G80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.22Å | 1.20Å | |
| O2 | C11 | sing | 1.44Å | 1.44Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | C9 | sing | 1.55Å | 1.58Å | |
| C1 | C2 | sing | 1.52Å | 1.51Å | |
| C1 | H11A | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.54Å | 1.56Å | |
| C4 | C9 | sing | 1.56Å | 1.66Å | |
| C4 | C5 | sing | 1.56Å | 1.63Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.57Å | 1.70Å | |
| C5 | C14 | sing | 1.58Å | 1.64Å | |
| C5 | C15 | sing | 1.56Å | 1.56Å | |
| C6 | C7 | sing | 1.54Å | 1.59Å | |
| C6 | C16 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | C8 | sing | 1.52Å | 1.64Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.56Å | 1.63Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C9 | C10 | sing | 1.58Å | 1.59Å | |
| C10 | C17 | sing | 1.55Å | 1.63Å | |
| C10 | C11 | sing | 1.57Å | 1.63Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.57Å | 1.67Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C19 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | sing | 1.56Å | 1.59Å | |
| C12 | C18 | sing | 1.55Å | 1.55Å | |
| C13 | C14 | sing | 1.55Å | 1.56Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C14 | O3 | sing | 1.44Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | 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 | C20 | doub | 1.34Å | 1.32Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.08Å | 1.08Å | |
| O3 | C21 | sing | 1.37Å | 1.35Å | |
| C21 | O4 | doub | 1.22Å | 1.20Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | S1 | sing | 1.81Å | 1.84Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| S1 | C23 | sing | 1.83Å | 1.82Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | C26 | sing | 1.53Å | 1.56Å | |
| C23 | H23 | sing | 1.10Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.60Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C25 | N1 | sing | 1.46Å | 1.54Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C27 | C26 | sing | 1.53Å | 1.59Å | |
| C27 | N1 | sing | 1.46Å | 1.55Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| N1 | HN1 | sing | 1.02Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 123.7° | 121.9° |
| O1 | C3 | C4 | 129.6° | 125.9° |
| C11 | O2 | HO2 | 109.5° | 105.8° |
| O2 | C11 | C10 | 111.7° | 109.1° |
| O2 | C11 | C12 | 112.0° | 108.2° |
| O2 | C11 | H11 | 105.6° | 104.1° |
| C9 | C1 | C2 | 108.9° | 106.4° |
| C9 | C1 | H11A | 109.6° | 112.8° |
| C9 | C1 | H12 | 109.8° | 110.8° |
| C1 | C9 | C4 | 98.4° | 101.7° |
| C1 | C9 | C8 | 114.0° | 108.6° |
| C1 | C9 | C10 | 110.8° | 110.5° |
| C2 | C1 | H11A | 109.7° | 110.6° |
| C2 | C1 | H12 | 109.8° | 109.0° |
| C1 | C2 | C3 | 105.0° | 102.5° |
| C1 | C2 | H21 | 111.0° | 112.0° |
| C1 | C2 | H22 | 111.9° | 111.4° |
| H11A | C1 | H12 | 109.0° | 107.3° |
| C3 | C2 | H21 | 111.0° | 109.5° |
| C3 | C2 | H22 | 111.9° | 110.8° |
| C2 | C3 | C4 | 106.6° | 112.1° |
| H21 | C2 | H22 | 106.1° | 110.3° |
| C3 | C4 | C9 | 97.0° | 100.6° |
| C3 | C4 | C5 | 125.2° | 118.1° |
| C3 | C4 | H4 | 112.0° | 101.3° |
| C9 | C4 | C5 | 118.4° | 115.9° |
| C9 | C4 | H4 | 119.9° | 110.7° |
| C4 | C9 | C8 | 109.2° | 109.4° |
| C4 | C9 | C10 | 113.8° | 115.4° |
| C5 | C4 | H4 | 86.3° | 109.2° |
| C4 | C5 | C6 | 97.2° | 108.4° |
| C4 | C5 | C14 | 108.0° | 110.5° |
| C4 | C5 | C15 | 115.9° | 109.4° |
| C6 | C5 | C14 | 114.4° | 111.2° |
| C6 | C5 | C15 | 111.1° | 109.1° |
| C5 | C6 | C7 | 118.6° | 112.0° |
| C5 | C6 | C16 | 113.4° | 115.8° |
| C5 | C6 | H6 | 98.0° | 107.2° |
| C14 | C5 | C15 | 109.9° | 108.1° |
| C5 | C14 | C13 | 118.4° | 115.7° |
| C5 | C14 | O3 | 111.9° | 109.6° |
| C5 | C14 | H14 | 100.1° | 110.3° |
| C5 | C15 | H151 | 109.5° | 110.6° |
| C5 | C15 | H152 | 109.5° | 110.6° |
| C5 | C15 | H153 | 109.4° | 110.5° |
| C7 | C6 | C16 | 103.0° | 108.8° |
| C7 | C6 | H6 | 109.3° | 106.8° |
| C6 | C7 | C8 | 112.9° | 112.3° |
| C6 | C7 | H71 | 108.4° | 109.2° |
| C6 | C7 | H72 | 107.6° | 111.3° |
| C16 | C6 | H6 | 115.0° | 105.6° |
| C6 | C16 | H161 | 109.5° | 110.6° |
| C6 | C16 | H162 | 109.5° | 110.6° |
| C6 | C16 | H163 | 109.5° | 110.5° |
| C8 | C7 | H71 | 108.3° | 108.1° |
| C8 | C7 | H72 | 107.5° | 110.2° |
| C7 | C8 | C9 | 113.4° | 114.4° |
| C7 | C8 | H81 | 108.2° | 108.8° |
| C7 | C8 | H82 | 107.3° | 106.8° |
| H71 | C7 | H72 | 112.2° | 105.5° |
| C9 | C8 | H81 | 108.2° | 111.4° |
| C9 | C8 | H82 | 107.3° | 110.6° |
| C8 | C9 | C10 | 110.3° | 110.8° |
| H81 | C8 | H82 | 112.6° | 104.4° |
| C9 | C10 | C17 | 110.0° | 111.6° |
| C9 | C10 | C11 | 113.6° | 114.5° |
| C9 | C10 | H10 | 106.3° | 107.4° |
| C17 | C10 | C11 | 109.8° | 111.3° |
| C17 | C10 | H10 | 110.4° | 103.4° |
| C10 | C17 | H171 | 109.5° | 110.6° |
| C10 | C17 | H172 | 109.5° | 110.6° |
| C10 | C17 | H173 | 109.4° | 110.6° |
| C11 | C10 | H10 | 106.5° | 107.9° |
| C10 | C11 | C12 | 107.8° | 116.5° |
| C10 | C11 | H11 | 110.0° | 109.5° |
| C12 | C11 | H11 | 109.6° | 108.8° |
| C11 | C12 | C19 | 110.6° | 111.1° |
| C11 | C12 | C13 | 115.4° | 114.3° |
| C11 | C12 | C18 | 111.8° | 109.2° |
| C19 | C12 | C13 | 103.8° | 109.7° |
| C19 | C12 | C18 | 108.2° | 105.9° |
| C12 | C19 | C20 | 134.4° | 124.0° |
| C12 | C19 | H19 | 112.8° | 117.1° |
| C13 | C12 | C18 | 106.5° | 106.2° |
| C12 | C13 | C14 | 121.9° | 117.1° |
| C12 | C13 | H131 | 105.5° | 109.2° |
| C12 | C13 | H132 | 102.6° | 107.4° |
| C12 | C18 | H181 | 109.5° | 110.6° |
| C12 | C18 | H182 | 109.4° | 110.6° |
| C12 | C18 | H183 | 109.5° | 110.6° |
| C14 | C13 | H131 | 105.5° | 110.8° |
| C14 | C13 | H132 | 102.6° | 107.9° |
| C13 | C14 | O3 | 105.8° | 106.7° |
| C13 | C14 | H14 | 106.8° | 110.1° |
| H131 | C13 | H132 | 119.9° | 103.4° |
| O3 | C14 | H14 | 114.1° | 103.8° |
| C14 | O3 | C21 | 123.2° | 115.4° |
| H151 | C15 | H152 | 109.5° | 108.4° |
| H151 | C15 | H153 | 109.5° | 108.3° |
| H152 | C15 | H153 | 109.5° | 108.3° |
| H161 | C16 | H162 | 109.4° | 108.4° |
| H161 | C16 | H163 | 109.5° | 108.4° |
| H162 | C16 | H163 | 109.5° | 108.4° |
| H171 | C17 | H172 | 109.5° | 108.3° |
| H171 | C17 | H173 | 109.5° | 108.3° |
| H172 | C17 | H173 | 109.5° | 108.4° |
| H181 | C18 | H182 | 109.4° | 108.4° |
| H181 | C18 | H183 | 109.5° | 108.3° |
| H182 | C18 | H183 | 109.5° | 108.4° |
| C20 | C19 | H19 | 112.8° | 118.8° |
| C19 | C20 | H201 | 111.5° | 120.4° |
| C19 | C20 | H202 | 124.3° | 121.6° |
| H201 | C20 | H202 | 124.2° | 118.0° |
| O3 | C21 | O4 | 120.6° | 125.6° |
| O3 | C21 | C22 | 120.0° | 108.0° |
| O4 | C21 | C22 | 119.4° | 126.3° |
| C21 | C22 | S1 | 112.3° | 111.3° |
| C21 | C22 | H221 | 108.5° | 109.2° |
| C21 | C22 | H222 | 107.9° | 109.2° |
| S1 | C22 | H221 | 108.5° | 108.6° |
| S1 | C22 | H222 | 107.9° | 108.7° |
| C22 | S1 | C23 | 107.4° | 98.6° |
| H221 | C22 | H222 | 111.7° | 109.9° |
| S1 | C23 | C24 | 109.2° | 111.1° |
| S1 | C23 | C26 | 111.2° | 110.8° |
| S1 | C23 | H23 | 107.7° | 106.1° |
| C24 | C23 | C26 | 107.1° | 110.2° |
| C24 | C23 | H23 | 111.8° | 109.3° |
| C23 | C24 | C25 | 108.3° | 113.0° |
| C23 | C24 | H241 | 109.9° | 108.3° |
| C23 | C24 | H242 | 110.1° | 111.1° |
| C26 | C23 | H23 | 109.8° | 109.3° |
| C23 | C26 | C27 | 107.8° | 113.0° |
| C23 | C26 | H261 | 110.0° | 111.1° |
| C23 | C26 | H262 | 110.4° | 108.2° |
| C25 | C24 | H241 | 109.9° | 108.3° |
| C25 | C24 | H242 | 110.1° | 110.0° |
| C24 | C25 | N1 | 112.1° | 111.4° |
| C24 | C25 | H251 | 108.6° | 110.9° |
| C24 | C25 | H252 | 108.0° | 108.8° |
| H241 | C24 | H242 | 108.5° | 106.0° |
| N1 | C25 | H251 | 108.6° | 110.3° |
| N1 | C25 | H252 | 108.0° | 108.6° |
| C25 | N1 | C27 | 101.9° | 111.6° |
| C25 | N1 | HN1 | 112.1° | 109.3° |
| H251 | C25 | H252 | 111.6° | 106.6° |
| C26 | C27 | N1 | 111.5° | 111.4° |
| C26 | C27 | H271 | 108.8° | 108.8° |
| C26 | C27 | H272 | 108.3° | 110.9° |
| C27 | C26 | H261 | 110.0° | 110.0° |
| C27 | C26 | H262 | 110.4° | 108.3° |
| N1 | C27 | H271 | 108.8° | 108.6° |
| N1 | C27 | H272 | 108.4° | 110.2° |
| C27 | N1 | HN1 | 112.1° | 109.2° |
| H271 | C27 | H272 | 111.1° | 106.7° |
| H261 | C26 | H262 | 108.2° | 106.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | C1 | 148.6° | 176.2° |
| O1 | C3 | C2 | C4 | 179.9° | 177.4° |
| O1 | C3 | C2 | H21 | 91.4° | 64.7° |
| O1 | C3 | C2 | H22 | 27.0° | 57.2° |
| O1 | C3 | C4 | C9 | 132.4° | 159.6° |
| O1 | C3 | C4 | C5 | 0.1° | 32.5° |
| O1 | C3 | C4 | H4 | 101.4° | 86.5° |
| O2 | C11 | C10 | C9 | 124.2° | 136.3° |
| O2 | C11 | C10 | C17 | 0.5° | 8.6° |
| O2 | C11 | C10 | C12 | 123.5° | 122.8° |
| O2 | C11 | C10 | H11 | 116.9° | 113.3° |
| O2 | C11 | C10 | H10 | 119.1° | 104.2° |
| O2 | C11 | C12 | H11 | 116.9° | 112.5° |
| O2 | C11 | C12 | C19 | 63.3° | 65.4° |
| O2 | C11 | C12 | C13 | 179.3° | 169.8° |
| O2 | C11 | C12 | C18 | 57.4° | 51.0° |
| HO2 | O2 | C11 | C10 | 177.4° | 143.1° |
| HO2 | O2 | C11 | C12 | 56.3° | 89.3° |
| HO2 | O2 | C11 | H11 | 63.0° | 26.3° |
| C9 | C1 | C2 | H11A | 120.0° | 122.8° |
| C9 | C1 | C2 | H12 | 120.2° | 119.5° |
| C9 | C1 | H11A | H12 | 120.2° | 122.3° |
| C9 | C1 | C2 | C3 | 0.2° | 25.7° |
| C9 | C1 | C2 | H21 | 119.8° | 91.6° |
| C9 | C1 | C2 | H22 | 121.8° | 144.3° |
| C1 | C9 | C4 | C3 | 43.3° | 36.9° |
| C1 | C9 | C4 | C8 | 119.1° | 114.7° |
| C1 | C9 | C4 | C10 | 117.3° | 119.6° |
| C1 | C9 | C4 | C5 | 179.9° | 165.5° |
| C1 | C9 | C4 | H4 | 77.0° | 69.5° |
| C1 | C9 | C8 | C7 | 152.8° | 159.5° |
| C1 | C9 | C8 | C10 | 125.3° | 121.5° |
| C1 | C9 | C8 | H81 | 87.2° | 76.6° |
| C1 | C9 | C8 | H82 | 34.6° | 39.0° |
| C1 | C9 | C10 | C17 | 70.1° | 50.6° |
| C1 | C9 | C10 | C11 | 53.5° | 77.0° |
| C1 | C9 | C10 | H10 | 170.3° | 163.3° |
| C2 | C1 | H11A | H12 | 120.3° | 118.7° |
| C1 | C2 | C3 | H21 | 120.0° | 119.1° |
| C1 | C2 | C3 | H22 | 121.6° | 119.0° |
| C1 | C2 | H21 | H22 | 121.8° | 124.7° |
| C1 | C2 | C3 | C4 | 31.2° | 1.2° |
| C2 | C1 | C9 | C4 | 28.0° | 40.4° |
| C2 | C1 | C9 | C8 | 87.4° | 74.9° |
| C2 | C1 | C9 | C10 | 147.5° | 163.4° |
| H11A | C1 | C2 | C3 | 120.2° | 148.5° |
| H11A | C1 | C2 | H21 | 0.2° | 31.2° |
| H11A | C1 | C2 | H22 | 118.2° | 92.9° |
| H11A | C1 | C9 | C4 | 92.0° | 161.8° |
| H11A | C1 | C9 | C8 | 152.6° | 46.5° |
| H11A | C1 | C9 | C10 | 27.5° | 75.2° |
| H12 | C1 | C2 | C3 | 120.0° | 93.8° |
| H12 | C1 | C2 | H21 | 120.0° | 148.9° |
| H12 | C1 | C2 | H22 | 1.6° | 24.8° |
| H12 | C1 | C9 | C4 | 148.2° | 77.9° |
| H12 | C1 | C9 | C8 | 32.8° | 166.8° |
| H12 | C1 | C9 | C10 | 92.2° | 45.1° |
| C3 | C2 | H21 | H22 | 121.8° | 122.2° |
| C2 | C3 | C4 | C9 | 47.5° | 23.1° |
| C2 | C3 | C4 | C5 | 179.8° | 150.2° |
| C2 | C3 | C4 | H4 | 78.7° | 90.7° |
| H21 | C2 | C3 | C4 | 88.8° | 117.9° |
| H22 | C2 | C3 | C4 | 152.9° | 120.2° |
| C3 | C4 | C9 | C5 | 136.6° | 128.6° |
| C3 | C4 | C9 | H4 | 120.3° | 106.5° |
| C3 | C4 | C5 | H4 | 114.4° | 114.8° |
| C3 | C4 | C5 | C6 | 61.1° | 65.6° |
| C3 | C4 | C5 | C14 | 179.7° | 172.2° |
| C3 | C4 | C5 | C15 | 56.6° | 53.2° |
| C3 | C4 | C9 | C8 | 75.8° | 77.8° |
| C3 | C4 | C9 | C10 | 160.6° | 156.6° |
| C9 | C4 | C5 | H4 | 122.2° | 125.7° |
| C9 | C4 | C5 | C6 | 62.3° | 53.8° |
| C9 | C4 | C5 | C14 | 56.3° | 68.3° |
| C9 | C4 | C5 | C15 | 180.0° | 172.7° |
| C4 | C9 | C8 | C7 | 43.9° | 49.3° |
| C4 | C9 | C8 | C10 | 125.7° | 128.3° |
| C4 | C9 | C8 | H81 | 163.9° | 173.2° |
| C4 | C9 | C8 | H82 | 74.4° | 71.3° |
| C4 | C9 | C10 | C17 | 179.9° | 165.3° |
| C4 | C9 | C10 | C11 | 56.3° | 37.8° |
| C4 | C9 | C10 | H10 | 60.5° | 82.0° |
| C4 | C5 | C6 | C14 | 113.6° | 121.7° |
| C4 | C5 | C6 | C15 | 121.3° | 119.1° |
| C4 | C5 | C14 | C15 | 127.3° | 119.8° |
| C4 | C5 | C6 | C7 | 58.6° | 54.6° |
| C4 | C5 | C6 | C16 | 179.7° | 179.8° |
| C4 | C5 | C6 | H6 | 58.7° | 62.2° |
| C5 | C4 | C9 | C8 | 60.8° | 50.8° |
| C5 | C4 | C9 | C10 | 62.8° | 74.9° |
| C4 | C5 | C14 | C13 | 55.9° | 46.8° |
| C4 | C5 | C14 | O3 | 179.3° | 167.5° |
| C4 | C5 | C14 | H14 | 59.5° | 78.9° |
| C4 | C5 | C15 | H151 | 115.2° | 118.1° |
| C4 | C5 | C15 | H152 | 124.8° | 121.8° |
| C4 | C5 | C15 | H153 | 4.8° | 1.9° |
| H4 | C4 | C5 | C6 | 175.5° | 179.5° |
| H4 | C4 | C5 | C14 | 65.9° | 57.4° |
| H4 | C4 | C5 | C15 | 57.8° | 61.6° |
| H4 | C4 | C9 | C8 | 163.9° | 175.8° |
| H4 | C4 | C9 | C10 | 40.3° | 50.1° |
| C6 | C5 | C14 | C15 | 125.7° | 119.8° |
| C5 | C6 | C7 | C16 | 126.2° | 129.3° |
| C5 | C6 | C7 | H6 | 111.1° | 117.1° |
| C5 | C6 | C16 | H6 | 111.7° | 118.5° |
| C5 | C6 | C7 | C8 | 53.9° | 56.1° |
| C5 | C6 | C7 | H71 | 174.0° | 175.9° |
| C5 | C6 | C7 | H72 | 64.6° | 68.0° |
| C6 | C5 | C14 | C13 | 163.0° | 167.3° |
| C6 | C5 | C14 | O3 | 73.7° | 72.1° |
| C6 | C5 | C14 | H14 | 47.5° | 41.6° |
| C6 | C5 | C15 | H151 | 5.6° | 0.3° |
| C6 | C5 | C15 | H152 | 125.6° | 119.7° |
| C6 | C5 | C15 | H153 | 114.4° | 120.3° |
| C5 | C6 | C16 | H161 | 0.2° | 141.7° |
| C5 | C6 | C16 | H162 | 119.7° | 21.7° |
| C5 | C6 | C16 | H163 | 120.3° | 98.3° |
| C14 | C5 | C6 | C7 | 55.0° | 67.1° |
| C14 | C5 | C6 | C16 | 66.1° | 58.5° |
| C14 | C5 | C6 | H6 | 172.2° | 176.1° |
| C5 | C14 | C13 | C12 | 106.9° | 106.5° |
| C5 | C14 | C13 | O3 | 126.3° | 122.2° |
| C5 | C14 | C13 | H14 | 111.8° | 125.8° |
| C5 | C14 | C13 | H131 | 13.1° | 19.6° |
| C5 | C14 | C13 | H132 | 139.4° | 132.2° |
| C5 | C14 | O3 | H14 | 112.7° | 117.8° |
| C14 | C5 | C15 | H151 | 122.0° | 121.4° |
| C14 | C5 | C15 | H152 | 2.0° | 1.4° |
| C14 | C5 | C15 | H153 | 118.0° | 118.6° |
| C5 | C14 | O3 | C21 | 124.9° | 177.7° |
| C15 | C5 | C6 | C7 | 179.9° | 173.7° |
| C15 | C5 | C6 | C16 | 59.0° | 60.7° |
| C15 | C5 | C6 | H6 | 62.7° | 56.8° |
| C15 | C5 | C14 | C13 | 71.4° | 73.0° |
| C15 | C5 | C14 | O3 | 52.0° | 47.7° |
| C15 | C5 | C14 | H14 | 173.2° | 161.4° |
| C5 | C15 | H151 | H152 | 120.0° | 121.4° |
| C5 | C15 | H151 | H153 | 120.0° | 121.3° |
| C5 | C15 | H152 | H153 | 120.0° | 121.2° |
| C7 | C6 | C16 | H6 | 118.9° | 114.4° |
| C6 | C7 | C8 | H71 | 120.0° | 120.5° |
| C6 | C7 | C8 | H72 | 118.5° | 124.7° |
| C6 | C7 | H71 | H72 | 118.6° | 119.7° |
| C6 | C7 | C8 | C9 | 42.7° | 53.6° |
| C6 | C7 | C8 | H81 | 162.7° | 178.9° |
| C6 | C7 | C8 | H82 | 75.6° | 69.0° |
| C7 | C6 | C16 | H161 | 129.2° | 14.5° |
| C7 | C6 | C16 | H162 | 110.8° | 105.5° |
| C7 | C6 | C16 | H163 | 9.2° | 134.5° |
| C16 | C6 | C7 | C8 | 179.9° | 174.6° |
| C16 | C6 | C7 | H71 | 59.8° | 54.8° |
| C16 | C6 | C7 | H72 | 61.6° | 61.3° |
| C6 | C16 | H161 | H162 | 120.0° | 121.3° |
| C6 | C16 | H161 | H163 | 120.0° | 121.3° |
| C6 | C16 | H162 | H163 | 120.0° | 121.3° |
| H6 | C6 | C7 | C8 | 57.2° | 61.0° |
| H6 | C6 | C7 | H71 | 62.9° | 58.8° |
| H6 | C6 | C7 | H72 | 175.7° | 174.9° |
| H6 | C6 | C16 | H161 | 111.9° | 99.8° |
| H6 | C6 | C16 | H162 | 8.1° | 140.1° |
| H6 | C6 | C16 | H163 | 128.1° | 20.1° |
| C8 | C7 | H71 | H72 | 118.6° | 117.9° |
| C7 | C8 | C9 | H81 | 120.0° | 123.9° |
| C7 | C8 | C9 | H82 | 118.3° | 120.6° |
| C7 | C8 | H81 | H82 | 118.3° | 113.7° |
| C7 | C8 | C9 | C10 | 81.8° | 79.0° |
| H71 | C7 | C8 | C9 | 162.7° | 174.1° |
| H71 | C7 | C8 | H81 | 77.2° | 60.7° |
| H71 | C7 | C8 | H82 | 44.4° | 51.4° |
| H72 | C7 | C8 | C9 | 75.8° | 71.1° |
| H72 | C7 | C8 | H81 | 44.2° | 54.2° |
| H72 | C7 | C8 | H82 | 165.9° | 166.3° |
| C9 | C8 | H81 | H82 | 118.4° | 119.3° |
| C8 | C9 | C10 | C17 | 57.0° | 69.7° |
| C8 | C9 | C10 | C11 | 179.4° | 162.7° |
| C8 | C9 | C10 | H10 | 62.5° | 42.9° |
| H81 | C8 | C9 | C10 | 38.2° | 44.9° |
| H82 | C8 | C9 | C10 | 159.9° | 160.4° |
| C9 | C10 | C17 | C11 | 125.8° | 129.3° |
| C9 | C10 | C17 | H10 | 117.1° | 115.1° |
| C9 | C10 | C11 | H10 | 116.7° | 119.5° |
| C9 | C10 | C11 | C12 | 112.3° | 100.9° |
| C9 | C10 | C11 | H11 | 7.2° | 23.0° |
| C9 | C10 | C17 | H171 | 127.5° | 148.3° |
| C9 | C10 | C17 | H172 | 112.4° | 91.8° |
| C9 | C10 | C17 | H173 | 7.6° | 28.3° |
| C17 | C10 | C11 | H10 | 119.6° | 112.8° |
| C17 | C10 | C11 | C12 | 124.0° | 131.4° |
| C17 | C10 | C11 | H11 | 116.4° | 104.7° |
| C10 | C17 | H171 | H172 | 120.0° | 121.3° |
| C10 | C17 | H171 | H173 | 120.0° | 121.3° |
| C10 | C17 | H172 | H173 | 120.0° | 121.4° |
| C10 | C11 | C12 | H11 | 119.8° | 124.2° |
| C10 | C11 | C12 | C19 | 60.0° | 57.8° |
| C10 | C11 | C12 | C13 | 57.4° | 67.0° |
| C10 | C11 | C12 | C18 | 179.3° | 174.3° |
| C11 | C10 | C17 | H171 | 1.7° | 19.0° |
| C11 | C10 | C17 | H172 | 121.8° | 139.0° |
| C11 | C10 | C17 | H173 | 118.2° | 100.9° |
| H10 | C10 | C11 | C12 | 4.4° | 18.6° |
| H10 | C10 | C11 | H11 | 124.0° | 142.5° |
| H10 | C10 | C17 | H171 | 115.4° | 96.6° |
| H10 | C10 | C17 | H172 | 4.6° | 23.4° |
| H10 | C10 | C17 | H173 | 124.6° | 143.5° |
| C11 | C12 | C19 | C13 | 124.3° | 127.3° |
| C11 | C12 | C19 | C18 | 122.8° | 118.4° |
| C11 | C12 | C13 | C18 | 124.7° | 120.5° |
| C11 | C12 | C13 | C14 | 55.0° | 65.5° |
| C11 | C12 | C13 | H131 | 65.0° | 61.5° |
| C11 | C12 | C13 | H132 | 168.7° | 173.0° |
| C11 | C12 | C18 | H181 | 124.7° | 141.0° |
| C11 | C12 | C18 | H182 | 115.4° | 98.9° |
| C11 | C12 | C18 | H183 | 4.7° | 21.1° |
| C11 | C12 | C19 | C20 | 122.8° | 142.7° |
| C11 | C12 | C19 | H19 | 57.2° | 37.3° |
| H11 | C11 | C12 | C19 | 179.8° | 177.9° |
| H11 | C11 | C12 | C13 | 62.4° | 57.3° |
| H11 | C11 | C12 | C18 | 59.5° | 61.5° |
| C19 | C12 | C13 | C18 | 114.1° | 114.1° |
| C19 | C12 | C13 | C14 | 66.2° | 60.0° |
| C19 | C12 | C13 | H131 | 173.8° | 173.0° |
| C19 | C12 | C13 | H132 | 47.5° | 61.5° |
| C19 | C12 | C18 | H181 | 113.3° | 99.3° |
| C19 | C12 | C18 | H182 | 6.7° | 20.7° |
| C19 | C12 | C18 | H183 | 126.7° | 140.7° |
| C12 | C19 | C20 | H19 | 180.0° | 180.0° |
| C12 | C19 | C20 | H201 | 0.0° | 180.0° |
| C12 | C19 | C20 | H202 | 180.0° | 0.0° |
| C12 | C13 | C14 | H131 | 120.0° | 126.1° |
| C12 | C13 | C14 | H132 | 113.8° | 121.3° |
| C12 | C13 | H131 | H132 | 114.9° | 114.1° |
| C12 | C13 | C14 | O3 | 126.8° | 131.3° |
| C12 | C13 | C14 | H14 | 4.9° | 19.3° |
| C13 | C12 | C18 | H181 | 2.2° | 17.3° |
| C13 | C12 | C18 | H182 | 117.7° | 137.3° |
| C13 | C12 | C18 | H183 | 122.2° | 102.6° |
| C13 | C12 | C19 | C20 | 112.9° | 90.0° |
| C13 | C12 | C19 | H19 | 67.1° | 90.0° |
| C18 | C12 | C13 | C14 | 179.7° | 174.1° |
| C18 | C12 | C13 | H131 | 59.7° | 59.0° |
| C18 | C12 | C13 | H132 | 66.6° | 52.5° |
| C12 | C18 | H181 | H182 | 120.0° | 121.4° |
| C12 | C18 | H181 | H183 | 120.0° | 121.3° |
| C12 | C18 | H182 | H183 | 120.0° | 121.3° |
| C18 | C12 | C19 | C20 | 0.0° | 24.3° |
| C18 | C12 | C19 | H19 | 180.0° | 155.7° |
| C14 | C13 | H131 | H132 | 114.8° | 115.4° |
| C13 | C14 | O3 | H14 | 117.1° | 116.3° |
| C13 | C14 | O3 | C21 | 105.0° | 56.3° |
| H131 | C13 | C14 | O3 | 113.2° | 102.6° |
| H131 | C13 | C14 | H14 | 124.9° | 145.4° |
| H132 | C13 | C14 | O3 | 13.0° | 10.0° |
| H132 | C13 | C14 | H14 | 108.9° | 102.0° |
| C14 | O3 | C21 | O4 | 0.0° | 30.0° |
| C14 | O3 | C21 | C22 | 179.9° | 150.1° |
| H14 | C14 | O3 | C21 | 12.2° | 60.0° |
| H151 | C15 | H152 | H153 | 120.0° | 117.3° |
| H161 | C16 | H162 | H163 | 120.0° | 117.4° |
| H171 | C17 | H172 | H173 | 120.0° | 117.3° |
| H181 | C18 | H182 | H183 | 120.0° | 117.3° |
| C19 | C20 | H201 | H202 | 180.0° | 180.0° |
| H19 | C19 | C20 | H201 | 180.0° | 0.0° |
| H19 | C19 | C20 | H202 | 0.0° | 180.0° |
| O3 | C21 | O4 | C22 | 179.9° | 179.9° |
| O3 | C21 | C22 | S1 | 133.8° | 179.8° |
| O3 | C21 | C22 | H221 | 13.8° | 59.9° |
| O3 | C21 | C22 | H222 | 107.4° | 60.2° |
| O4 | C21 | C22 | S1 | 46.1° | 0.1° |
| O4 | C21 | C22 | H221 | 166.1° | 120.0° |
| O4 | C21 | C22 | H222 | 72.7° | 119.9° |
| C21 | C22 | S1 | H221 | 120.0° | 120.3° |
| C21 | C22 | S1 | H222 | 118.8° | 120.3° |
| C21 | C22 | H221 | H222 | 118.9° | 119.7° |
| C21 | C22 | S1 | C23 | 93.1° | 180.0° |
| S1 | C22 | H221 | H222 | 118.8° | 118.7° |
| C22 | S1 | C23 | C24 | 180.0° | 60.0° |
| C22 | S1 | C23 | C26 | 62.0° | 177.2° |
| C22 | S1 | C23 | H23 | 58.4° | 58.7° |
| H221 | C22 | S1 | C23 | 26.9° | 59.8° |
| H222 | C22 | S1 | C23 | 148.1° | 59.7° |
| S1 | C23 | C24 | C26 | 120.5° | 123.2° |
| S1 | C23 | C24 | H23 | 119.1° | 116.8° |
| S1 | C23 | C26 | H23 | 119.2° | 116.6° |
| S1 | C23 | C24 | C25 | 180.0° | 75.0° |
| S1 | C23 | C24 | H241 | 60.0° | 165.1° |
| S1 | C23 | C24 | H242 | 59.5° | 49.2° |
| S1 | C23 | C26 | C27 | 179.9° | 75.2° |
| S1 | C23 | C26 | H261 | 60.0° | 49.0° |
| S1 | C23 | C26 | H262 | 59.4° | 165.0° |
| C24 | C23 | C26 | H23 | 121.6° | 120.1° |
| C23 | C24 | C25 | H241 | 120.0° | 119.9° |
| C23 | C24 | C25 | H242 | 120.5° | 124.7° |
| C23 | C24 | H241 | H242 | 120.5° | 119.2° |
| C23 | C24 | C25 | N1 | 64.3° | 54.1° |
| C23 | C24 | C25 | H251 | 55.6° | 69.2° |
| C23 | C24 | C25 | H252 | 176.8° | 173.8° |
| C24 | C23 | C26 | C27 | 60.7° | 48.2° |
| C24 | C23 | C26 | H261 | 59.3° | 172.4° |
| C24 | C23 | C26 | H262 | 178.6° | 71.7° |
| C26 | C23 | C24 | C25 | 59.5° | 48.2° |
| C26 | C23 | C24 | H241 | 179.5° | 71.7° |
| C26 | C23 | C24 | H242 | 61.0° | 172.3° |
| C23 | C26 | C27 | H261 | 120.0° | 124.8° |
| C23 | C26 | C27 | H262 | 120.7° | 119.8° |
| C23 | C26 | C27 | N1 | 66.8° | 53.9° |
| C23 | C26 | C27 | H271 | 173.2° | 173.7° |
| C23 | C26 | C27 | H272 | 52.4° | 69.2° |
| C23 | C26 | H261 | H262 | 120.7° | 117.3° |
| H23 | C23 | C24 | C25 | 60.9° | 168.3° |
| H23 | C23 | C24 | H241 | 59.1° | 48.3° |
| H23 | C23 | C24 | H242 | 178.6° | 67.6° |
| H23 | C23 | C26 | C27 | 60.9° | 168.2° |
| H23 | C23 | C26 | H261 | 179.1° | 67.6° |
| H23 | C23 | C26 | H262 | 59.8° | 48.3° |
| C25 | C24 | H241 | H242 | 120.5° | 118.0° |
| C24 | C25 | N1 | H251 | 120.0° | 123.6° |
| C24 | C25 | N1 | H252 | 118.9° | 119.8° |
| C24 | C25 | H251 | H252 | 118.9° | 118.3° |
| C24 | C25 | N1 | C27 | 63.4° | 58.8° |
| C24 | C25 | N1 | HN1 | 176.6° | 179.8° |
| H241 | C24 | C25 | N1 | 175.6° | 65.8° |
| H241 | C24 | C25 | H251 | 64.4° | 170.9° |
| H241 | C24 | C25 | H252 | 56.8° | 53.9° |
| H242 | C24 | C25 | N1 | 56.1° | 178.8° |
| H242 | C24 | C25 | H251 | 176.1° | 55.5° |
| H242 | C24 | C25 | H252 | 62.7° | 61.4° |
| N1 | C25 | H251 | H252 | 118.9° | 117.8° |
| C25 | N1 | C27 | C26 | 64.7° | 58.7° |
| C25 | N1 | C27 | HN1 | 120.0° | 121.0° |
| C25 | N1 | C27 | H271 | 175.4° | 178.6° |
| C25 | N1 | C27 | H272 | 54.5° | 64.9° |
| H251 | C25 | N1 | C27 | 56.6° | 64.8° |
| H251 | C25 | N1 | HN1 | 63.5° | 56.1° |
| H252 | C25 | N1 | C27 | 177.7° | 178.7° |
| H252 | C25 | N1 | HN1 | 57.7° | 60.4° |
| C26 | C27 | N1 | H271 | 120.0° | 119.9° |
| C26 | C27 | N1 | H272 | 119.1° | 123.6° |
| C26 | C27 | H271 | H272 | 119.2° | 119.8° |
| C27 | C26 | H261 | H262 | 120.7° | 116.8° |
| C26 | C27 | N1 | HN1 | 175.4° | 179.7° |
| N1 | C27 | H271 | H272 | 119.2° | 118.8° |
| N1 | C27 | C26 | H261 | 53.2° | 178.7° |
| N1 | C27 | C26 | H262 | 172.6° | 65.9° |
| H271 | C27 | C26 | H261 | 66.8° | 61.5° |
| H271 | C27 | C26 | H262 | 52.6° | 53.8° |
| H271 | C27 | N1 | HN1 | 55.4° | 60.4° |
| H272 | C27 | C26 | H261 | 172.3° | 55.6° |
| H272 | C27 | C26 | H262 | 68.3° | 170.9° |
| H272 | C27 | N1 | HN1 | 65.5° | 56.1° |
