ZTP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C40 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | P1 | sing | 1.61Å | 1.62Å | |
| O2 | P1 | doub | 1.48Å | 1.60Å | |
| P1 | O3 | sing | 1.61Å | 1.61Å | |
| P1 | O4 | sing | 1.61Å | 1.64Å | |
| C4 | C2 | doub | 1.31Å | 1.39Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| O7 | P2 | doub | 1.48Å | 1.60Å | |
| O4 | P2 | sing | 1.61Å | 1.64Å | |
| P2 | O5 | sing | 1.61Å | 1.62Å | |
| P2 | O6 | sing | 1.61Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.51Å | 1.40Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | doub | 1.31Å | 1.40Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.39Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | doub | 1.31Å | 1.39Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.39Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | doub | 1.31Å | 1.39Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.51Å | 1.39Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | doub | 1.31Å | 1.39Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.39Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C29 | doub | 1.31Å | 1.40Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.51Å | 1.39Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.51Å | 1.51Å | |
| C32 | C34 | doub | 1.31Å | 1.39Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.51Å | 1.38Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | C39 | doub | 1.31Å | 1.38Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.51Å | 1.37Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | 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 | 109.4° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | C4 | 119.7° | 120.0° |
| C1 | C2 | C3 | 118.7° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C40 | O1 | P1 | 117.3° | 123.0° |
| O1 | C40 | C39 | 109.6° | 109.5° |
| O1 | C40 | H40 | 109.5° | 109.5° |
| O1 | C40 | H40A | 109.5° | 109.4° |
| O1 | P1 | O2 | 106.6° | 109.5° |
| O1 | P1 | O3 | 105.5° | 109.4° |
| O1 | P1 | O4 | 107.7° | 109.5° |
| O2 | P1 | O3 | 110.7° | 109.5° |
| O2 | P1 | O4 | 114.1° | 109.5° |
| O3 | P1 | O4 | 111.7° | 109.5° |
| P1 | O3 | HO3 | 109.5° | 114.0° |
| P1 | O4 | P2 | 125.4° | 134.0° |
| C4 | C2 | C3 | 121.5° | 120.0° |
| C2 | C4 | C5 | 126.9° | 120.0° |
| C2 | C4 | H4 | 116.6° | 120.0° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.5° | 109.5° |
| O7 | P2 | O4 | 109.0° | 109.4° |
| O7 | P2 | O5 | 106.5° | 109.5° |
| O7 | P2 | O6 | 114.0° | 109.5° |
| O4 | P2 | O5 | 102.6° | 109.5° |
| O4 | P2 | O6 | 111.0° | 109.4° |
| O5 | P2 | O6 | 113.0° | 109.5° |
| P2 | O5 | HO5 | 109.5° | 114.0° |
| P2 | O6 | HO6 | 109.5° | 114.0° |
| H3 | C3 | H3A | 109.4° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
| C5 | C4 | H4 | 116.6° | 120.0° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.4° |
| C4 | C5 | H5A | 108.8° | 109.4° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C6 | C5 | H5A | 108.7° | 109.5° |
| C5 | C6 | C7 | 113.6° | 109.5° |
| C5 | C6 | H6 | 108.1° | 109.5° |
| C5 | C6 | H6A | 108.2° | 109.5° |
| H5 | C5 | H5A | 110.2° | 109.5° |
| C7 | C6 | H6 | 108.1° | 109.4° |
| C7 | C6 | H6A | 108.1° | 109.5° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C6 | C7 | C9 | 121.8° | 120.0° |
| H6 | C6 | H6A | 110.8° | 109.4° |
| C8 | C7 | C9 | 117.4° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.4° |
| C7 | C8 | H8B | 109.4° | 109.5° |
| C7 | C9 | C10 | 129.1° | 120.0° |
| C7 | C9 | H9 | 115.4° | 120.0° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| C10 | C9 | H9 | 115.4° | 120.0° |
| C9 | C10 | C11 | 112.3° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.5° |
| C9 | C10 | H10A | 108.5° | 109.5° |
| C11 | C10 | H10 | 108.5° | 109.4° |
| C11 | C10 | H10A | 108.5° | 109.4° |
| C10 | C11 | C12 | 112.8° | 109.5° |
| C10 | C11 | H11 | 108.3° | 109.5° |
| C10 | C11 | H11A | 108.4° | 109.5° |
| H10 | C10 | H10A | 110.4° | 109.4° |
| C12 | C11 | H11 | 108.4° | 109.5° |
| C12 | C11 | H11A | 108.4° | 109.5° |
| C11 | C12 | C13 | 119.4° | 120.0° |
| C11 | C12 | C14 | 122.3° | 120.0° |
| H11 | C11 | H11A | 110.6° | 109.4° |
| C13 | C12 | C14 | 118.3° | 120.0° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.5° | 109.5° |
| C12 | C14 | C15 | 128.6° | 120.0° |
| C12 | C14 | H14 | 115.7° | 120.0° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.4° | 109.4° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| C15 | C14 | H14 | 115.7° | 120.0° |
| C14 | C15 | C16 | 111.2° | 109.4° |
| C14 | C15 | H15 | 108.9° | 109.5° |
| C14 | C15 | H15A | 108.9° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H15A | 108.9° | 109.5° |
| C15 | C16 | C17 | 111.6° | 109.4° |
| C15 | C16 | H16 | 108.8° | 109.5° |
| C15 | C16 | H16A | 108.8° | 109.5° |
| H15 | C15 | H15A | 110.0° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.5° |
| C17 | C16 | H16A | 108.8° | 109.5° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C16 | C17 | C19 | 121.7° | 120.0° |
| H16 | C16 | H16A | 110.2° | 109.5° |
| C18 | C17 | C19 | 117.9° | 120.0° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.5° |
| C17 | C18 | H18B | 109.5° | 109.5° |
| C17 | C19 | C20 | 130.0° | 120.0° |
| C17 | C19 | H19 | 115.0° | 120.0° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| C20 | C19 | H19 | 115.0° | 120.0° |
| C19 | C20 | C21 | 110.9° | 109.4° |
| C19 | C20 | H20 | 109.0° | 109.4° |
| C19 | C20 | H20A | 109.0° | 109.4° |
| C21 | C20 | H20 | 109.0° | 109.5° |
| C21 | C20 | H20A | 109.0° | 109.5° |
| C20 | C21 | C22 | 114.9° | 109.4° |
| C20 | C21 | H21 | 107.7° | 109.5° |
| C20 | C21 | H21A | 107.7° | 109.5° |
| H20 | C20 | H20A | 109.9° | 109.5° |
| C22 | C21 | H21 | 107.7° | 109.5° |
| C22 | C21 | H21A | 107.7° | 109.5° |
| C21 | C22 | C23 | 121.7° | 120.0° |
| C21 | C22 | C24 | 121.1° | 120.0° |
| H21 | C21 | H21A | 111.2° | 109.5° |
| C23 | C22 | C24 | 117.2° | 120.0° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C22 | C23 | H23B | 109.5° | 109.5° |
| C22 | C24 | C25 | 130.2° | 120.0° |
| C22 | C24 | H24 | 114.9° | 120.0° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| C25 | C24 | H24 | 114.9° | 120.0° |
| C24 | C25 | C26 | 108.0° | 109.4° |
| C24 | C25 | H25 | 110.0° | 109.5° |
| C24 | C25 | H25A | 110.0° | 109.5° |
| C26 | C25 | H25 | 109.9° | 109.5° |
| C26 | C25 | H25A | 110.0° | 109.5° |
| C25 | C26 | C27 | 113.4° | 109.5° |
| C25 | C26 | H26 | 108.2° | 109.5° |
| C25 | C26 | H26A | 108.2° | 109.5° |
| H25 | C25 | H25A | 109.0° | 109.5° |
| C27 | C26 | H26 | 108.2° | 109.5° |
| C27 | C26 | H26A | 108.2° | 109.5° |
| C26 | C27 | C29 | 121.8° | 120.0° |
| C26 | C27 | C28 | 119.6° | 120.0° |
| H26 | C26 | H26A | 110.7° | 109.5° |
| C29 | C27 | C28 | 118.5° | 120.0° |
| C27 | C29 | C30 | 130.1° | 120.0° |
| C27 | C29 | H29 | 115.0° | 120.0° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| C27 | C28 | H28B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| C30 | C29 | H29 | 114.9° | 120.0° |
| C29 | C30 | C31 | 108.9° | 109.5° |
| C29 | C30 | H30 | 109.7° | 109.5° |
| C29 | C30 | H30A | 109.7° | 109.5° |
| C31 | C30 | H30 | 109.7° | 109.5° |
| C31 | C30 | H30A | 109.7° | 109.5° |
| C30 | C31 | C32 | 112.9° | 109.5° |
| C30 | C31 | H31 | 108.4° | 109.5° |
| C30 | C31 | H31A | 108.3° | 109.5° |
| H30 | C30 | H30A | 109.3° | 109.5° |
| C32 | C31 | H31 | 108.3° | 109.5° |
| C32 | C31 | H31A | 108.4° | 109.4° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C31 | C32 | C34 | 123.3° | 120.0° |
| H31 | C31 | H31A | 110.5° | 109.5° |
| C33 | C32 | C34 | 116.6° | 120.0° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H33A | 109.5° | 109.4° |
| C32 | C33 | H33B | 109.5° | 109.4° |
| C32 | C34 | C35 | 131.3° | 120.0° |
| C32 | C34 | H34 | 114.3° | 120.0° |
| H33 | C33 | H33A | 109.4° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| C35 | C34 | H34 | 114.4° | 120.0° |
| C34 | C35 | C36 | 106.5° | 109.5° |
| C34 | C35 | H35 | 110.5° | 109.4° |
| C34 | C35 | H35A | 110.5° | 109.5° |
| C36 | C35 | H35 | 110.5° | 109.5° |
| C36 | C35 | H35A | 110.5° | 109.5° |
| C35 | C36 | C37 | 112.8° | 109.5° |
| C35 | C36 | H36 | 108.4° | 109.5° |
| C35 | C36 | H36A | 108.4° | 109.4° |
| H35 | C35 | H35A | 108.5° | 109.4° |
| C37 | C36 | H36 | 108.4° | 109.5° |
| C37 | C36 | H36A | 108.4° | 109.5° |
| C36 | C37 | C38 | 121.1° | 120.0° |
| C36 | C37 | C39 | 121.8° | 120.0° |
| H36 | C36 | H36A | 110.6° | 109.5° |
| C38 | C37 | C39 | 117.0° | 120.0° |
| C37 | C38 | H38 | 109.5° | 109.5° |
| C37 | C38 | H38A | 109.5° | 109.4° |
| C37 | C38 | H38B | 109.5° | 109.4° |
| C37 | C39 | C40 | 127.1° | 120.0° |
| C37 | C39 | H39 | 116.5° | 120.0° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H38 | C38 | H38B | 109.4° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| C40 | C39 | H39 | 116.5° | 120.0° |
| C39 | C40 | H40 | 109.4° | 109.5° |
| C39 | C40 | H40A | 109.4° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.4° |
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 | C4 | C3 | 179.9° | 179.9° |
| C1 | C2 | C3 | H3 | 180.0° | 90.0° |
| C1 | C2 | C3 | H3A | 60.0° | 150.0° |
| C1 | C2 | C3 | H3B | 60.0° | 30.1° |
| C1 | C2 | C4 | C5 | 0.1° | 0.1° |
| C1 | C2 | C4 | H4 | 179.8° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C4 | 180.0° | 180.0° |
| H1 | C1 | C2 | C3 | 0.1° | 0.0° |
| H1A | C1 | C2 | C4 | 60.0° | 60.1° |
| H1A | C1 | C2 | C3 | 119.9° | 120.0° |
| H1B | C1 | C2 | C4 | 60.0° | 60.0° |
| H1B | C1 | C2 | C3 | 120.1° | 120.0° |
| C40 | O1 | P1 | O2 | 25.0° | 55.0° |
| C40 | O1 | P1 | O3 | 142.7° | 65.0° |
| C40 | O1 | P1 | O4 | 97.8° | 175.0° |
| O1 | C40 | C39 | C37 | 142.4° | 136.3° |
| O1 | C40 | C39 | H40 | 120.0° | 120.1° |
| O1 | C40 | C39 | H40A | 120.0° | 120.0° |
| O1 | C40 | C39 | H39 | 37.6° | 43.7° |
| O1 | C40 | H40 | H40A | 120.0° | 120.0° |
| O1 | P1 | O2 | O3 | 114.2° | 120.0° |
| O1 | P1 | O2 | O4 | 118.7° | 120.0° |
| O1 | P1 | O3 | O4 | 116.7° | 120.0° |
| O1 | P1 | O4 | P2 | 124.7° | 165.0° |
| O1 | P1 | O3 | HO3 | 114.9° | 60.0° |
| P1 | O1 | C40 | C39 | 122.4° | 180.0° |
| P1 | O1 | C40 | H40 | 117.5° | 60.0° |
| P1 | O1 | C40 | H40A | 2.4° | 60.0° |
| O2 | P1 | O3 | O4 | 128.4° | 120.0° |
| O2 | P1 | O4 | P2 | 6.6° | 45.0° |
| O2 | P1 | O3 | HO3 | 0.0° | 180.0° |
| O3 | P1 | O4 | P2 | 119.9° | 75.0° |
| P1 | O4 | P2 | O7 | 18.8° | 40.0° |
| P1 | O4 | P2 | O5 | 131.4° | 80.0° |
| P1 | O4 | P2 | O6 | 107.6° | 160.0° |
| O4 | P1 | O3 | HO3 | 128.4° | 60.0° |
| C4 | C2 | C3 | H3 | 0.1° | 90.0° |
| C4 | C2 | C3 | H3A | 119.9° | 30.0° |
| C4 | C2 | C3 | H3B | 120.1° | 150.0° |
| C2 | C4 | C5 | H4 | 180.0° | 180.0° |
| C2 | C4 | C5 | C6 | 84.7° | 125.0° |
| C2 | C4 | C5 | H5 | 35.3° | 115.0° |
| C2 | C4 | C5 | H5A | 155.3° | 4.9° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C3 | C2 | C4 | C5 | 179.8° | 180.0° |
| C3 | C2 | C4 | H4 | 0.3° | 0.0° |
| O7 | P2 | O4 | O5 | 112.7° | 120.0° |
| O7 | P2 | O4 | O6 | 126.4° | 120.0° |
| O7 | P2 | O5 | O6 | 126.0° | 120.1° |
| O7 | P2 | O5 | HO5 | 0.0° | 180.0° |
| O7 | P2 | O6 | HO6 | 0.0° | 60.0° |
| O4 | P2 | O5 | O6 | 119.6° | 120.0° |
| O4 | P2 | O5 | HO5 | 114.5° | 60.1° |
| O4 | P2 | O6 | HO6 | 123.6° | 180.0° |
| O5 | P2 | O6 | HO6 | 121.8° | 60.0° |
| O6 | P2 | O5 | HO5 | 126.0° | 59.9° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 119.1° | 119.9° |
| C4 | C5 | C6 | C7 | 135.9° | 180.0° |
| C4 | C5 | C6 | H6 | 15.9° | 60.0° |
| C4 | C5 | C6 | H6A | 104.1° | 60.0° |
| H4 | C4 | C5 | C6 | 95.3° | 55.0° |
| H4 | C4 | C5 | H5 | 144.7° | 65.0° |
| H4 | C4 | C5 | H5A | 24.7° | 175.0° |
| C6 | C5 | H5 | H5A | 119.1° | 120.1° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.1° |
| C5 | C6 | H6 | H6A | 118.3° | 120.0° |
| C5 | C6 | C7 | C8 | 19.6° | 86.6° |
| C5 | C6 | C7 | C9 | 161.7° | 93.4° |
| H5 | C5 | C6 | C7 | 104.1° | 60.1° |
| H5 | C5 | C6 | H6 | 135.9° | 180.0° |
| H5 | C5 | C6 | H6A | 15.9° | 60.0° |
| H5A | C5 | C6 | C7 | 15.9° | 60.0° |
| H5A | C5 | C6 | H6 | 104.1° | 60.0° |
| H5A | C5 | C6 | H6A | 135.9° | 180.0° |
| C7 | C6 | H6 | H6A | 118.3° | 120.0° |
| C6 | C7 | C8 | C9 | 178.8° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 90.1° |
| C6 | C7 | C8 | H8A | 60.0° | 150.0° |
| C6 | C7 | C8 | H8B | 60.0° | 30.0° |
| C6 | C7 | C9 | C10 | 0.3° | 6.3° |
| C6 | C7 | C9 | H9 | 179.7° | 173.7° |
| H6 | C6 | C7 | C8 | 139.6° | 33.4° |
| H6 | C6 | C7 | C9 | 41.7° | 146.6° |
| H6A | C6 | C7 | C8 | 100.4° | 153.3° |
| H6A | C6 | C7 | C9 | 78.3° | 26.7° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.1° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | C7 | C9 | C10 | 178.4° | 173.7° |
| C8 | C7 | C9 | H9 | 1.6° | 6.3° |
| C9 | C7 | C8 | H8 | 1.3° | 90.0° |
| C9 | C7 | C8 | H8A | 118.8° | 30.0° |
| C9 | C7 | C8 | H8B | 121.2° | 150.0° |
| C7 | C9 | C10 | H9 | 180.0° | 180.0° |
| C7 | C9 | C10 | C11 | 102.6° | 125.4° |
| C7 | C9 | C10 | H10 | 17.4° | 114.6° |
| C7 | C9 | C10 | H10A | 137.4° | 5.4° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.1° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 118.8° | 120.0° |
| C9 | C10 | C11 | C12 | 75.7° | NaN° |
| C9 | C10 | C11 | H11 | 164.3° | 59.9° |
| C9 | C10 | C11 | H11A | 44.3° | 60.0° |
| H9 | C9 | C10 | C11 | 77.4° | 54.6° |
| H9 | C9 | C10 | H10 | 162.6° | 65.4° |
| H9 | C9 | C10 | H10A | 42.6° | 174.6° |
| C11 | C10 | H10 | H10A | 118.8° | 119.9° |
| C10 | C11 | C12 | H11 | 120.0° | 120.1° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 118.6° | 120.0° |
| C10 | C11 | C12 | C13 | 96.6° | 86.6° |
| C10 | C11 | C12 | C14 | 84.8° | 93.3° |
| H10 | C10 | C11 | C12 | 44.3° | 59.9° |
| H10 | C10 | C11 | H11 | 75.7° | 180.0° |
| H10 | C10 | C11 | H11A | 164.3° | 60.1° |
| H10A | C10 | C11 | C12 | 164.3° | 60.0° |
| H10A | C10 | C11 | H11 | 44.3° | 60.1° |
| H10A | C10 | C11 | H11A | 75.7° | 180.0° |
| C12 | C11 | H11 | H11A | 118.6° | 120.0° |
| C11 | C12 | C13 | C14 | 178.7° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 90.0° |
| C11 | C12 | C13 | H13A | 60.0° | 150.0° |
| C11 | C12 | C13 | H13B | 60.0° | 29.9° |
| C11 | C12 | C14 | C15 | 1.2° | 6.3° |
| C11 | C12 | C14 | H14 | 178.8° | 173.7° |
| H11 | C11 | C12 | C13 | 143.4° | 33.4° |
| H11 | C11 | C12 | C14 | 35.2° | 146.6° |
| H11A | C11 | C12 | C13 | 23.4° | 153.4° |
| H11A | C11 | C12 | C14 | 155.2° | 26.7° |
| C12 | C13 | H13 | H13A | 120.0° | 120.1° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C12 | C14 | C15 | 179.8° | 173.7° |
| C13 | C12 | C14 | H14 | 0.1° | 6.3° |
| C14 | C12 | C13 | H13 | 1.4° | 90.0° |
| C14 | C12 | C13 | H13A | 118.7° | 30.0° |
| C14 | C12 | C13 | H13B | 121.3° | 150.0° |
| C12 | C14 | C15 | H14 | 180.0° | 180.0° |
| C12 | C14 | C15 | C16 | 177.7° | 125.4° |
| C12 | C14 | C15 | H15 | 57.7° | 114.6° |
| C12 | C14 | C15 | H15A | 62.3° | 5.4° |
| H13 | C13 | H13A | H13B | 120.0° | 119.9° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.2° | 120.0° |
| C14 | C15 | C16 | C17 | 93.6° | NaN° |
| C14 | C15 | C16 | H16 | 26.4° | 60.0° |
| C14 | C15 | C16 | H16A | 146.3° | 60.0° |
| H14 | C14 | C15 | C16 | 2.3° | 54.6° |
| H14 | C14 | C15 | H15 | 122.3° | 65.4° |
| H14 | C14 | C15 | H15A | 117.7° | 174.6° |
| C16 | C15 | H15 | H15A | 119.3° | 120.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 119.1° | 120.0° |
| C15 | C16 | C17 | C18 | 53.0° | 85.8° |
| C15 | C16 | C17 | C19 | 127.4° | 94.2° |
| H15 | C15 | C16 | C17 | 146.4° | 60.0° |
| H15 | C15 | C16 | H16 | 93.6° | 179.9° |
| H15 | C15 | C16 | H16A | 26.3° | 60.0° |
| H15A | C15 | C16 | C17 | 26.4° | 60.0° |
| H15A | C15 | C16 | H16 | 146.4° | 60.0° |
| H15A | C15 | C16 | H16A | 93.6° | 180.0° |
| C17 | C16 | H16 | H16A | 119.1° | 120.0° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 90.0° |
| C16 | C17 | C18 | H18A | 60.0° | 150.0° |
| C16 | C17 | C18 | H18B | 60.0° | 30.0° |
| C16 | C17 | C19 | C20 | 1.3° | 6.5° |
| C16 | C17 | C19 | H19 | 178.7° | 173.5° |
| H16 | C16 | C17 | C18 | 67.1° | 34.2° |
| H16 | C16 | C17 | C19 | 112.6° | 145.8° |
| H16A | C16 | C17 | C18 | 173.0° | 154.2° |
| H16A | C16 | C17 | C19 | 7.4° | 25.8° |
| C17 | C18 | H18 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18B | 120.0° | 120.0° |
| C17 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C17 | C19 | C20 | 178.4° | 173.5° |
| C18 | C17 | C19 | H19 | 1.7° | 6.5° |
| C19 | C17 | C18 | H18 | 0.4° | 90.0° |
| C19 | C17 | C18 | H18A | 120.4° | 30.0° |
| C19 | C17 | C18 | H18B | 119.6° | 150.0° |
| C17 | C19 | C20 | H19 | 180.0° | 180.0° |
| C17 | C19 | C20 | C21 | 168.3° | 125.7° |
| C17 | C19 | C20 | H20 | 71.7° | 114.3° |
| C17 | C19 | C20 | H20A | 48.3° | 5.7° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 119.4° | 119.9° |
| C19 | C20 | C21 | C22 | 76.0° | 180.0° |
| C19 | C20 | C21 | H21 | 164.0° | 60.0° |
| C19 | C20 | C21 | H21A | 44.0° | 60.0° |
| H19 | C19 | C20 | C21 | 11.7° | 54.3° |
| H19 | C19 | C20 | H20 | 108.3° | 65.7° |
| H19 | C19 | C20 | H20A | 131.7° | 174.4° |
| C21 | C20 | H20 | H20A | 119.4° | 120.1° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21A | 117.8° | 120.0° |
| C20 | C21 | C22 | C23 | 12.3° | 85.9° |
| C20 | C21 | C22 | C24 | 167.9° | 94.0° |
| H20 | C20 | C21 | C22 | 44.0° | 60.0° |
| H20 | C20 | C21 | H21 | 76.0° | 180.0° |
| H20 | C20 | C21 | H21A | 164.0° | 59.9° |
| H20A | C20 | C21 | C22 | 164.0° | 60.0° |
| H20A | C20 | C21 | H21 | 44.0° | 59.9° |
| H20A | C20 | C21 | H21A | 76.0° | 180.0° |
| C22 | C21 | H21 | H21A | 117.8° | 120.0° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C21 | C22 | C23 | H23 | 180.0° | 90.0° |
| C21 | C22 | C23 | H23A | 60.0° | 150.0° |
| C21 | C22 | C23 | H23B | 60.0° | 30.0° |
| C21 | C22 | C24 | C25 | 1.2° | 5.9° |
| C21 | C22 | C24 | H24 | 178.8° | 174.0° |
| H21 | C21 | C22 | C23 | 132.3° | 34.1° |
| H21 | C21 | C22 | C24 | 48.0° | 146.0° |
| H21A | C21 | C22 | C23 | 107.7° | 154.1° |
| H21A | C21 | C22 | C24 | 72.1° | 25.9° |
| C22 | C23 | H23 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23B | 120.0° | 120.0° |
| C22 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C22 | C24 | C25 | 178.6° | 174.0° |
| C23 | C22 | C24 | H24 | 1.4° | 6.1° |
| C24 | C22 | C23 | H23 | 0.2° | 90.1° |
| C24 | C22 | C23 | H23A | 119.8° | 30.0° |
| C24 | C22 | C23 | H23B | 120.3° | 149.9° |
| C22 | C24 | C25 | H24 | 180.0° | 179.9° |
| C22 | C24 | C25 | C26 | 132.2° | 126.4° |
| C22 | C24 | C25 | H25 | 107.8° | 113.6° |
| C22 | C24 | C25 | H25A | 12.2° | 6.4° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 120.6° | 120.0° |
| C24 | C25 | C26 | C27 | 152.0° | 180.0° |
| C24 | C25 | C26 | H26 | 88.0° | 60.0° |
| C24 | C25 | C26 | H26A | 32.0° | 60.0° |
| H24 | C24 | C25 | C26 | 47.8° | 53.7° |
| H24 | C24 | C25 | H25 | 72.2° | 66.3° |
| H24 | C24 | C25 | H25A | 167.8° | 173.7° |
| C26 | C25 | H25 | H25A | 120.6° | 120.0° |
| C25 | C26 | C27 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 118.4° | 120.0° |
| C25 | C26 | C27 | C29 | 121.9° | 93.5° |
| C25 | C26 | C27 | C28 | 61.5° | 86.6° |
| H25 | C25 | C26 | C27 | 32.0° | 60.0° |
| H25 | C25 | C26 | H26 | 152.0° | 180.0° |
| H25 | C25 | C26 | H26A | 88.0° | 60.0° |
| H25A | C25 | C26 | C27 | 87.9° | 60.0° |
| H25A | C25 | C26 | H26 | 32.1° | 60.0° |
| H25A | C25 | C26 | H26A | 152.0° | 180.0° |
| C27 | C26 | H26 | H26A | 118.4° | 120.0° |
| C26 | C27 | C29 | C28 | 176.7° | 180.0° |
| C26 | C27 | C28 | H28 | 180.0° | 90.0° |
| C26 | C27 | C28 | H28A | 60.0° | 150.0° |
| C26 | C27 | C28 | H28B | 60.0° | 30.0° |
| C26 | C27 | C29 | C30 | 1.4° | 6.5° |
| C26 | C27 | C29 | H29 | 178.6° | 173.5° |
| H26 | C26 | C27 | C29 | 118.1° | 146.6° |
| H26 | C26 | C27 | C28 | 58.5° | 33.4° |
| H26A | C26 | C27 | C29 | 1.9° | 26.6° |
| H26A | C26 | C27 | C28 | 178.5° | 153.4° |
| C29 | C27 | C28 | H28 | 3.3° | 90.0° |
| C29 | C27 | C28 | H28A | 123.2° | 30.0° |
| C29 | C27 | C28 | H28B | 116.7° | 150.0° |
| C27 | C29 | C30 | H29 | 180.0° | 180.0° |
| C27 | C29 | C30 | C31 | 169.1° | 126.9° |
| C27 | C29 | C30 | H30 | 71.0° | 113.1° |
| C27 | C29 | C30 | H30A | 49.1° | 6.9° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 120.0° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C28 | C27 | C29 | C30 | 178.1° | 173.5° |
| C28 | C27 | C29 | H29 | 1.9° | 6.5° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| C29 | C30 | C31 | H30 | 120.0° | 120.0° |
| C29 | C30 | C31 | H30A | 120.0° | 120.0° |
| C29 | C30 | H30 | H30A | 120.3° | 120.0° |
| C29 | C30 | C31 | C32 | 136.7° | NaN° |
| C29 | C30 | C31 | H31 | 103.3° | 60.0° |
| C29 | C30 | C31 | H31A | 16.7° | 60.0° |
| H29 | C29 | C30 | C31 | 10.9° | 53.1° |
| H29 | C29 | C30 | H30 | 109.0° | 67.0° |
| H29 | C29 | C30 | H30A | 130.9° | 173.1° |
| C31 | C30 | H30 | H30A | 120.2° | 120.0° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 120.0° | 120.0° |
| C30 | C31 | H31 | H31A | 118.6° | 120.0° |
| C30 | C31 | C32 | C33 | 62.3° | 86.7° |
| C30 | C31 | C32 | C34 | 119.5° | 93.4° |
| H30 | C30 | C31 | C32 | 16.7° | 60.0° |
| H30 | C30 | C31 | H31 | 136.8° | 180.0° |
| H30 | C30 | C31 | H31A | 103.3° | 60.0° |
| H30A | C30 | C31 | C32 | 103.3° | 60.0° |
| H30A | C30 | C31 | H31 | 16.7° | 60.0° |
| H30A | C30 | C31 | H31A | 136.7° | 180.0° |
| C32 | C31 | H31 | H31A | 118.6° | 119.9° |
| C31 | C32 | C33 | C34 | 178.3° | 180.0° |
| C31 | C32 | C33 | H33 | 180.0° | 90.0° |
| C31 | C32 | C33 | H33A | 60.0° | 150.0° |
| C31 | C32 | C33 | H33B | 60.0° | 30.0° |
| C31 | C32 | C34 | C35 | 0.7° | 6.4° |
| C31 | C32 | C34 | H34 | 179.3° | 173.7° |
| H31 | C31 | C32 | C33 | 57.7° | 33.4° |
| H31 | C31 | C32 | C34 | 120.5° | 146.6° |
| H31A | C31 | C32 | C33 | 177.7° | 153.3° |
| H31A | C31 | C32 | C34 | 0.6° | 26.7° |
| C32 | C33 | H33 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H33B | 120.0° | 119.9° |
| C32 | C33 | H33A | H33B | 120.0° | 119.9° |
| C33 | C32 | C34 | C35 | 178.9° | 173.7° |
| C33 | C32 | C34 | H34 | 1.0° | 6.2° |
| C34 | C32 | C33 | H33 | 1.7° | 90.0° |
| C34 | C32 | C33 | H33A | 121.7° | 30.1° |
| C34 | C32 | C33 | H33B | 118.3° | 150.0° |
| C32 | C34 | C35 | H34 | 180.0° | 179.9° |
| C32 | C34 | C35 | C36 | 165.4° | 125.4° |
| C32 | C34 | C35 | H35 | 74.6° | 114.6° |
| C32 | C34 | C35 | H35A | 45.4° | 5.3° |
| H33 | C33 | H33A | H33B | 120.0° | 120.1° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | H35A | 120.0° | 120.1° |
| C34 | C35 | H35 | H35A | 121.2° | 120.0° |
| C34 | C35 | C36 | C37 | 178.1° | 180.0° |
| C34 | C35 | C36 | H36 | 61.9° | 60.0° |
| C34 | C35 | C36 | H36A | 58.1° | 60.0° |
| H34 | C34 | C35 | C36 | 14.6° | 54.5° |
| H34 | C34 | C35 | H35 | 105.4° | 65.5° |
| H34 | C34 | C35 | H35A | 134.6° | 174.6° |
| C36 | C35 | H35 | H35A | 121.2° | 120.0° |
| C35 | C36 | C37 | H36 | 120.0° | 120.0° |
| C35 | C36 | C37 | H36A | 120.0° | 119.9° |
| C35 | C36 | H36 | H36A | 118.6° | 120.0° |
| C35 | C36 | C37 | C38 | 51.3° | 85.9° |
| C35 | C36 | C37 | C39 | 132.3° | 94.1° |
| H35 | C35 | C36 | C37 | 58.1° | 60.0° |
| H35 | C35 | C36 | H36 | 178.1° | 180.0° |
| H35 | C35 | C36 | H36A | 61.9° | 60.0° |
| H35A | C35 | C36 | C37 | 61.9° | 60.0° |
| H35A | C35 | C36 | H36 | 58.1° | 60.1° |
| H35A | C35 | C36 | H36A | 178.1° | 179.9° |
| C37 | C36 | H36 | H36A | 118.7° | 120.0° |
| C36 | C37 | C38 | C39 | 176.5° | 180.0° |
| C36 | C37 | C38 | H38 | 180.0° | 90.0° |
| C36 | C37 | C38 | H38A | 60.0° | 150.0° |
| C36 | C37 | C38 | H38B | 60.0° | 30.0° |
| C36 | C37 | C39 | C40 | 3.2° | 6.0° |
| C36 | C37 | C39 | H39 | 176.8° | 174.0° |
| H36 | C36 | C37 | C38 | 68.6° | 34.1° |
| H36 | C36 | C37 | C39 | 107.7° | 145.9° |
| H36A | C36 | C37 | C38 | 171.3° | 154.1° |
| H36A | C36 | C37 | C39 | 12.3° | 25.8° |
| C37 | C38 | H38 | H38A | 120.0° | 120.0° |
| C37 | C38 | H38 | H38B | 120.0° | 120.0° |
| C37 | C38 | H38A | H38B | 120.0° | 119.9° |
| C38 | C37 | C39 | C40 | 179.7° | 174.0° |
| C38 | C37 | C39 | H39 | 0.3° | 5.9° |
| C39 | C37 | C38 | H38 | 3.5° | 90.0° |
| C39 | C37 | C38 | H38A | 123.5° | 30.0° |
| C39 | C37 | C38 | H38B | 116.5° | 150.0° |
| C37 | C39 | C40 | H39 | 180.0° | 180.0° |
| C37 | C39 | C40 | H40 | 22.4° | 16.2° |
| C37 | C39 | C40 | H40A | 97.5° | 103.8° |
| H38 | C38 | H38A | H38B | 120.0° | 120.1° |
| C39 | C40 | H40 | H40A | 119.9° | 120.0° |
| H39 | C39 | C40 | H40 | 157.6° | 163.8° |
| H39 | C39 | C40 | H40A | 82.5° | 76.3° |
