 | H16 | 109.0° | 180.0° |
| H15 | C6 | C5 | H17 | 112.7° | 60.0° |
| H15 | C6 | C5 | H18 | 7.2° | 180.0° |
| H16 | C6 | C5 | H17 | 128.0° | 180.0° |
| H16 | C6 | C5 | H18 | 112.1° | 60.0° |
| H19 | C1 | P1 | O1 | 143.6° | 55.1° |
| H20 | C1 | P1 | O1 | 22.9° | 175.0° |
| H23 | C11 | C12 | H25 | 10.5° | 180.0° |
| H23 | C11 | C12 | H26 | 130.4° | 59.9° |
| H24 | C11 | C12 | H25 | 130.1° | 59.9° |
| H24 | C11 | C12 | H26 | 110.0° | 180.0° |
| H25 | C12 | C13 | H27 | 106.1° | 180.0° |
| H25 | C12 | C13 | H28 | 133.8° | 60.0° |
| H26 | C12 | C13 | H27 | 134.0° | 60.0° |
| H26 | C12 | C13 | H28 | 13.8° | 180.0° |
| H27 | C13 | C14 | H29 | 146.0° | 180.0° |
| H27 | C13 | C14 | H30 | 25.8° | 59.9° |
| H28 | C13 | C14 | H29 | 94.0° | 59.9° |
| H28 | C13 | C14 | H30 | 145.8° | 180.0° |
| H29 | C14 | C15 | H31 | 170.3° | 180.0° |
| H29 | C14 | C15 | H32 | 68.7° | 60.0° |
| H30 | C14 | C15 | H31 | 50.1° | 60.0° |
| H30 | C14 | C15 | H32 | 171.1° | 179.9° |
| H31 | C15 | C16 | H33 | 59.2° | 180.0° |
| H31 | C15 | C16 | H34 | 60.6° | 60.1° |
| H32 | C15 | C16 | H33 | 179.7° | 60.0° |
| H32 | C15 | C16 | H34 | 60.4° | 180.0° |
| H33 | C16 | C17 | H35 | 175.2° | 180.0° |
| H33 | C16 | C17 | H36 | 54.9° | 60.0° |
| H34 | C16 | C17 | H35 | 64.9° | 60.0° |
| H34 | C16 | C17 | H36 | 174.8° | 180.0° |
| H35 | C17 | C18 | H37 | 177.9° | 180.0° |
| H35 | C17 | C18 | H38 | 58.6° | 60.0° |
| H36 | C17 | C18 | H37 | 61.7° | 60.0° |
| H36 | C17 | C18 | H38 | 178.9° | 180.0° |
| H37 | C18 | C19 | H39 | 59.6° | 180.0° |
| H37 | C18 | C19 | H40 | 179.6° | 60.0° |
| H38 | C18 | C19 | H39 | 59.8° | 60.0° |
| H38 | C18 | C19 | H40 | 60.2° | 180.0° |
| H39 | C19 | C20 | H41 | 140.9° | 179.9° |
| H39 | C19 | C20 | H42 | 99.5° | 59.9° |
| H40 | C19 | C20 | H41 | 20.9° | 59.9° |
| H40 | C19 | C20 | H42 | 140.5° | 180.0° |
| H41 | C20 | C21 | H43 | 59.8° | 60.1° |
| H41 | C20 | C21 | H44 | 60.2° | 180.0° |
| H41 | C20 | C21 | H45 | 179.8° | 60.0° |
| H42 | C20 | C21 | H43 | 59.7° | 60.0° |
| H42 | C20 | C21 | H44 | 179.8° | 60.0° |
| H42 | C20 | C21 | H45 | 60.2° | 180.0° |
| H43 | C21 | H44 | H45 | 120.0° | 120.1° |
