LSC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | doub | 1.31Å | 1.33Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| O19 | C18 | sing | 1.34Å | 1.46Å | |
| C18 | O32 | doub | 1.21Å | 1.22Å | |
| C20 | O19 | sing | 1.45Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| O33 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O23 | C22 | sing | 1.43Å | 1.43Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| P24 | O23 | sing | 1.61Å | 1.62Å | |
| O35 | P24 | sing | 1.61Å | 1.61Å | |
| O34 | P24 | doub | 1.48Å | 1.51Å | |
| P24 | O25 | sing | 1.61Å | 1.51Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | O35 | sing | 1.43Å | 1.43Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| N32 | C31 | sing | 1.47Å | 1.47Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | N32 | sing | 1.47Å | 1.47Å | |
| C35 | N32 | sing | 1.47Å | 1.47Å | |
| N32 | C34 | sing | 1.47Å | 1.47Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C1 | C2 | H2A | 108.9° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C3 | C2 | H2A | 108.8° | 109.5° |
| C2 | C3 | C4 | 111.3° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| C2 | C3 | H3A | 108.9° | 109.5° |
| H2 | C2 | H2A | 110.1° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C4 | C3 | H3A | 108.9° | 109.4° |
| C3 | C4 | C5 | 110.6° | 109.5° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| C3 | C4 | H4A | 109.1° | 109.5° |
| H3 | C3 | H3A | 110.1° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.4° |
| C5 | C4 | H4A | 109.1° | 109.4° |
| C4 | C5 | C6 | 110.8° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.4° |
| C4 | C5 | H5A | 109.0° | 109.4° |
| H4 | C4 | H4A | 109.8° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C6 | C5 | H5A | 109.0° | 109.6° |
| C5 | C6 | C7 | 112.5° | 109.4° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C5 | C6 | H6A | 108.5° | 109.5° |
| H5 | C5 | H5A | 109.9° | 109.4° |
| C7 | C6 | H6 | 108.5° | 109.5° |
| C7 | C6 | H6A | 108.5° | 109.5° |
| C6 | C7 | C8 | 110.2° | 109.5° |
| C6 | C7 | H7 | 109.2° | 109.5° |
| C6 | C7 | H7A | 109.2° | 109.5° |
| H6 | C6 | H6A | 110.5° | 109.5° |
| C8 | C7 | H7 | 109.2° | 109.5° |
| C8 | C7 | H7A | 109.2° | 109.5° |
| C7 | C8 | C9 | 109.0° | 109.5° |
| C7 | C8 | H8 | 109.6° | 109.5° |
| C7 | C8 | H8A | 109.6° | 109.5° |
| H7 | C7 | H7A | 109.7° | 109.5° |
| C9 | C8 | H8 | 109.6° | 109.5° |
| C9 | C8 | H8A | 109.6° | 109.5° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C11 | C10 | H10 | 120.1° | 120.0° |
| C10 | C11 | C12 | 109.4° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.5° |
| C12 | C11 | H11 | 109.5° | 109.4° |
| C12 | C11 | H11A | 109.5° | 109.5° |
| C11 | C12 | C13 | 111.6° | 109.5° |
| C11 | C12 | H12 | 108.8° | 109.5° |
| C11 | C12 | H12A | 108.7° | 109.5° |
| H11 | C11 | H11A | 109.4° | 109.5° |
| C13 | C12 | H12 | 108.8° | 109.5° |
| C13 | C12 | H12A | 108.8° | 109.5° |
| C12 | C13 | C14 | 110.6° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.5° |
| C12 | C13 | H13A | 109.1° | 109.5° |
| H12 | C12 | H12A | 110.2° | 109.4° |
| C14 | C13 | H13 | 109.1° | 109.5° |
| C14 | C13 | H13A | 109.1° | 109.5° |
| C13 | C14 | C15 | 111.7° | 109.5° |
| C13 | C14 | H14 | 108.7° | 109.5° |
| C13 | C14 | H14A | 108.7° | 109.5° |
| H13 | C13 | H13A | 109.8° | 109.4° |
| C15 | C14 | H14 | 108.7° | 109.4° |
| C15 | C14 | H14A | 108.7° | 109.5° |
| C14 | C15 | C16 | 111.7° | 109.5° |
| C14 | C15 | H15 | 108.8° | 109.4° |
| C14 | C15 | H15A | 108.7° | 109.5° |
| H14 | C14 | H14A | 110.2° | 109.5° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C16 | C15 | H15A | 108.7° | 109.5° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C15 | C16 | H16 | 109.0° | 109.5° |
| C15 | C16 | H16A | 108.9° | 109.5° |
| H15 | C15 | H15A | 110.2° | 109.5° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C17 | C16 | H16A | 109.0° | 109.5° |
| C16 | C17 | C18 | 110.1° | 109.5° |
| C16 | C17 | H17 | 109.3° | 109.5° |
| C16 | C17 | H17A | 109.3° | 109.5° |
| H16 | C16 | H16A | 110.0° | 109.4° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C18 | C17 | H17A | 109.3° | 109.5° |
| C17 | C18 | O19 | 120.7° | 120.0° |
| C17 | C18 | O32 | 120.2° | 120.0° |
| H17 | C17 | H17A | 109.7° | 109.5° |
| O19 | C18 | O32 | 119.1° | 120.0° |
| C18 | O19 | C20 | 119.9° | 117.0° |
| O19 | C20 | C21 | 111.4° | 109.5° |
| O19 | C20 | H20 | 108.8° | 109.4° |
| O19 | C20 | H20A | 108.8° | 109.5° |
| C21 | C20 | H20 | 108.8° | 109.5° |
| C21 | C20 | H20A | 108.8° | 109.5° |
| C20 | C21 | C22 | 111.5° | 109.4° |
| C20 | C21 | O33 | 109.2° | 109.5° |
| C20 | C21 | H21 | 108.2° | 109.5° |
| H20 | C20 | H20A | 110.1° | 109.4° |
| C22 | C21 | O33 | 109.3° | 109.5° |
| C22 | C21 | H21 | 108.2° | 109.5° |
| C21 | C22 | O23 | 109.1° | 109.5° |
| C21 | C22 | H22 | 109.6° | 109.5° |
| C21 | C22 | H22A | 109.6° | 109.5° |
| O33 | C21 | H21 | 110.4° | 109.5° |
| C21 | O33 | HO33 | 109.5° | 114.0° |
| O23 | C22 | H22 | 109.6° | 109.4° |
| O23 | C22 | H22A | 109.6° | 109.5° |
| C22 | O23 | P24 | 122.4° | 123.0° |
| H22 | C22 | H22A | 109.4° | 109.4° |
| O23 | P24 | O35 | 103.9° | 109.5° |
| O23 | P24 | O34 | 108.1° | 109.5° |
| O23 | P24 | O25 | 108.9° | 109.5° |
| O35 | P24 | O34 | 108.4° | 109.5° |
| O35 | P24 | O25 | 106.8° | 109.4° |
| P24 | O35 | C30 | 119.8° | 123.0° |
| O34 | P24 | O25 | 119.6° | 109.5° |
| P24 | O25 | HO25 | 109.5° | 114.0° |
| C31 | C30 | O35 | 109.9° | 109.5° |
| C31 | C30 | H30 | 109.3° | 109.5° |
| C31 | C30 | H30A | 109.3° | 109.5° |
| C30 | C31 | N32 | 108.4° | 109.5° |
| C30 | C31 | H31 | 109.9° | 109.5° |
| C30 | C31 | H31A | 109.9° | 109.5° |
| O35 | C30 | H30 | 109.3° | 109.5° |
| O35 | C30 | H30A | 109.3° | 109.5° |
| H30 | C30 | H30A | 109.6° | 109.5° |
| N32 | C31 | H31 | 109.8° | 109.5° |
| N32 | C31 | H31A | 109.8° | 109.5° |
| C31 | N32 | C33 | 109.7° | 109.4° |
| C31 | N32 | C35 | 108.8° | 109.5° |
| C31 | N32 | C34 | 109.1° | 109.5° |
| H31 | C31 | H31A | 109.1° | 109.4° |
| C33 | N32 | C35 | 109.4° | 109.4° |
| C33 | N32 | C34 | 110.0° | 109.5° |
| N32 | C33 | H33 | 109.5° | 109.5° |
| N32 | C33 | H33A | 109.5° | 109.5° |
| N32 | C33 | H33B | 109.5° | 109.5° |
| C35 | N32 | C34 | 109.8° | 109.5° |
| N32 | C35 | H35 | 109.5° | 109.5° |
| N32 | C35 | H35A | 109.4° | 109.5° |
| N32 | C35 | H35B | 109.5° | 109.5° |
| N32 | C34 | H34 | 109.5° | 109.5° |
| N32 | C34 | H34A | 109.4° | 109.5° |
| N32 | C34 | H34B | 109.5° | 109.4° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.4° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| H35 | C35 | H35A | 109.5° | 109.4° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 119.3° | 120.0° |
| C1 | C2 | C3 | C4 | 175.4° | 180.0° |
| C1 | C2 | C3 | H3 | 55.4° | 60.0° |
| C1 | C2 | C3 | H3A | 64.7° | 60.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 60.0° |
| H1 | C1 | C2 | H2 | 60.0° | 180.0° |
| H1 | C1 | C2 | H2A | 60.0° | 60.0° |
| H1A | C1 | C2 | C3 | 60.0° | 180.0° |
| H1A | C1 | C2 | H2 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2A | 180.0° | 60.0° |
| H1B | C1 | C2 | C3 | 60.0° | 60.0° |
| H1B | C1 | C2 | H2 | 180.0° | 60.0° |
| H1B | C1 | C2 | H2A | 60.0° | 180.0° |
| C3 | C2 | H2 | H2A | 119.2° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 119.3° | 120.0° |
| C2 | C3 | C4 | C5 | 170.4° | 180.0° |
| C2 | C3 | C4 | H4 | 69.7° | 60.0° |
| C2 | C3 | C4 | H4A | 50.3° | 60.0° |
| H2 | C2 | C3 | C4 | 64.7° | 60.0° |
| H2 | C2 | C3 | H3 | 175.3° | 180.0° |
| H2 | C2 | C3 | H3A | 55.3° | 60.0° |
| H2A | C2 | C3 | C4 | 55.3° | 60.0° |
| H2A | C2 | C3 | H3 | 64.7° | 60.0° |
| H2A | C2 | C3 | H3A | 175.3° | 180.0° |
| C4 | C3 | H3 | H3A | 119.3° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.5° | 120.0° |
| C3 | C4 | C5 | C6 | 176.6° | 180.0° |
| C3 | C4 | C5 | H5 | 56.6° | 60.0° |
| C3 | C4 | C5 | H5A | 63.4° | 59.9° |
| H3 | C3 | C4 | C5 | 50.4° | 60.0° |
| H3 | C3 | C4 | H4 | 170.3° | 180.0° |
| H3 | C3 | C4 | H4A | 69.7° | 60.0° |
| H3A | C3 | C4 | C5 | 69.6° | 60.0° |
| H3A | C3 | C4 | H4 | 50.3° | 60.0° |
| H3A | C3 | C4 | H4A | 170.3° | 180.0° |
| C5 | C4 | H4 | H4A | 119.6° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 119.5° | 119.9° |
| C4 | C5 | C6 | C7 | 101.3° | 180.0° |
| C4 | C5 | C6 | H6 | 18.7° | 60.0° |
| C4 | C5 | C6 | H6A | 138.7° | 60.0° |
| H4 | C4 | C5 | C6 | 63.4° | 60.0° |
| H4 | C4 | C5 | H5 | 176.6° | 180.0° |
| H4 | C4 | C5 | H5A | 56.6° | 60.1° |
| H4A | C4 | C5 | C6 | 56.6° | 60.0° |
| H4A | C4 | C5 | H5 | 63.4° | 60.0° |
| H4A | C4 | C5 | H5A | 176.6° | 179.9° |
| C6 | C5 | H5 | H5A | 119.5° | 120.1° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 118.8° | 120.0° |
| C5 | C6 | C7 | C8 | 113.5° | 180.0° |
| C5 | C6 | C7 | H7 | 6.5° | 60.0° |
| C5 | C6 | C7 | H7A | 126.5° | 60.0° |
| H5 | C5 | C6 | C7 | 138.7° | 60.0° |
| H5 | C5 | C6 | H6 | 101.3° | 180.0° |
| H5 | C5 | C6 | H6A | 18.7° | 60.0° |
| H5A | C5 | C6 | C7 | 18.7° | 60.0° |
| H5A | C5 | C6 | H6 | 138.7° | 60.0° |
| H5A | C5 | C6 | H6A | 101.3° | 180.0° |
| C7 | C6 | H6 | H6A | 118.8° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7A | 119.7° | 120.0° |
| C6 | C7 | C8 | C9 | 63.9° | 180.0° |
| C6 | C7 | C8 | H8 | 56.1° | 60.0° |
| C6 | C7 | C8 | H8A | 176.2° | 60.0° |
| H6 | C6 | C7 | C8 | 126.5° | 60.0° |
| H6 | C6 | C7 | H7 | 113.5° | NaN° |
| H6 | C6 | C7 | H7A | 6.5° | 60.0° |
| H6A | C6 | C7 | C8 | 6.5° | 60.0° |
| H6A | C6 | C7 | H7 | 126.5° | 60.0° |
| H6A | C6 | C7 | H7A | 113.5° | 180.0° |
| C8 | C7 | H7 | H7A | 119.7° | 120.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 140.4° | 125.0° |
| C7 | C8 | C9 | H9 | 39.6° | 55.0° |
| H7 | C7 | C8 | C9 | 176.2° | 60.0° |
| H7 | C7 | C8 | H8 | 63.9° | 180.0° |
| H7 | C7 | C8 | H8A | 56.2° | 60.0° |
| H7A | C7 | C8 | C9 | 56.1° | 60.0° |
| H7A | C7 | C8 | H8 | 176.1° | 60.0° |
| H7A | C7 | C8 | H8A | 63.8° | 180.0° |
| C9 | C8 | H8 | H8A | 120.2° | 120.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 179.9° | NaN° |
| C8 | C9 | C10 | H10 | 0.1° | 0.0° |
| H8 | C8 | C9 | C10 | 20.4° | 5.0° |
| H8 | C8 | C9 | H9 | 159.6° | 175.0° |
| H8A | C8 | C9 | C10 | 99.7° | 115.0° |
| H8A | C8 | C9 | H9 | 80.3° | 65.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 143.9° | 125.0° |
| C9 | C10 | C11 | H11 | 96.1° | 115.0° |
| C9 | C10 | C11 | H11A | 23.9° | 5.0° |
| H9 | C9 | C10 | C11 | 0.1° | 0.0° |
| H9 | C9 | C10 | H10 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | C12 | C13 | 110.5° | 180.0° |
| C10 | C11 | C12 | H12 | 129.5° | 60.0° |
| C10 | C11 | C12 | H12A | 9.5° | 60.0° |
| H10 | C10 | C11 | C12 | 36.1° | 55.0° |
| H10 | C10 | C11 | H11 | 83.9° | 65.0° |
| H10 | C10 | C11 | H11A | 156.1° | 175.0° |
| C12 | C11 | H11 | H11A | 120.0° | 120.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12A | 119.1° | 120.0° |
| C11 | C12 | C13 | C14 | 151.4° | 180.0° |
| C11 | C12 | C13 | H13 | 88.6° | 60.0° |
| C11 | C12 | C13 | H13A | 31.4° | 60.0° |
| H11 | C11 | C12 | C13 | 9.6° | 60.0° |
| H11 | C11 | C12 | H12 | 110.4° | 180.0° |
| H11 | C11 | C12 | H12A | 129.6° | 60.0° |
| H11A | C11 | C12 | C13 | 129.6° | 60.0° |
| H11A | C11 | C12 | H12 | 9.6° | 60.0° |
| H11A | C11 | C12 | H12A | 110.4° | NaN° |
| C13 | C12 | H12 | H12A | 119.2° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 119.5° | 119.9° |
| C12 | C13 | C14 | C15 | 125.6° | 180.0° |
| C12 | C13 | C14 | H14 | 5.6° | 60.0° |
| C12 | C13 | C14 | H14A | 114.4° | 60.0° |
| H12 | C12 | C13 | C14 | 31.4° | 60.0° |
| H12 | C12 | C13 | H13 | 151.4° | 180.0° |
| H12 | C12 | C13 | H13A | 88.6° | 60.0° |
| H12A | C12 | C13 | C14 | 88.6° | 60.0° |
| H12A | C12 | C13 | H13 | 31.4° | 60.1° |
| H12A | C12 | C13 | H13A | 151.4° | NaN° |
| C14 | C13 | H13 | H13A | 119.6° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 119.1° | 120.0° |
| C13 | C14 | C15 | C16 | 75.7° | 180.0° |
| C13 | C14 | C15 | H15 | 44.3° | 60.0° |
| C13 | C14 | C15 | H15A | 164.3° | 60.0° |
| H13 | C13 | C14 | C15 | 114.4° | 60.0° |
| H13 | C13 | C14 | H14 | 125.6° | 180.0° |
| H13 | C13 | C14 | H14A | 5.6° | 60.0° |
| H13A | C13 | C14 | C15 | 5.6° | 60.0° |
| H13A | C13 | C14 | H14 | 114.4° | 60.0° |
| H13A | C13 | C14 | H14A | 125.6° | NaN° |
| C15 | C14 | H14 | H14A | 119.1° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 119.9° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.1° | 120.0° |
| C14 | C15 | C16 | C17 | 173.1° | 180.0° |
| C14 | C15 | C16 | H16 | 66.9° | 60.0° |
| C14 | C15 | C16 | H16A | 53.1° | 60.0° |
| H14 | C14 | C15 | C16 | 164.3° | 60.0° |
| H14 | C14 | C15 | H15 | 75.7° | 180.0° |
| H14 | C14 | C15 | H15A | 44.3° | 60.0° |
| H14A | C14 | C15 | C16 | 44.2° | 60.0° |
| H14A | C14 | C15 | H15 | 164.3° | 60.0° |
| H14A | C14 | C15 | H15A | 75.8° | 180.0° |
| C16 | C15 | H15 | H15A | 119.1° | 120.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 119.4° | 120.0° |
| C15 | C16 | C17 | C18 | 175.3° | 180.0° |
| C15 | C16 | C17 | H17 | 64.7° | 60.0° |
| C15 | C16 | C17 | H17A | 55.3° | 60.0° |
| H15 | C15 | C16 | C17 | 53.0° | 60.0° |
| H15 | C15 | C16 | H16 | 173.0° | 179.9° |
| H15 | C15 | C16 | H16A | 66.9° | 60.0° |
| H15A | C15 | C16 | C17 | 66.9° | 60.0° |
| H15A | C15 | C16 | H16 | 53.1° | 60.0° |
| H15A | C15 | C16 | H16A | 173.1° | 180.0° |
| C17 | C16 | H16 | H16A | 119.4° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.1° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17A | 119.7° | 120.0° |
| C16 | C17 | C18 | O19 | 109.4° | 180.0° |
| C16 | C17 | C18 | O32 | 69.8° | 0.0° |
| H16 | C16 | C17 | C18 | 55.3° | 60.0° |
| H16 | C16 | C17 | H17 | 175.3° | 180.0° |
| H16 | C16 | C17 | H17A | 64.7° | 60.0° |
| H16A | C16 | C17 | C18 | 64.7° | 60.0° |
| H16A | C16 | C17 | H17 | 55.3° | 60.0° |
| H16A | C16 | C17 | H17A | 175.3° | 180.0° |
| C18 | C17 | H17 | H17A | 119.8° | 120.0° |
| C17 | C18 | O19 | O32 | 179.2° | 180.0° |
| C17 | C18 | O19 | C20 | 156.8° | 180.0° |
| H17 | C17 | C18 | O19 | 130.6° | 60.0° |
| H17 | C17 | C18 | O32 | 50.2° | 120.0° |
| H17A | C17 | C18 | O19 | 10.6° | 60.0° |
| H17A | C17 | C18 | O32 | 170.2° | 120.0° |
| C18 | O19 | C20 | C21 | 156.5° | 180.0° |
| C18 | O19 | C20 | H20 | 36.4° | 60.0° |
| C18 | O19 | C20 | H20A | 83.5° | 59.9° |
| O32 | C18 | O19 | C20 | 24.0° | 0.0° |
| O19 | C20 | C21 | H20 | 120.0° | 120.0° |
| O19 | C20 | C21 | H20A | 120.0° | 120.1° |
| O19 | C20 | H20 | H20A | 119.2° | 120.0° |
| O19 | C20 | C21 | C22 | 85.2° | 175.0° |
| O19 | C20 | C21 | O33 | 153.9° | 65.0° |
| O19 | C20 | C21 | H21 | 33.6° | 55.0° |
| C21 | C20 | H20 | H20A | 119.2° | 120.0° |
| C20 | C21 | C22 | O33 | 120.9° | 120.0° |
| C20 | C21 | C22 | H21 | 118.9° | 120.0° |
| C20 | C21 | O33 | H21 | 118.9° | 120.0° |
| C20 | C21 | C22 | O23 | 156.4° | 175.0° |
| C20 | C21 | C22 | H22 | 36.5° | 65.0° |
| C20 | C21 | C22 | H22A | 83.6° | 55.0° |
| C20 | C21 | O33 | HO33 | 180.0° | 60.0° |
| H20 | C20 | C21 | C22 | 154.8° | 65.0° |
| H20 | C20 | C21 | O33 | 33.9° | 55.0° |
| H20 | C20 | C21 | H21 | 86.4° | 175.0° |
| H20A | C20 | C21 | C22 | 34.8° | 54.9° |
| H20A | C20 | C21 | O33 | 86.1° | 174.9° |
| H20A | C20 | C21 | H21 | 153.6° | 65.0° |
| C22 | C21 | O33 | H21 | 118.9° | 120.0° |
| C21 | C22 | O23 | H22 | 120.0° | 120.0° |
| C21 | C22 | O23 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22A | 120.1° | 120.0° |
| C21 | C22 | O23 | P24 | 158.7° | 180.0° |
| C22 | C21 | O33 | HO33 | 57.8° | 60.0° |
| O33 | C21 | C22 | O23 | 35.6° | 65.0° |
| O33 | C21 | C22 | H22 | 84.4° | 55.0° |
| O33 | C21 | C22 | H22A | 155.6° | 175.0° |
| H21 | C21 | C22 | O23 | 84.7° | 55.0° |
| H21 | C21 | C22 | H22 | 155.3° | 175.0° |
| H21 | C21 | C22 | H22A | 35.3° | 65.0° |
| H21 | C21 | O33 | HO33 | 61.1° | 180.0° |
| O23 | C22 | H22 | H22A | 120.1° | 120.0° |
| C22 | O23 | P24 | O35 | 59.6° | 175.0° |
| C22 | O23 | P24 | O34 | 174.6° | 55.0° |
| C22 | O23 | P24 | O25 | 54.0° | 65.0° |
| H22 | C22 | O23 | P24 | 81.3° | 60.0° |
| H22A | C22 | O23 | P24 | 38.7° | 60.0° |
| O23 | P24 | O35 | O34 | 114.8° | 120.0° |
| O23 | P24 | O35 | O25 | 115.1° | 120.0° |
| O23 | P24 | O34 | O25 | 125.3° | 120.1° |
| O23 | P24 | O25 | HO25 | 124.9° | 59.9° |
| O23 | P24 | O35 | C30 | 61.9° | 175.0° |
| O35 | P24 | O34 | O25 | 122.7° | 120.0° |
| O35 | P24 | O25 | HO25 | 123.5° | 60.1° |
| P24 | O35 | C30 | C31 | 151.4° | 180.0° |
| P24 | O35 | C30 | H30 | 31.4° | 60.0° |
| P24 | O35 | C30 | H30A | 88.7° | 60.0° |
| O34 | P24 | O25 | HO25 | 0.0° | 180.0° |
| O34 | P24 | O35 | C30 | 176.8° | 55.0° |
| O25 | P24 | O35 | C30 | 53.1° | 65.0° |
| C31 | C30 | O35 | H30 | 120.0° | 120.0° |
| C31 | C30 | O35 | H30A | 120.0° | 120.0° |
| C31 | C30 | H30 | H30A | 119.8° | 120.0° |
| C30 | C31 | N32 | H31 | 120.0° | 120.0° |
| C30 | C31 | N32 | H31A | 120.0° | 120.0° |
| C30 | C31 | H31 | H31A | 120.5° | 120.0° |
| C30 | C31 | N32 | C33 | 156.4° | 65.6° |
| C30 | C31 | N32 | C35 | 83.9° | 174.4° |
| C30 | C31 | N32 | C34 | 35.8° | 54.4° |
| O35 | C30 | H30 | H30A | 119.8° | 120.0° |
| O35 | C30 | C31 | N32 | 153.1° | 66.5° |
| O35 | C30 | C31 | H31 | 86.9° | 173.5° |
| O35 | C30 | C31 | H31A | 33.1° | 53.5° |
| H30 | C30 | C31 | N32 | 86.9° | 173.5° |
| H30 | C30 | C31 | H31 | 33.1° | 53.5° |
| H30 | C30 | C31 | H31A | 153.1° | 66.5° |
| H30A | C30 | C31 | N32 | 33.2° | 53.5° |
| H30A | C30 | C31 | H31 | 153.1° | 66.5° |
| H30A | C30 | C31 | H31A | 86.8° | 173.5° |
| N32 | C31 | H31 | H31A | 120.4° | 120.0° |
| C31 | N32 | C33 | C35 | 119.3° | 120.0° |
| C31 | N32 | C33 | C34 | 120.0° | 120.0° |
| C31 | N32 | C35 | C34 | 119.3° | 120.0° |
| C31 | N32 | C33 | H33 | 180.0° | 71.1° |
| C31 | N32 | C33 | H33A | 60.0° | 168.9° |
| C31 | N32 | C33 | H33B | 60.0° | 48.9° |
| C31 | N32 | C34 | H34 | 180.0° | 60.0° |
| C31 | N32 | C34 | H34A | 60.0° | 180.0° |
| C31 | N32 | C34 | H34B | 60.0° | 60.0° |
| C31 | N32 | C35 | H35 | 180.0° | 60.0° |
| C31 | N32 | C35 | H35A | 60.0° | 180.0° |
| C31 | N32 | C35 | H35B | 60.0° | 60.0° |
| H31 | C31 | N32 | C33 | 36.4° | 174.4° |
| H31 | C31 | N32 | C35 | 156.1° | 54.4° |
| H31 | C31 | N32 | C34 | 84.2° | 65.6° |
| H31A | C31 | N32 | C33 | 83.6° | 54.4° |
| H31A | C31 | N32 | C35 | 36.1° | 65.5° |
| H31A | C31 | N32 | C34 | 155.8° | 174.5° |
| C33 | N32 | C35 | C34 | 120.8° | 120.0° |
| N32 | C33 | H33 | H33A | 120.0° | 120.0° |
| N32 | C33 | H33 | H33B | 120.0° | 120.0° |
| N32 | C33 | H33A | H33B | 120.0° | 120.0° |
| C33 | N32 | C34 | H34 | 59.6° | 180.0° |
| C33 | N32 | C34 | H34A | 179.6° | 60.0° |
| C33 | N32 | C34 | H34B | 60.4° | 60.0° |
| C33 | N32 | C35 | H35 | 60.2° | 60.0° |
| C33 | N32 | C35 | H35A | 59.9° | 60.0° |
| C33 | N32 | C35 | H35B | 179.9° | 180.0° |
| C35 | N32 | C33 | H33 | 60.7° | 169.0° |
| C35 | N32 | C33 | H33A | 179.3° | 49.0° |
| C35 | N32 | C33 | H33B | 59.3° | 71.0° |
| C35 | N32 | C34 | H34 | 60.8° | 60.0° |
| C35 | N32 | C34 | H34A | 59.1° | 60.0° |
| C35 | N32 | C34 | H34B | 179.1° | 179.9° |
| N32 | C35 | H35 | H35A | 120.0° | 120.0° |
| N32 | C35 | H35 | H35B | 120.0° | 120.0° |
| N32 | C35 | H35A | H35B | 120.0° | 120.0° |
| C34 | N32 | C33 | H33 | 60.0° | 49.0° |
| C34 | N32 | C33 | H33A | 60.0° | 71.0° |
| C34 | N32 | C33 | H33B | 180.0° | 169.0° |
| N32 | C34 | H34 | H34A | 120.0° | 120.0° |
| N32 | C34 | H34 | H34B | 120.0° | 120.0° |
| N32 | C34 | H34A | H34B | 120.0° | 119.9° |
| C34 | N32 | C35 | H35 | 60.7° | 180.0° |
| C34 | N32 | C35 | H35A | 179.3° | 60.0° |
| C34 | N32 | C35 | H35B | 59.3° | 60.0° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.1° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
