C40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O6 | sing | 1.43Å | 1.42Å | |
| O6 | C7 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.41Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C13 | N15 | sing | 1.35Å | 1.31Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.47Å | |
| N21 | C20 | sing | 1.47Å | 1.44Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.47Å | |
| C25 | C27 | sing | 1.51Å | 1.49Å | |
| C27 | O28 | doub | 1.21Å | 1.23Å | |
| C27 | N29 | sing | 1.35Å | 1.32Å | |
| C30 | N29 | sing | 1.47Å | 1.45Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N21 | H211 | sing | 1.01Å | 1.00Å | |
| N21 | H212 | sing | 1.01Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| N29 | H29 | sing | 0.97Å | 1.00Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 100.9° | 114.0° |
| O2 | C1 | H1C1 | 109.5° | 109.5° |
| O2 | C1 | H1C2 | 109.4° | 109.5° |
| O2 | C1 | H1C3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 107.7° | 109.4° |
| O2 | C3 | H3C1 | 110.1° | 109.6° |
| O2 | C3 | H3C2 | 110.5° | 109.5° |
| C3 | C4 | C5 | 101.0° | 109.5° |
| C4 | C3 | H3C1 | 110.1° | 109.5° |
| C4 | C3 | H3C2 | 110.5° | 109.5° |
| C3 | C4 | H4C1 | 112.4° | 109.5° |
| C3 | C4 | H4C2 | 114.1° | 109.5° |
| C4 | C5 | O6 | 114.2° | 109.5° |
| C5 | C4 | H4C1 | 112.4° | 109.4° |
| C5 | C4 | H4C2 | 114.2° | 109.5° |
| C4 | C5 | H5C1 | 108.0° | 109.4° |
| C4 | C5 | H5C2 | 106.8° | 109.4° |
| C5 | O6 | C7 | 120.5° | 117.0° |
| O6 | C5 | H5C1 | 107.9° | 109.5° |
| O6 | C5 | H5C2 | 106.8° | 109.5° |
| O6 | C7 | C8 | 114.1° | 120.2° |
| O6 | C7 | C12 | 126.4° | 120.1° |
| C7 | C8 | C9 | 122.2° | 120.1° |
| C8 | C7 | C12 | 118.9° | 119.7° |
| C7 | C8 | H8 | 118.9° | 120.0° |
| C8 | C9 | C10 | 118.6° | 120.4° |
| C9 | C8 | H8 | 118.9° | 119.9° |
| C8 | C9 | H9 | 120.7° | 119.8° |
| C9 | C10 | C11 | 120.5° | 120.3° |
| C10 | C9 | H9 | 120.7° | 119.8° |
| C9 | C10 | H10 | 119.7° | 119.9° |
| C10 | C11 | C12 | 121.7° | 119.9° |
| C11 | C10 | H10 | 119.7° | 119.8° |
| C10 | C11 | H11 | 119.2° | 120.0° |
| C7 | C12 | C11 | 118.1° | 119.6° |
| C7 | C12 | C13 | 121.1° | 120.2° |
| C11 | C12 | C13 | 120.8° | 120.2° |
| C12 | C11 | H11 | 119.1° | 120.0° |
| C12 | C13 | O14 | 119.1° | 120.0° |
| C12 | C13 | N15 | 121.1° | 119.9° |
| O14 | C13 | N15 | 116.6° | 120.0° |
| C13 | N15 | C16 | 119.5° | 120.0° |
| C13 | N15 | H15 | 120.3° | 120.1° |
| N15 | C16 | C17 | 105.8° | 109.5° |
| C16 | N15 | H15 | 120.3° | 119.9° |
| N15 | C16 | H161 | 110.7° | 109.4° |
| N15 | C16 | H162 | 111.5° | 109.5° |
| C16 | C17 | C18 | 113.4° | 109.5° |
| C16 | C17 | C19 | 108.5° | 109.5° |
| C17 | C16 | H161 | 110.7° | 109.4° |
| C17 | C16 | H162 | 111.5° | 109.5° |
| C16 | C17 | H17 | 106.9° | 109.5° |
| C18 | C17 | C19 | 107.9° | 109.5° |
| C18 | C17 | H17 | 107.6° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C19 | C20 | 116.4° | 109.5° |
| C19 | C17 | H17 | 112.5° | 109.4° |
| C17 | C19 | H191 | 107.2° | 109.4° |
| C17 | C19 | H192 | 105.7° | 109.5° |
| C19 | C20 | N21 | 111.8° | 109.4° |
| C19 | C20 | C22 | 106.0° | 109.5° |
| C20 | C19 | H191 | 107.2° | 109.4° |
| C20 | C19 | H192 | 105.6° | 109.5° |
| C19 | C20 | H20 | 110.1° | 109.5° |
| N21 | C20 | C22 | 109.2° | 109.5° |
| N21 | C20 | H20 | 107.0° | 109.5° |
| C20 | N21 | H211 | 109.5° | 111.0° |
| C20 | N21 | H212 | 109.5° | 111.0° |
| C20 | C22 | O23 | 99.7° | 109.5° |
| C20 | C22 | C24 | 115.9° | 109.5° |
| C22 | C20 | H20 | 112.7° | 109.4° |
| C20 | C22 | H22 | 111.8° | 109.5° |
| O23 | C22 | C24 | 109.3° | 109.5° |
| O23 | C22 | H22 | 118.1° | 109.5° |
| C22 | O23 | H23 | 109.5° | 114.0° |
| C22 | C24 | C25 | 114.6° | 109.5° |
| C24 | C22 | H22 | 102.7° | 109.5° |
| C22 | C24 | H241 | 107.8° | 109.5° |
| C22 | C24 | H242 | 106.6° | 109.5° |
| C24 | C25 | C26 | 112.1° | 109.5° |
| C24 | C25 | C27 | 115.4° | 109.4° |
| C25 | C24 | H241 | 107.8° | 109.4° |
| C25 | C24 | H242 | 106.6° | 109.5° |
| C24 | C25 | H25 | 101.8° | 109.5° |
| C26 | C25 | C27 | 104.3° | 109.4° |
| C26 | C25 | H25 | 113.5° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.4° |
| C25 | C26 | H262 | 109.4° | 109.4° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C25 | C27 | O28 | 120.2° | 120.0° |
| C25 | C27 | N29 | 116.7° | 120.0° |
| C27 | C25 | H25 | 110.0° | 109.5° |
| O28 | C27 | N29 | 123.1° | 120.0° |
| C27 | N29 | C30 | 121.1° | 120.0° |
| C27 | N29 | H29 | 119.4° | 120.0° |
| N29 | C30 | C31 | 111.8° | 109.4° |
| C30 | N29 | H29 | 119.5° | 120.0° |
| N29 | C30 | H301 | 108.7° | 109.4° |
| N29 | C30 | H302 | 108.2° | 109.4° |
| C30 | C31 | C32 | 113.0° | 109.5° |
| C31 | C30 | H301 | 108.7° | 109.5° |
| C31 | C30 | H302 | 108.1° | 109.5° |
| C30 | C31 | H311 | 108.3° | 109.5° |
| C30 | C31 | H312 | 107.5° | 109.5° |
| C31 | C32 | C33 | 110.8° | 109.5° |
| C32 | C31 | H311 | 108.3° | 109.4° |
| C32 | C31 | H312 | 107.5° | 109.4° |
| C31 | C32 | H321 | 109.1° | 109.5° |
| C31 | C32 | H322 | 108.7° | 109.4° |
| C33 | C32 | H321 | 109.0° | 109.5° |
| C33 | C32 | H322 | 108.7° | 109.4° |
| C32 | C33 | H331 | 109.5° | 109.5° |
| C32 | C33 | H332 | 109.5° | 109.4° |
| C32 | C33 | H333 | 109.5° | 109.5° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.4° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| H3C1 | C3 | H3C2 | 108.1° | 109.4° |
| H4C1 | C4 | H4C2 | 103.1° | 109.5° |
| H5C1 | C5 | H5C2 | 113.3° | 109.5° |
| H161 | C16 | H162 | 106.6° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | C19 | H192 | 115.1° | 109.5° |
| H211 | N21 | H212 | 109.5° | 111.0° |
| H241 | C24 | H242 | 113.6° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H301 | C30 | H302 | 111.3° | 109.5° |
| H311 | C31 | H312 | 112.3° | 109.5° |
| H321 | C32 | H322 | 110.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.4° | 109.5° |
| H332 | C33 | H333 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 114.1° | 180.0° |
| O2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| O2 | C1 | H1C1 | H1C3 | 120.0° | 119.9° |
| O2 | C1 | H1C2 | H1C3 | 120.0° | 119.9° |
| C1 | O2 | C3 | H3C1 | 125.9° | 59.9° |
| C1 | O2 | C3 | H3C2 | 6.6° | 60.1° |
| O2 | C3 | C4 | H3C1 | 120.0° | 120.1° |
| O2 | C3 | C4 | H3C2 | 120.7° | 119.9° |
| O2 | C3 | C4 | C5 | 153.0° | 179.9° |
| C3 | O2 | C1 | H1C1 | 45.7° | 59.9° |
| C3 | O2 | C1 | H1C2 | 165.7° | 180.0° |
| C3 | O2 | C1 | H1C3 | 74.2° | 60.1° |
| O2 | C3 | H3C1 | H3C2 | 120.7° | 120.0° |
| O2 | C3 | C4 | H4C1 | 87.0° | 60.0° |
| O2 | C3 | C4 | H4C2 | 30.0° | 60.1° |
| C3 | C4 | C5 | H4C1 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4C2 | 123.0° | 120.0° |
| C3 | C4 | C5 | O6 | 167.2° | 180.0° |
| C4 | C3 | H3C1 | H3C2 | 120.7° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 123.4° | 120.0° |
| C3 | C4 | C5 | H5C1 | 72.8° | 60.0° |
| C3 | C4 | C5 | H5C2 | 49.3° | 60.0° |
| C4 | C5 | O6 | H5C1 | 120.0° | 119.9° |
| C4 | C5 | O6 | H5C2 | 117.9° | 120.0° |
| C4 | C5 | O6 | C7 | 147.4° | 180.0° |
| C5 | C4 | C3 | H3C1 | 33.0° | 60.0° |
| C5 | C4 | C3 | H3C2 | 86.3° | 60.0° |
| C5 | C4 | H4C1 | H4C2 | 123.4° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 118.1° | 119.9° |
| C5 | O6 | C7 | C8 | 59.5° | 0.0° |
| C5 | O6 | C7 | C12 | 111.6° | 179.7° |
| O6 | C5 | C4 | H4C1 | 47.2° | 60.0° |
| O6 | C5 | C4 | H4C2 | 69.8° | 60.0° |
| O6 | C5 | H5C1 | H5C2 | 118.0° | 120.1° |
| O6 | C7 | C8 | C12 | 171.8° | 179.7° |
| O6 | C7 | C8 | C9 | 172.0° | 180.0° |
| O6 | C7 | C12 | C11 | 170.2° | 179.7° |
| O6 | C7 | C12 | C13 | 9.7° | 0.0° |
| C7 | O6 | C5 | H5C1 | 27.4° | 60.1° |
| C7 | O6 | C5 | H5C2 | 94.7° | 60.0° |
| O6 | C7 | C8 | H8 | 8.0° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.0° |
| C8 | C7 | C12 | C11 | 0.6° | 0.6° |
| C8 | C7 | C12 | C13 | 179.5° | 179.7° |
| C7 | C8 | C9 | H9 | 179.4° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C7 | C12 | 0.2° | 0.3° |
| C8 | C9 | C10 | H10 | 179.7° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | C9 | C8 | H8 | 179.4° | 180.0° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C10 | C11 | C12 | C7 | 0.9° | 0.6° |
| C10 | C11 | C12 | H11 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 179.2° | 179.7° |
| C11 | C10 | C9 | H9 | 179.8° | 179.9° |
| C7 | C12 | C11 | C13 | 179.9° | 179.7° |
| C7 | C12 | C13 | O14 | 122.6° | 0.0° |
| C7 | C12 | C13 | N15 | 36.2° | 180.0° |
| C12 | C7 | C8 | H8 | 179.8° | 179.7° |
| C7 | C12 | C11 | H11 | 179.1° | 179.8° |
| C11 | C12 | C13 | O14 | 57.5° | 179.7° |
| C11 | C12 | C13 | N15 | 143.7° | 0.3° |
| C12 | C11 | C10 | H10 | 179.5° | 179.8° |
| C12 | C13 | O14 | N15 | 159.7° | 180.0° |
| C12 | C13 | N15 | C16 | 149.6° | 180.0° |
| C13 | C12 | C11 | H11 | 0.8° | 0.1° |
| C12 | C13 | N15 | H15 | 30.4° | 0.0° |
| O14 | C13 | N15 | C16 | 9.7° | 0.0° |
| O14 | C13 | N15 | H15 | 170.4° | 180.0° |
| C13 | N15 | C16 | H15 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 139.0° | 180.0° |
| C13 | N15 | C16 | H161 | 101.0° | 60.0° |
| C13 | N15 | C16 | H162 | 17.6° | 60.0° |
| N15 | C16 | C17 | H161 | 120.0° | 119.9° |
| N15 | C16 | C17 | H162 | 121.4° | 120.1° |
| N15 | C16 | C17 | C18 | 29.9° | 65.0° |
| N15 | C16 | C17 | C19 | 149.8° | 175.0° |
| N15 | C16 | H161 | H162 | 121.5° | 120.0° |
| N15 | C16 | C17 | H17 | 88.6° | 55.0° |
| C16 | C17 | C18 | C19 | 120.2° | 120.1° |
| C16 | C17 | C18 | H17 | 118.1° | 120.0° |
| C16 | C17 | C19 | H17 | 118.2° | 120.0° |
| C16 | C17 | C19 | C20 | 59.0° | 64.4° |
| C17 | C16 | N15 | H15 | 41.0° | 0.0° |
| C17 | C16 | H161 | H162 | 121.5° | 120.0° |
| C16 | C17 | C18 | H181 | 3.6° | 64.7° |
| C16 | C17 | C18 | H182 | 123.6° | 55.3° |
| C16 | C17 | C18 | H183 | 116.5° | 175.4° |
| C16 | C17 | C19 | H191 | 61.0° | 55.5° |
| C16 | C17 | C19 | H192 | 175.8° | 175.5° |
| C18 | C17 | C19 | H17 | 118.6° | 119.9° |
| C18 | C17 | C19 | C20 | 177.8° | 175.5° |
| C18 | C17 | C16 | H161 | 149.9° | 175.1° |
| C18 | C17 | C16 | H162 | 91.5° | 55.1° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.1° |
| C18 | C17 | C19 | H191 | 62.2° | 64.5° |
| C18 | C17 | C19 | H192 | 61.0° | 55.5° |
| C17 | C19 | C20 | H191 | 120.0° | 120.0° |
| C17 | C19 | C20 | H192 | 116.8° | 120.1° |
| C17 | C19 | C20 | N21 | 46.5° | 65.3° |
| C17 | C19 | C20 | C22 | 165.4° | 174.7° |
| C19 | C17 | C16 | H161 | 90.2° | 55.0° |
| C19 | C17 | C16 | H162 | 28.3° | 65.0° |
| C19 | C17 | C18 | H181 | 123.8° | 55.4° |
| C19 | C17 | C18 | H182 | 116.2° | 175.4° |
| C19 | C17 | C18 | H183 | 3.8° | 64.6° |
| C17 | C19 | H191 | H192 | 117.2° | 120.0° |
| C17 | C19 | C20 | H20 | 72.4° | 54.7° |
| C19 | C20 | N21 | C22 | 117.0° | 120.0° |
| C19 | C20 | N21 | H20 | 120.7° | 120.0° |
| C19 | C20 | C22 | H20 | 120.5° | 120.0° |
| C19 | C20 | C22 | O23 | 90.7° | 60.0° |
| C19 | C20 | C22 | C24 | 152.2° | 180.0° |
| C20 | C19 | C17 | H17 | 59.2° | 55.6° |
| C20 | C19 | H191 | H192 | 117.1° | 120.0° |
| C19 | C20 | N21 | H211 | 77.5° | 62.1° |
| C19 | C20 | N21 | H212 | 42.5° | 61.8° |
| C19 | C20 | C22 | H22 | 35.0° | 60.0° |
| N21 | C20 | C22 | H20 | 118.8° | 120.1° |
| N21 | C20 | C22 | O23 | 29.9° | 60.0° |
| N21 | C20 | C22 | C24 | 87.1° | 60.0° |
| N21 | C20 | C19 | H191 | 166.5° | 174.8° |
| N21 | C20 | C19 | H192 | 70.3° | 54.8° |
| C20 | N21 | H211 | H212 | 120.0° | 124.0° |
| N21 | C20 | C22 | H22 | 155.6° | 180.0° |
| C20 | C22 | O23 | C24 | 121.9° | 120.0° |
| C20 | C22 | O23 | H22 | 121.3° | 120.0° |
| C20 | C22 | C24 | H22 | 122.2° | 120.0° |
| C20 | C22 | C24 | C25 | 167.9° | 175.1° |
| C22 | C20 | C19 | H191 | 74.6° | 54.7° |
| C22 | C20 | C19 | H192 | 48.6° | 65.2° |
| C22 | C20 | N21 | H211 | 39.5° | 57.8° |
| C22 | C20 | N21 | H212 | 159.6° | 178.2° |
| C20 | C22 | O23 | H23 | 9.4° | 60.0° |
| C20 | C22 | C24 | H241 | 47.9° | 64.9° |
| C20 | C22 | C24 | H242 | 74.4° | 55.1° |
| O23 | C22 | C24 | H22 | 126.2° | 120.0° |
| O23 | C22 | C24 | C25 | 56.3° | 64.9° |
| O23 | C22 | C20 | H20 | 148.7° | 180.0° |
| O23 | C22 | C24 | H241 | 63.7° | 55.0° |
| O23 | C22 | C24 | H242 | 174.0° | 175.0° |
| C22 | C24 | C25 | H241 | 120.0° | 120.0° |
| C22 | C24 | C25 | H242 | 117.7° | 120.1° |
| C22 | C24 | C25 | C26 | 164.4° | 173.8° |
| C22 | C24 | C25 | C27 | 76.4° | 66.2° |
| C24 | C22 | C20 | H20 | 31.7° | 60.0° |
| C24 | C22 | O23 | H23 | 131.3° | 60.0° |
| C22 | C24 | H241 | H242 | 117.9° | 120.0° |
| C22 | C24 | C25 | H25 | 42.8° | 53.8° |
| C24 | C25 | C26 | C27 | 125.6° | 119.9° |
| C24 | C25 | C26 | H25 | 114.7° | 120.1° |
| C24 | C25 | C27 | H25 | 114.5° | 120.0° |
| C24 | C25 | C27 | O28 | 29.4° | 0.0° |
| C24 | C25 | C27 | N29 | 152.6° | 179.9° |
| C25 | C24 | C22 | H22 | 70.0° | 55.1° |
| C25 | C24 | H241 | H242 | 117.9° | 120.0° |
| C24 | C25 | C26 | H261 | 153.4° | 175.1° |
| C24 | C25 | C26 | H262 | 33.4° | 55.0° |
| C24 | C25 | C26 | H263 | 86.6° | 64.9° |
| C26 | C25 | C27 | H25 | 122.0° | 120.0° |
| C26 | C25 | C27 | O28 | 94.0° | 120.0° |
| C26 | C25 | C27 | N29 | 84.0° | 60.1° |
| C26 | C25 | C24 | H241 | 44.4° | 53.8° |
| C26 | C25 | C24 | H242 | 77.9° | 66.1° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C25 | C27 | O28 | N29 | 177.9° | 179.9° |
| C25 | C27 | N29 | C30 | 170.9° | 180.0° |
| C27 | C25 | C24 | H241 | 163.7° | 173.8° |
| C27 | C25 | C24 | H242 | 41.4° | 53.8° |
| C27 | C25 | C26 | H261 | 81.0° | 65.0° |
| C27 | C25 | C26 | H262 | 159.0° | 175.0° |
| C27 | C25 | C26 | H263 | 39.0° | 55.0° |
| C25 | C27 | N29 | H29 | 9.1° | 0.2° |
| O28 | C27 | N29 | C30 | 11.1° | 0.1° |
| O28 | C27 | C25 | H25 | 143.9° | 119.9° |
| O28 | C27 | N29 | H29 | 168.9° | 179.9° |
| C27 | N29 | C30 | H29 | 180.0° | 179.8° |
| C27 | N29 | C30 | C31 | 65.4° | 179.9° |
| N29 | C27 | C25 | H25 | 38.1° | 60.0° |
| C27 | N29 | C30 | H301 | 174.6° | 59.9° |
| C27 | N29 | C30 | H302 | 53.6° | 60.1° |
| N29 | C30 | C31 | H301 | 120.0° | 120.0° |
| N29 | C30 | C31 | H302 | 119.0° | 119.9° |
| N29 | C30 | C31 | C32 | 164.6° | 180.0° |
| N29 | C30 | H301 | H302 | 119.1° | 119.9° |
| N29 | C30 | C31 | H311 | 75.4° | 60.0° |
| N29 | C30 | C31 | H312 | 46.1° | 60.1° |
| C30 | C31 | C32 | H311 | 120.0° | 120.0° |
| C30 | C31 | C32 | H312 | 118.5° | 120.0° |
| C30 | C31 | C32 | C33 | 65.6° | 180.0° |
| C31 | C30 | N29 | H29 | 114.6° | 0.1° |
| C31 | C30 | H301 | H302 | 119.0° | 120.1° |
| C30 | C31 | H311 | H312 | 118.6° | 120.1° |
| C30 | C31 | C32 | H321 | 174.4° | 59.9° |
| C30 | C31 | C32 | H322 | 53.9° | 60.0° |
| C31 | C32 | C33 | H321 | 120.0° | 120.0° |
| C31 | C32 | C33 | H322 | 119.4° | 119.9° |
| C32 | C31 | C30 | H301 | 44.6° | 60.0° |
| C32 | C31 | C30 | H302 | 76.4° | 60.1° |
| C32 | C31 | H311 | H312 | 118.6° | 119.9° |
| C31 | C32 | H321 | H322 | 119.4° | 119.9° |
| C31 | C32 | C33 | H331 | 124.4° | 60.0° |
| C31 | C32 | C33 | H332 | 4.4° | 60.1° |
| C31 | C32 | C33 | H333 | 115.6° | 180.0° |
| C33 | C32 | C31 | H311 | 54.4° | 59.9° |
| C33 | C32 | C31 | H312 | 175.9° | 60.0° |
| C33 | C32 | H321 | H322 | 119.4° | 120.0° |
| C32 | C33 | H331 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H333 | 120.0° | 120.1° |
| C32 | C33 | H332 | H333 | 120.0° | 120.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H3C1 | C3 | C4 | H4C1 | 153.0° | 179.9° |
| H3C1 | C3 | C4 | H4C2 | 90.0° | 60.0° |
| H3C2 | C3 | C4 | H4C1 | 33.7° | 60.0° |
| H3C2 | C3 | C4 | H4C2 | 150.7° | 180.0° |
| H4C1 | C4 | C5 | H5C1 | 167.2° | 180.0° |
| H4C1 | C4 | C5 | H5C2 | 70.7° | 60.0° |
| H4C2 | C4 | C5 | H5C1 | 50.2° | 60.0° |
| H4C2 | C4 | C5 | H5C2 | 172.3° | 180.0° |
| H8 | C8 | C9 | H9 | 0.6° | 0.1° |
| H9 | C9 | C10 | H10 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.5° | 0.1° |
| H15 | N15 | C16 | H161 | 79.0° | 120.0° |
| H15 | N15 | C16 | H162 | 162.4° | 120.0° |
| H161 | C16 | C17 | H17 | 31.4° | 65.0° |
| H162 | C16 | C17 | H17 | 150.0° | 175.0° |
| H17 | C17 | C18 | H181 | 114.5° | 175.3° |
| H17 | C17 | C18 | H182 | 5.5° | 64.7° |
| H17 | C17 | C18 | H183 | 125.5° | 55.4° |
| H17 | C17 | C19 | H191 | 179.2° | 175.6° |
| H17 | C17 | C19 | H192 | 57.6° | 64.4° |
| H181 | C18 | H182 | H183 | 120.0° | 119.9° |
| H191 | C19 | C20 | H20 | 47.6° | 65.2° |
| H192 | C19 | C20 | H20 | 170.8° | 174.8° |
| H20 | C20 | N21 | H211 | 161.8° | 177.9° |
| H20 | C20 | N21 | H212 | 78.1° | 58.2° |
| H20 | C20 | C22 | H22 | 85.5° | 60.0° |
| H22 | C22 | O23 | H23 | 111.9° | 180.0° |
| H22 | C22 | C24 | H241 | 170.0° | 175.0° |
| H22 | C22 | C24 | H242 | 47.8° | 65.0° |
| H241 | C24 | C25 | H25 | 77.2° | 66.2° |
| H242 | C24 | C25 | H25 | 160.5° | 173.8° |
| H25 | C25 | C26 | H261 | 38.7° | 55.0° |
| H25 | C25 | C26 | H262 | 81.3° | 65.0° |
| H25 | C25 | C26 | H263 | 158.7° | 175.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H29 | N29 | C30 | H301 | 5.4° | 119.9° |
| H29 | N29 | C30 | H302 | 126.4° | 120.1° |
| H301 | C30 | C31 | H311 | 164.6° | 180.0° |
| H301 | C30 | C31 | H312 | 73.9° | 59.9° |
| H302 | C30 | C31 | H311 | 43.6° | 59.9° |
| H302 | C30 | C31 | H312 | 165.1° | 180.0° |
| H311 | C31 | C32 | H321 | 65.6° | 180.0° |
| H311 | C31 | C32 | H322 | 173.8° | 60.0° |
| H312 | C31 | C32 | H321 | 55.9° | 60.0° |
| H312 | C31 | C32 | H322 | 64.6° | 180.0° |
| H321 | C32 | C33 | H331 | 115.6° | 180.0° |
| H321 | C32 | C33 | H332 | 124.4° | 60.0° |
| H321 | C32 | C33 | H333 | 4.4° | 59.9° |
| H322 | C32 | C33 | H331 | 5.0° | 60.0° |
| H322 | C32 | C33 | H332 | 115.0° | NaN° |
| H322 | C32 | C33 | H333 | 125.0° | 60.1° |
| H331 | C33 | H332 | H333 | 119.9° | 119.9° |
