34P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.34Å | Aromatic |
| C1 | S5 | sing | 1.71Å | 1.72Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | N3 | sing | 1.33Å | 1.45Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.43Å | |
| N3 | C4 | doub | 1.29Å | 1.35Å | Aromatic |
| C4 | S5 | sing | 1.71Å | 1.75Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | N28 | doub | 1.30Å | 1.32Å | |
| C6 | N29 | sing | 1.38Å | 1.32Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| N8 | C9 | sing | 1.35Å | 1.34Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | O10 | doub | 1.21Å | 1.21Å | |
| C9 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.55Å | 1.50Å | |
| C11 | N15 | sing | 1.47Å | 1.49Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.55Å | 1.34Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.54Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N15 | C16 | sing | 1.35Å | 1.37Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C16 | C18 | sing | 1.51Å | 1.55Å | |
| C18 | N19 | sing | 1.47Å | 1.49Å | |
| C18 | C21 | sing | 1.53Å | 1.55Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N19 | C20 | sing | 1.47Å | 1.48Å | |
| N19 | HN19 | sing | 1.01Å | 1.00Å | |
| C20 | C30 | sing | 1.51Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C27 | sing | 1.53Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| N29 | H292 | sing | 0.97Å | 1.00Å | |
| C30 | O31 | doub | 1.21Å | 1.21Å | |
| C30 | O32 | sing | 1.34Å | 1.23Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S5 | 112.7° | 108.8° |
| C2 | C1 | H1 | 123.7° | 125.6° |
| C1 | C2 | N3 | 113.5° | 113.9° |
| C1 | C2 | C6 | 124.4° | 123.0° |
| S5 | C1 | H1 | 123.7° | 125.7° |
| C1 | S5 | C4 | 90.3° | 91.0° |
| N3 | C2 | C6 | 122.1° | 123.0° |
| C2 | N3 | C4 | 110.6° | 115.8° |
| C2 | C6 | N28 | 120.0° | 119.9° |
| C2 | C6 | N29 | 118.4° | 120.0° |
| N3 | C4 | S5 | 112.9° | 110.4° |
| N3 | C4 | C7 | 127.4° | 124.8° |
| S5 | C4 | C7 | 119.7° | 124.8° |
| C4 | C7 | N8 | 109.8° | 109.4° |
| C4 | C7 | H71 | 109.4° | 109.5° |
| C4 | C7 | H72 | 109.4° | 109.4° |
| N28 | C6 | N29 | 121.7° | 120.1° |
| C6 | N28 | HN28 | 112.0° | 119.9° |
| C6 | N29 | H291 | 120.0° | 120.0° |
| C6 | N29 | H292 | 120.0° | 120.0° |
| N8 | C7 | H71 | 109.4° | 109.5° |
| N8 | C7 | H72 | 109.4° | 109.5° |
| C7 | N8 | C9 | 120.1° | 120.0° |
| C7 | N8 | HN8 | 120.0° | 120.0° |
| H71 | C7 | H72 | 109.6° | 109.5° |
| C9 | N8 | HN8 | 120.0° | 120.0° |
| N8 | C9 | O10 | 122.6° | 120.0° |
| N8 | C9 | C11 | 116.7° | 120.0° |
| O10 | C9 | C11 | 120.6° | 120.0° |
| C9 | C11 | C12 | 110.1° | 110.4° |
| C9 | C11 | N15 | 117.1° | 110.3° |
| C9 | C11 | H11 | 101.8° | 110.3° |
| C12 | C11 | N15 | 102.8° | 104.9° |
| C12 | C11 | H11 | 116.4° | 110.4° |
| C11 | C12 | C13 | 110.1° | 101.6° |
| C11 | C12 | H121 | 109.3° | 111.0° |
| C11 | C12 | H122 | 109.3° | 111.0° |
| N15 | C11 | H11 | 109.3° | 110.5° |
| C11 | N15 | C14 | 110.8° | 108.7° |
| C11 | N15 | C16 | 122.3° | 125.7° |
| C13 | C12 | H121 | 109.2° | 111.0° |
| C13 | C12 | H122 | 109.2° | 111.0° |
| C12 | C13 | C14 | 112.1° | 103.0° |
| C12 | C13 | H131 | 108.6° | 110.7° |
| C12 | C13 | H132 | 108.6° | 110.7° |
| H121 | C12 | H122 | 109.7° | 110.9° |
| C14 | C13 | H131 | 108.6° | 110.7° |
| C14 | C13 | H132 | 108.6° | 110.7° |
| C13 | C14 | N15 | 102.8° | 107.3° |
| C13 | C14 | H141 | 111.8° | 109.8° |
| C13 | C14 | H142 | 111.8° | 109.9° |
| H131 | C13 | H132 | 110.3° | 110.8° |
| N15 | C14 | H141 | 111.8° | 109.9° |
| N15 | C14 | H142 | 111.8° | 109.9° |
| C14 | N15 | C16 | 126.8° | 125.7° |
| H141 | C14 | H142 | 107.0° | 110.0° |
| N15 | C16 | O17 | 122.7° | 120.0° |
| N15 | C16 | C18 | 119.6° | 120.0° |
| O17 | C16 | C18 | 117.7° | 120.0° |
| C16 | C18 | N19 | 113.9° | 109.5° |
| C16 | C18 | C21 | 105.8° | 109.5° |
| C16 | C18 | H18 | 106.9° | 109.4° |
| N19 | C18 | C21 | 102.0° | 109.5° |
| N19 | C18 | H18 | 110.4° | 109.5° |
| C18 | N19 | C20 | 123.1° | 111.0° |
| C18 | N19 | HN19 | 105.1° | 111.0° |
| C21 | C18 | H18 | 118.0° | 109.5° |
| C18 | C21 | C22 | 116.8° | 109.5° |
| C18 | C21 | H211 | 107.1° | 109.4° |
| C18 | C21 | H212 | 107.1° | 109.5° |
| C20 | N19 | HN19 | 105.2° | 111.0° |
| N19 | C20 | C30 | 116.0° | 109.5° |
| N19 | C20 | H201 | 107.3° | 109.4° |
| N19 | C20 | H202 | 107.3° | 109.5° |
| C30 | C20 | H201 | 107.4° | 109.5° |
| C30 | C20 | H202 | 107.4° | 109.5° |
| C20 | C30 | O31 | 120.3° | 120.0° |
| C20 | C30 | O32 | 118.2° | 120.0° |
| H201 | C20 | H202 | 111.5° | 109.4° |
| C22 | C21 | H211 | 107.1° | 109.5° |
| C22 | C21 | H212 | 107.1° | 109.5° |
| C21 | C22 | C23 | 110.4° | 109.5° |
| C21 | C22 | C27 | 112.6° | 109.5° |
| C21 | C22 | H22 | 106.4° | 109.5° |
| H211 | C21 | H212 | 111.7° | 109.4° |
| C23 | C22 | C27 | 108.7° | 109.5° |
| C23 | C22 | H22 | 110.5° | 109.5° |
| C22 | C23 | C24 | 111.9° | 109.5° |
| C22 | C23 | H231 | 108.7° | 109.5° |
| C22 | C23 | H232 | 108.7° | 109.5° |
| C27 | C22 | H22 | 108.2° | 109.5° |
| C22 | C27 | C26 | 113.2° | 109.5° |
| C22 | C27 | H271 | 108.3° | 109.5° |
| C22 | C27 | H272 | 108.2° | 109.5° |
| C24 | C23 | H231 | 108.7° | 109.5° |
| C24 | C23 | H232 | 108.7° | 109.4° |
| C23 | C24 | C25 | 112.6° | 109.5° |
| C23 | C24 | H241 | 108.4° | 109.4° |
| C23 | C24 | H242 | 108.4° | 109.5° |
| H231 | C23 | H232 | 110.2° | 109.5° |
| C25 | C24 | H241 | 108.4° | 109.5° |
| C25 | C24 | H242 | 108.4° | 109.5° |
| C24 | C25 | C26 | 111.6° | 109.4° |
| C24 | C25 | H251 | 108.8° | 109.5° |
| C24 | C25 | H252 | 108.8° | 109.5° |
| H241 | C24 | H242 | 110.5° | 109.5° |
| C26 | C25 | H251 | 108.8° | 109.5° |
| C26 | C25 | H252 | 108.8° | 109.5° |
| C25 | C26 | C27 | 112.4° | 109.5° |
| C25 | C26 | H261 | 108.5° | 109.5° |
| C25 | C26 | H262 | 108.5° | 109.5° |
| H251 | C25 | H252 | 110.2° | 109.5° |
| C27 | C26 | H261 | 108.5° | 109.5° |
| C27 | C26 | H262 | 108.5° | 109.5° |
| C26 | C27 | H271 | 108.2° | 109.5° |
| C26 | C27 | H272 | 108.2° | 109.5° |
| H261 | C26 | H262 | 110.4° | 109.4° |
| H271 | C27 | H272 | 110.7° | 109.5° |
| H291 | N29 | H292 | 120.0° | 120.0° |
| O31 | C30 | O32 | 121.5° | 120.0° |
| C30 | O32 | HO32 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S5 | H1 | 180.0° | 179.7° |
| C1 | C2 | N3 | C6 | 178.9° | 180.0° |
| C1 | C2 | N3 | C4 | 3.0° | 0.1° |
| C2 | C1 | S5 | C4 | 2.0° | 0.0° |
| C1 | C2 | C6 | N28 | 8.8° | 0.0° |
| C1 | C2 | C6 | N29 | 172.4° | 180.0° |
| S5 | C1 | C2 | N3 | 3.2° | 0.0° |
| S5 | C1 | C2 | C6 | 175.7° | 180.0° |
| C1 | S5 | C4 | N3 | 0.3° | 0.0° |
| C1 | S5 | C4 | C7 | 178.3° | 179.9° |
| H1 | C1 | C2 | N3 | 176.8° | 179.7° |
| H1 | C1 | C2 | C6 | 4.3° | 0.3° |
| H1 | C1 | S5 | C4 | 178.0° | 179.7° |
| C2 | N3 | C4 | S5 | 1.4° | 0.1° |
| C2 | N3 | C4 | C7 | 179.8° | 179.9° |
| N3 | C2 | C6 | N28 | 170.0° | 180.0° |
| N3 | C2 | C6 | N29 | 8.7° | 0.0° |
| C6 | C2 | N3 | C4 | 175.9° | 180.0° |
| C2 | C6 | N28 | N29 | 178.7° | 180.0° |
| C2 | C6 | N28 | HN28 | 178.6° | 180.0° |
| C2 | C6 | N29 | H291 | 178.7° | 0.0° |
| C2 | C6 | N29 | H292 | 1.3° | 180.0° |
| N3 | C4 | S5 | C7 | 178.6° | 180.0° |
| N3 | C4 | C7 | N8 | 111.1° | 90.0° |
| N3 | C4 | C7 | H71 | 128.9° | 150.0° |
| N3 | C4 | C7 | H72 | 8.9° | 30.0° |
| S5 | C4 | C7 | N8 | 67.2° | 90.0° |
| S5 | C4 | C7 | H71 | 52.8° | 30.0° |
| S5 | C4 | C7 | H72 | 172.8° | 150.0° |
| C4 | C7 | N8 | H71 | 120.0° | 120.0° |
| C4 | C7 | N8 | H72 | 120.0° | 119.9° |
| C4 | C7 | H71 | H72 | 119.9° | 120.0° |
| C4 | C7 | N8 | C9 | 74.3° | 179.9° |
| C4 | C7 | N8 | HN8 | 105.7° | 0.0° |
| N28 | C6 | N29 | H291 | 0.0° | 180.0° |
| N28 | C6 | N29 | H292 | 180.0° | 0.0° |
| N29 | C6 | N28 | HN28 | 0.0° | 0.0° |
| C6 | N29 | H291 | H292 | 180.0° | 180.0° |
| N8 | C7 | H71 | H72 | 119.9° | 120.0° |
| C7 | N8 | C9 | HN8 | 180.0° | 179.9° |
| C7 | N8 | C9 | O10 | 1.6° | 0.1° |
| C7 | N8 | C9 | C11 | 174.5° | 180.0° |
| H71 | C7 | N8 | C9 | 45.7° | 60.1° |
| H71 | C7 | N8 | HN8 | 134.3° | 120.0° |
| H72 | C7 | N8 | C9 | 165.7° | 60.0° |
| H72 | C7 | N8 | HN8 | 14.3° | 119.9° |
| N8 | C9 | O10 | C11 | 175.9° | 180.0° |
| N8 | C9 | C11 | C12 | 109.0° | 93.4° |
| N8 | C9 | C11 | N15 | 134.1° | 151.2° |
| N8 | C9 | C11 | H11 | 15.1° | 28.9° |
| HN8 | N8 | C9 | O10 | 178.4° | 180.0° |
| HN8 | N8 | C9 | C11 | 5.5° | 0.1° |
| O10 | C9 | C11 | C12 | 74.8° | 86.7° |
| O10 | C9 | C11 | N15 | 42.0° | 28.8° |
| O10 | C9 | C11 | H11 | 161.1° | 151.1° |
| C9 | C11 | C12 | N15 | 125.5° | 118.8° |
| C9 | C11 | C12 | H11 | 115.2° | 122.2° |
| C9 | C11 | N15 | H11 | 115.0° | 122.2° |
| C9 | C11 | C12 | C13 | 134.4° | 155.9° |
| C9 | C11 | C12 | H121 | 14.4° | 37.8° |
| C9 | C11 | C12 | H122 | 105.6° | 86.1° |
| C9 | C11 | N15 | C14 | 133.2° | 143.0° |
| C9 | C11 | N15 | C16 | 41.8° | 37.1° |
| C12 | C11 | N15 | H11 | 124.2° | 118.9° |
| C11 | C12 | C13 | H121 | 120.0° | 118.1° |
| C11 | C12 | C13 | H122 | 120.0° | 118.1° |
| C11 | C12 | H121 | H122 | 119.7° | 123.9° |
| C11 | C12 | C13 | C14 | 2.4° | 35.5° |
| C11 | C12 | C13 | H131 | 122.4° | 153.8° |
| C11 | C12 | C13 | H132 | 117.5° | 82.8° |
| C12 | C11 | N15 | C14 | 12.3° | 24.2° |
| C12 | C11 | N15 | C16 | 162.7° | 156.0° |
| N15 | C11 | C12 | C13 | 8.9° | 37.0° |
| N15 | C11 | C12 | H121 | 111.2° | 81.1° |
| N15 | C11 | C12 | H122 | 128.8° | 155.1° |
| C11 | N15 | C14 | C13 | 10.9° | 1.1° |
| C11 | N15 | C14 | C16 | 174.7° | 179.9° |
| C11 | N15 | C14 | H141 | 131.0° | 120.4° |
| C11 | N15 | C14 | H142 | 109.1° | 118.3° |
| C11 | N15 | C16 | O17 | 12.2° | 4.6° |
| C11 | N15 | C16 | C18 | 168.6° | 175.5° |
| H11 | C11 | C12 | C13 | 110.5° | 82.0° |
| H11 | C11 | C12 | H121 | 129.5° | 160.0° |
| H11 | C11 | C12 | H122 | 9.5° | 36.1° |
| H11 | C11 | N15 | C14 | 111.9° | 94.8° |
| H11 | C11 | N15 | C16 | 73.1° | 85.1° |
| C13 | C12 | H121 | H122 | 119.7° | 123.9° |
| C12 | C13 | C14 | H131 | 120.0° | 118.4° |
| C12 | C13 | C14 | H132 | 120.0° | 118.3° |
| C12 | C13 | H131 | H132 | 118.9° | 123.3° |
| C12 | C13 | C14 | N15 | 5.2° | 22.1° |
| C12 | C13 | C14 | H141 | 125.2° | 97.2° |
| C12 | C13 | C14 | H142 | 114.8° | 141.6° |
| H121 | C12 | C13 | C14 | 117.6° | 82.6° |
| H121 | C12 | C13 | H131 | 2.4° | 35.8° |
| H121 | C12 | C13 | H132 | 122.4° | 159.1° |
| H122 | C12 | C13 | C14 | 122.5° | 153.5° |
| H122 | C12 | C13 | H131 | 117.5° | 88.1° |
| H122 | C12 | C13 | H132 | 2.5° | 35.2° |
| C14 | C13 | H131 | H132 | 118.9° | 123.2° |
| C13 | C14 | N15 | H141 | 120.0° | 119.3° |
| C13 | C14 | N15 | H142 | 120.0° | 119.5° |
| C13 | C14 | H141 | H142 | 122.7° | 121.1° |
| C13 | C14 | N15 | C16 | 163.8° | 179.0° |
| H131 | C13 | C14 | N15 | 114.8° | 140.5° |
| H131 | C13 | C14 | H141 | 5.2° | 21.2° |
| H131 | C13 | C14 | H142 | 125.2° | 100.0° |
| H132 | C13 | C14 | N15 | 125.2° | 96.2° |
| H132 | C13 | C14 | H141 | 114.8° | 144.5° |
| H132 | C13 | C14 | H142 | 5.1° | 23.3° |
| N15 | C14 | H141 | H142 | 122.7° | 121.2° |
| C14 | N15 | C16 | O17 | 173.7° | 175.6° |
| C14 | N15 | C16 | C18 | 5.6° | 4.3° |
| H141 | C14 | N15 | C16 | 43.8° | 59.7° |
| H142 | C14 | N15 | C16 | 76.2° | 61.5° |
| N15 | C16 | O17 | C18 | 179.2° | 179.9° |
| N15 | C16 | C18 | N19 | 147.9° | 157.1° |
| N15 | C16 | C18 | C21 | 101.0° | 82.9° |
| N15 | C16 | C18 | H18 | 25.6° | 37.1° |
| O17 | C16 | C18 | N19 | 32.9° | 22.9° |
| O17 | C16 | C18 | C21 | 78.3° | 97.1° |
| O17 | C16 | C18 | H18 | 155.1° | 142.9° |
| C16 | C18 | N19 | C21 | 113.5° | 120.0° |
| C16 | C18 | N19 | H18 | 120.3° | 120.0° |
| C16 | C18 | C21 | H18 | 119.5° | 120.0° |
| C16 | C18 | N19 | C20 | 71.8° | 67.3° |
| C16 | C18 | N19 | HN19 | 168.1° | 56.7° |
| C16 | C18 | C21 | C22 | 62.5° | 177.4° |
| C16 | C18 | C21 | H211 | 57.5° | 57.4° |
| C16 | C18 | C21 | H212 | 177.5° | 62.5° |
| N19 | C18 | C21 | H18 | 121.1° | 120.1° |
| C18 | N19 | C20 | HN19 | 120.0° | 124.0° |
| C18 | N19 | C20 | C30 | 176.9° | 174.4° |
| C18 | N19 | C20 | H201 | 56.9° | 54.4° |
| C18 | N19 | C20 | H202 | 63.1° | 65.5° |
| N19 | C18 | C21 | C22 | 178.1° | 62.6° |
| N19 | C18 | C21 | H211 | 61.9° | 177.4° |
| N19 | C18 | C21 | H212 | 58.1° | 57.4° |
| C21 | C18 | N19 | C20 | 174.7° | 52.7° |
| C21 | C18 | N19 | HN19 | 54.7° | 176.7° |
| C18 | C21 | C22 | H211 | 120.0° | 120.0° |
| C18 | C21 | C22 | H212 | 120.0° | 120.0° |
| C18 | C21 | H211 | H212 | 117.0° | 119.9° |
| C18 | C21 | C22 | C23 | 166.4° | 65.7° |
| C18 | C21 | C22 | C27 | 72.0° | 174.3° |
| C18 | C21 | C22 | H22 | 46.4° | 54.3° |
| H18 | C18 | N19 | C20 | 48.5° | 172.8° |
| H18 | C18 | N19 | HN19 | 71.6° | 63.2° |
| H18 | C18 | C21 | C22 | 57.0° | 57.5° |
| H18 | C18 | C21 | H211 | 177.0° | 62.6° |
| H18 | C18 | C21 | H212 | 63.0° | 177.5° |
| N19 | C20 | C30 | H201 | 120.0° | 120.0° |
| N19 | C20 | C30 | H202 | 120.0° | 120.0° |
| N19 | C20 | H201 | H202 | 117.3° | 120.0° |
| N19 | C20 | C30 | O31 | 178.9° | 0.0° |
| N19 | C20 | C30 | O32 | 0.4° | 180.0° |
| HN19 | N19 | C20 | C30 | 63.1° | 61.6° |
| HN19 | N19 | C20 | H201 | 176.9° | 178.4° |
| HN19 | N19 | C20 | H202 | 56.9° | 58.5° |
| C30 | C20 | H201 | H202 | 117.4° | 120.0° |
| C20 | C30 | O31 | O32 | 178.4° | 180.0° |
| C20 | C30 | O32 | HO32 | 178.4° | 179.9° |
| H201 | C20 | C30 | O31 | 58.9° | 120.0° |
| H201 | C20 | C30 | O32 | 119.6° | 60.0° |
| H202 | C20 | C30 | O31 | 61.1° | 120.0° |
| H202 | C20 | C30 | O32 | 120.4° | 60.0° |
| C22 | C21 | H211 | H212 | 117.0° | 120.0° |
| C21 | C22 | C23 | C27 | 123.9° | 120.0° |
| C21 | C22 | C23 | H22 | 117.5° | 120.0° |
| C21 | C22 | C27 | H22 | 117.3° | 120.0° |
| C21 | C22 | C23 | C24 | 179.4° | 180.0° |
| C21 | C22 | C23 | H231 | 59.5° | 60.0° |
| C21 | C22 | C23 | H232 | 60.5° | 60.1° |
| C21 | C22 | C27 | C26 | 178.2° | NaN° |
| C21 | C22 | C27 | H271 | 58.3° | 60.0° |
| C21 | C22 | C27 | H272 | 61.8° | 60.0° |
| H211 | C21 | C22 | C23 | 46.3° | 54.3° |
| H211 | C21 | C22 | C27 | 168.0° | 65.7° |
| H211 | C21 | C22 | H22 | 73.6° | 174.3° |
| H212 | C21 | C22 | C23 | 73.6° | 174.3° |
| H212 | C21 | C22 | C27 | 48.0° | 54.3° |
| H212 | C21 | C22 | H22 | 166.4° | 65.7° |
| C23 | C22 | C27 | H22 | 120.0° | 120.0° |
| C22 | C23 | C24 | H231 | 120.0° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.0° | 120.0° |
| C22 | C23 | C24 | C25 | 56.4° | 60.0° |
| C22 | C23 | C24 | H241 | 63.7° | 60.0° |
| C22 | C23 | C24 | H242 | 176.4° | 180.0° |
| C23 | C22 | C27 | C26 | 55.6° | 60.0° |
| C23 | C22 | C27 | H271 | 64.4° | 60.0° |
| C23 | C22 | C27 | H272 | 175.6° | 180.0° |
| C27 | C22 | C23 | C24 | 56.6° | 60.0° |
| C27 | C22 | C23 | H231 | 176.6° | 180.0° |
| C27 | C22 | C23 | H232 | 63.4° | 59.9° |
| C22 | C27 | C26 | C25 | 53.2° | 60.0° |
| C22 | C27 | C26 | H271 | 120.0° | 120.0° |
| C22 | C27 | C26 | H272 | 120.0° | 120.0° |
| C22 | C27 | C26 | H261 | 66.8° | 60.0° |
| C22 | C27 | C26 | H262 | 173.2° | 180.0° |
| C22 | C27 | H271 | H272 | 118.5° | 120.0° |
| H22 | C22 | C23 | C24 | 62.0° | 60.0° |
| H22 | C22 | C23 | H231 | 58.0° | 60.0° |
| H22 | C22 | C23 | H232 | 178.0° | 179.9° |
| H22 | C22 | C27 | C26 | 64.4° | 60.0° |
| H22 | C22 | C27 | H271 | 175.6° | 180.0° |
| H22 | C22 | C27 | H272 | 55.6° | 60.0° |
| C24 | C23 | H231 | H232 | 119.0° | 120.0° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 118.7° | 120.0° |
| C23 | C24 | C25 | C26 | 51.7° | 60.0° |
| C23 | C24 | C25 | H251 | 171.7° | 180.0° |
| C23 | C24 | C25 | H252 | 68.2° | 60.0° |
| H231 | C23 | C24 | C25 | 176.4° | 180.0° |
| H231 | C23 | C24 | H241 | 56.4° | 60.0° |
| H231 | C23 | C24 | H242 | 63.6° | 60.0° |
| H232 | C23 | C24 | C25 | 63.6° | 60.0° |
| H232 | C23 | C24 | H241 | 176.4° | 180.0° |
| H232 | C23 | C24 | H242 | 56.4° | 60.0° |
| C25 | C24 | H241 | H242 | 118.7° | 120.0° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 119.2° | 120.0° |
| C24 | C25 | C26 | C27 | 49.9° | 60.0° |
| C24 | C25 | C26 | H261 | 70.1° | 60.0° |
| C24 | C25 | C26 | H262 | 169.9° | 180.0° |
| H241 | C24 | C25 | C26 | 68.3° | 60.0° |
| H241 | C24 | C25 | H251 | 51.7° | 60.0° |
| H241 | C24 | C25 | H252 | 171.8° | 179.9° |
| H242 | C24 | C25 | C26 | 171.8° | 180.0° |
| H242 | C24 | C25 | H251 | 68.3° | 60.0° |
| H242 | C24 | C25 | H252 | 51.8° | 60.0° |
| C26 | C25 | H251 | H252 | 119.1° | 120.0° |
| C25 | C26 | C27 | H261 | 120.0° | 120.1° |
| C25 | C26 | C27 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H262 | 118.8° | 120.0° |
| C25 | C26 | C27 | H271 | 66.8° | 60.0° |
| C25 | C26 | C27 | H272 | 173.2° | 180.0° |
| H251 | C25 | C26 | C27 | 169.9° | 180.0° |
| H251 | C25 | C26 | H261 | 49.9° | 59.9° |
| H251 | C25 | C26 | H262 | 70.1° | 60.0° |
| H252 | C25 | C26 | C27 | 70.1° | 60.0° |
| H252 | C25 | C26 | H261 | 169.9° | 180.0° |
| H252 | C25 | C26 | H262 | 49.9° | 60.1° |
| C27 | C26 | H261 | H262 | 118.8° | 120.0° |
| C26 | C27 | H271 | H272 | 118.5° | 120.0° |
| H261 | C26 | C27 | H271 | 173.2° | 180.0° |
| H261 | C26 | C27 | H272 | 53.2° | 60.0° |
| H262 | C26 | C27 | H271 | 53.2° | 60.0° |
| H262 | C26 | C27 | H272 | 66.8° | 60.0° |
| O31 | C30 | O32 | HO32 | 0.0° | 0.1° |
