GR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | sing | 1.46Å | 1.47Å | |
| N1 | C26 | sing | 1.35Å | 1.34Å | |
| N1 | C1 | sing | 1.46Å | 1.49Å | |
| C7 | C27 | sing | 1.53Å | 1.51Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| O1 | C26 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C24 | sing | 1.48Å | 1.50Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C21 | N2 | doub | 1.29Å | 1.32Å | |
| C21 | N3 | sing | 1.37Å | 1.36Å | |
| N2 | H2N | sing | 0.97Å | 1.02Å | |
| N3 | H32 | sing | 0.97Å | 1.02Å | |
| N3 | H31 | sing | 0.97Å | 1.02Å | |
| O2 | C15 | doub | 1.21Å | 1.20Å | |
| O2A | C15 | sing | 1.34Å | 1.26Å | |
| O2A | H2O | sing | 0.97Å | 0.95Å | |
| O3 | C13 | sing | 1.43Å | 1.46Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C10 | C13 | sing | 1.54Å | 1.58Å | |
| C10 | C16 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.50Å | |
| C11 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3C1 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C26 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C2 | H23A | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C26 | 123.3° | 120.0° |
| C7 | N1 | C1 | 121.6° | 120.0° |
| N1 | C7 | C27 | 111.4° | 109.5° |
| N1 | C7 | H72 | 111.5° | 109.5° |
| N1 | C7 | H71 | 111.6° | 109.5° |
| C26 | N1 | C1 | 114.9° | 120.0° |
| N1 | C26 | O1 | 118.7° | 119.9° |
| N1 | C26 | C5 | 121.5° | 120.0° |
| N1 | C1 | C2 | 117.3° | 109.5° |
| N1 | C1 | H12 | 109.4° | 109.5° |
| N1 | C1 | H11 | 109.3° | 109.4° |
| C27 | C7 | H72 | 111.5° | 109.5° |
| C27 | C7 | H71 | 111.5° | 109.4° |
| C7 | C27 | H273 | 111.3° | 109.5° |
| C7 | C27 | H272 | 111.5° | 109.4° |
| C7 | C27 | H271 | 111.5° | 109.5° |
| H72 | C7 | H71 | 98.8° | 109.5° |
| O1 | C26 | C5 | 119.7° | 120.0° |
| C9 | C8 | C24 | 124.2° | 120.0° |
| C9 | C8 | C6 | 118.5° | 119.9° |
| C8 | C9 | C3 | 120.0° | 120.2° |
| C8 | C9 | H9 | 120.1° | 119.9° |
| C24 | C8 | C6 | 117.2° | 120.1° |
| C8 | C24 | C23 | 120.2° | 120.1° |
| C8 | C24 | C25 | 120.3° | 120.2° |
| C8 | C6 | C5 | 122.0° | 119.8° |
| C8 | C6 | H6 | 118.9° | 120.1° |
| C3 | C9 | H9 | 119.9° | 119.9° |
| C9 | C3 | C4 | 120.8° | 120.3° |
| C9 | C3 | H3C1 | 119.6° | 119.9° |
| C18 | C17 | C16 | 114.6° | 109.5° |
| C18 | C17 | H172 | 110.3° | 109.5° |
| C18 | C17 | H171 | 110.3° | 109.5° |
| C17 | C18 | C19 | 111.1° | 109.5° |
| C17 | C18 | H182 | 111.6° | 109.5° |
| C17 | C18 | H181 | 111.6° | 109.4° |
| C16 | C17 | H172 | 110.3° | 109.5° |
| C16 | C17 | H171 | 110.3° | 109.4° |
| C17 | C16 | C10 | 120.8° | 109.5° |
| C17 | C16 | C15 | 105.5° | 109.5° |
| C17 | C16 | H16 | 104.8° | 109.5° |
| H172 | C17 | H171 | 100.0° | 109.5° |
| C19 | C18 | H182 | 111.6° | 109.5° |
| C19 | C18 | H181 | 111.6° | 109.4° |
| C18 | C19 | C20 | 113.9° | 109.5° |
| C18 | C19 | H192 | 110.6° | 109.5° |
| C18 | C19 | H191 | 110.6° | 109.4° |
| H182 | C18 | H181 | 98.8° | 109.4° |
| C20 | C19 | H192 | 110.6° | 109.5° |
| C20 | C19 | H191 | 110.6° | 109.5° |
| C19 | C20 | C21 | 115.6° | 109.5° |
| C19 | C20 | H202 | 110.0° | 109.5° |
| C19 | C20 | H201 | 110.0° | 109.5° |
| H192 | C19 | H191 | 99.7° | 109.4° |
| C21 | C20 | H202 | 110.0° | 109.4° |
| C21 | C20 | H201 | 109.9° | 109.4° |
| C20 | C21 | N2 | 116.2° | 120.0° |
| C20 | C21 | N3 | 123.3° | 120.0° |
| H202 | C20 | H201 | 100.3° | 109.5° |
| N2 | C21 | N3 | 120.5° | 120.0° |
| C21 | N2 | H2N | 116.4° | 120.0° |
| C21 | N3 | H32 | 123.2° | 120.0° |
| C21 | N3 | H31 | 107.3° | 120.0° |
| H32 | N3 | H31 | 107.4° | 120.0° |
| O2 | C15 | O2A | 119.4° | 120.0° |
| O2 | C15 | C16 | 115.1° | 120.0° |
| C15 | O2A | H2O | 119.4° | 120.0° |
| O2A | C15 | C16 | 123.8° | 120.0° |
| C13 | O3 | H3 | 120.3° | 106.8° |
| O3 | C13 | C10 | 120.3° | 110.8° |
| O3 | C13 | C14 | 110.6° | 111.0° |
| O3 | C13 | H13 | 98.8° | 110.7° |
| C12 | C10 | C13 | 100.3° | 105.2° |
| C12 | C10 | C16 | 120.6° | 110.3° |
| C12 | C10 | H10 | 111.2° | 110.4° |
| C10 | C12 | C11 | 108.2° | 109.7° |
| C10 | C12 | C22 | 130.8° | 130.3° |
| C13 | C10 | C16 | 116.0° | 110.4° |
| C13 | C10 | H10 | 116.3° | 110.4° |
| C10 | C13 | C14 | 101.6° | 102.4° |
| C10 | C13 | H13 | 108.2° | 110.8° |
| C16 | C10 | H10 | 93.5° | 110.2° |
| C10 | C16 | C15 | 110.4° | 109.5° |
| C10 | C16 | H16 | 99.3° | 109.4° |
| C12 | C11 | C14 | 112.0° | 109.7° |
| C12 | C11 | C25 | 122.4° | 120.0° |
| C11 | C12 | C22 | 120.9° | 120.0° |
| C14 | C11 | C25 | 125.5° | 130.3° |
| C11 | C14 | C13 | 101.5° | 105.2° |
| C11 | C14 | H142 | 115.2° | 110.3° |
| C11 | C14 | H141 | 115.2° | 110.3° |
| C11 | C25 | C24 | 117.6° | 120.1° |
| C11 | C25 | H25 | 120.6° | 119.9° |
| C12 | C22 | C23 | 117.1° | 120.4° |
| C12 | C22 | H22 | 121.6° | 119.7° |
| C14 | C13 | H13 | 118.4° | 110.9° |
| C13 | C14 | H142 | 115.3° | 110.3° |
| C13 | C14 | H141 | 115.3° | 110.3° |
| H142 | C14 | H141 | 95.2° | 110.3° |
| C23 | C22 | H22 | 121.3° | 119.9° |
| C22 | C23 | C24 | 122.3° | 119.8° |
| C22 | C23 | H23 | 118.1° | 120.1° |
| C24 | C23 | H23 | 119.5° | 120.1° |
| C23 | C24 | C25 | 119.4° | 119.7° |
| C24 | C25 | H25 | 121.7° | 119.9° |
| C4 | C3 | H3C1 | 119.6° | 119.9° |
| C3 | C4 | C5 | 118.6° | 120.1° |
| C3 | C4 | H4 | 120.9° | 119.9° |
| C5 | C4 | H4 | 120.5° | 119.9° |
| C4 | C5 | C26 | 125.2° | 120.1° |
| C4 | C5 | C6 | 120.1° | 119.8° |
| C26 | C5 | C6 | 114.1° | 120.1° |
| C5 | C6 | H6 | 119.1° | 120.1° |
| H273 | C27 | H272 | 111.5° | 109.4° |
| H273 | C27 | H271 | 111.6° | 109.5° |
| H272 | C27 | H271 | 98.9° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.4° | 109.4° |
| C1 | C2 | H23A | 117.4° | 109.5° |
| C1 | C2 | H22A | 109.3° | 109.5° |
| C1 | C2 | H21 | 109.3° | 109.5° |
| H12 | C1 | H11 | 100.8° | 109.4° |
| H23A | C2 | H22A | 109.4° | 109.5° |
| H23A | C2 | H21 | 109.4° | 109.4° |
| H22A | C2 | H21 | 100.7° | 109.5° |
| C15 | C16 | H16 | 116.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C26 | C1 | 175.4° | 180.0° |
| N1 | C7 | C27 | H72 | 125.3° | 120.1° |
| N1 | C7 | C27 | H71 | 125.3° | 120.0° |
| N1 | C7 | H72 | H71 | 117.4° | 120.0° |
| C7 | N1 | C26 | O1 | 162.3° | 6.6° |
| C7 | N1 | C26 | C5 | 20.8° | 173.3° |
| N1 | C7 | C27 | H273 | 180.0° | 180.0° |
| N1 | C7 | C27 | H272 | 54.8° | 60.0° |
| N1 | C7 | C27 | H271 | 54.7° | 59.9° |
| C7 | N1 | C1 | C2 | 116.2° | 84.4° |
| C7 | N1 | C1 | H12 | 118.5° | 35.7° |
| C7 | N1 | C1 | H11 | 9.0° | 155.7° |
| C26 | N1 | C7 | C27 | 87.5° | 89.9° |
| C26 | N1 | C7 | H72 | 37.8° | 150.0° |
| C26 | N1 | C7 | H71 | 147.2° | 30.0° |
| N1 | C26 | O1 | C5 | 176.9° | 179.9° |
| N1 | C26 | C5 | C4 | 77.3° | 46.0° |
| N1 | C26 | C5 | C6 | 111.0° | 133.8° |
| C26 | N1 | C1 | C2 | 68.3° | 95.6° |
| C26 | N1 | C1 | H12 | 57.0° | 144.3° |
| C26 | N1 | C1 | H11 | 166.5° | 24.3° |
| C1 | N1 | C7 | C27 | 87.6° | 90.0° |
| C1 | N1 | C7 | H72 | 147.1° | 30.0° |
| C1 | N1 | C7 | H71 | 37.7° | 150.0° |
| C1 | N1 | C26 | O1 | 22.3° | 173.3° |
| C1 | N1 | C26 | C5 | 154.6° | 6.7° |
| N1 | C1 | C2 | H12 | 125.2° | 120.1° |
| N1 | C1 | C2 | H11 | 125.2° | 120.0° |
| N1 | C1 | H12 | H11 | 115.1° | 120.0° |
| N1 | C1 | C2 | H23A | 180.0° | 163.2° |
| N1 | C1 | C2 | H22A | 54.7° | 43.2° |
| N1 | C1 | C2 | H21 | 54.7° | 76.9° |
| C27 | C7 | H72 | H71 | 117.4° | 119.9° |
| C7 | C27 | H273 | H272 | 125.2° | 119.9° |
| C7 | C27 | H273 | H271 | 125.2° | 120.1° |
| C7 | C27 | H272 | H271 | 117.4° | 120.0° |
| H72 | C7 | C27 | H273 | 54.7° | 59.9° |
| H72 | C7 | C27 | H272 | 179.9° | 60.0° |
| H72 | C7 | C27 | H271 | 70.6° | 180.0° |
| H71 | C7 | C27 | H273 | 54.6° | 60.0° |
| H71 | C7 | C27 | H272 | 70.6° | 180.0° |
| H71 | C7 | C27 | H271 | 179.9° | 60.0° |
| O1 | C26 | C5 | C4 | 105.9° | 134.1° |
| O1 | C26 | C5 | C6 | 65.8° | 46.1° |
| C9 | C8 | C24 | C6 | 179.0° | 179.8° |
| C8 | C9 | C3 | H9 | 180.0° | 179.9° |
| C9 | C8 | C24 | C23 | 33.4° | 140.3° |
| C9 | C8 | C24 | C25 | 149.0° | 40.0° |
| C8 | C9 | C3 | C4 | 0.6° | 0.0° |
| C8 | C9 | C3 | H3C1 | 179.5° | 180.0° |
| C9 | C8 | C6 | C5 | 0.6° | 0.6° |
| C9 | C8 | C6 | H6 | 179.4° | 180.0° |
| C24 | C8 | C9 | C3 | 177.7° | 179.9° |
| C24 | C8 | C9 | H9 | 2.3° | 0.0° |
| C8 | C24 | C25 | C11 | 174.9° | 179.7° |
| C8 | C24 | C23 | C22 | 173.8° | 180.0° |
| C8 | C24 | C23 | C25 | 177.6° | 179.7° |
| C8 | C24 | C23 | H23 | 6.2° | 0.0° |
| C8 | C24 | C25 | H25 | 5.2° | 0.0° |
| C24 | C8 | C6 | C5 | 178.4° | 179.6° |
| C24 | C8 | C6 | H6 | 1.6° | 0.2° |
| C6 | C8 | C9 | C3 | 1.2° | 0.3° |
| C6 | C8 | C9 | H9 | 178.8° | 179.8° |
| C6 | C8 | C24 | C23 | 145.6° | 39.5° |
| C6 | C8 | C24 | C25 | 32.0° | 140.2° |
| C8 | C6 | C5 | C4 | 0.7° | 0.6° |
| C8 | C6 | C5 | C26 | 171.5° | 179.7° |
| C8 | C6 | C5 | H6 | 180.0° | 179.5° |
| C9 | C3 | C4 | H3C1 | 180.0° | 180.0° |
| C9 | C3 | C4 | C5 | 0.7° | 0.0° |
| C9 | C3 | C4 | H4 | 179.3° | 180.0° |
| H9 | C9 | C3 | C4 | 179.4° | 179.9° |
| H9 | C9 | C3 | H3C1 | 0.6° | 0.1° |
| C18 | C17 | C16 | H172 | 125.2° | 120.0° |
| C18 | C17 | C16 | H171 | 125.3° | 120.0° |
| C18 | C17 | H172 | H171 | 116.2° | 120.0° |
| C17 | C18 | C19 | H182 | 125.2° | 120.1° |
| C17 | C18 | C19 | H181 | 125.3° | 120.0° |
| C17 | C18 | H182 | H181 | 117.5° | 119.9° |
| C17 | C18 | C19 | C20 | 26.5° | 180.0° |
| C17 | C18 | C19 | H192 | 151.7° | 59.9° |
| C17 | C18 | C19 | H191 | 98.8° | 60.0° |
| C18 | C17 | C16 | C10 | 53.0° | 180.0° |
| C18 | C17 | C16 | C15 | 72.8° | 59.9° |
| C18 | C17 | C16 | H16 | 163.7° | 60.0° |
| C16 | C17 | H172 | H171 | 116.2° | 119.9° |
| C16 | C17 | C18 | C19 | 179.1° | 180.0° |
| C16 | C17 | C18 | H182 | 53.9° | 60.0° |
| C16 | C17 | C18 | H181 | 55.6° | 60.0° |
| C17 | C16 | C15 | O2 | 72.4° | 120.0° |
| C17 | C16 | C15 | O2A | 92.8° | 59.9° |
| C17 | C16 | C10 | C12 | 39.6° | 61.5° |
| C17 | C16 | C10 | C13 | 160.9° | 177.2° |
| C17 | C16 | C10 | C15 | 123.6° | 120.1° |
| C17 | C16 | C10 | H16 | 113.5° | 120.0° |
| C17 | C16 | C10 | H10 | 77.6° | 60.6° |
| C17 | C16 | C15 | H16 | 115.8° | 120.0° |
| H172 | C17 | C18 | C19 | 53.9° | 60.0° |
| H172 | C17 | C18 | H182 | 71.4° | 180.0° |
| H172 | C17 | C18 | H181 | 179.2° | 60.0° |
| H172 | C17 | C16 | C10 | 72.2° | 60.0° |
| H172 | C17 | C16 | C15 | 162.0° | 180.0° |
| H172 | C17 | C16 | H16 | 38.5° | 60.0° |
| H171 | C17 | C18 | C19 | 55.6° | 60.0° |
| H171 | C17 | C18 | H182 | 179.2° | 60.0° |
| H171 | C17 | C18 | H181 | 69.7° | 180.0° |
| H171 | C17 | C16 | C10 | 178.3° | 60.0° |
| H171 | C17 | C16 | C15 | 52.5° | 60.1° |
| H171 | C17 | C16 | H16 | 71.0° | 179.9° |
| C19 | C18 | H182 | H181 | 117.5° | 119.9° |
| C18 | C19 | C20 | H192 | 125.3° | 120.1° |
| C18 | C19 | C20 | H191 | 125.3° | 119.9° |
| C18 | C19 | H192 | H191 | 116.5° | 119.9° |
| C18 | C19 | C20 | C21 | 161.6° | 180.0° |
| C18 | C19 | C20 | H202 | 73.1° | 60.0° |
| C18 | C19 | C20 | H201 | 36.4° | 60.1° |
| H182 | C18 | C19 | C20 | 98.8° | 59.9° |
| H182 | C18 | C19 | H192 | 26.5° | 180.0° |
| H182 | C18 | C19 | H191 | 136.0° | 60.1° |
| H181 | C18 | C19 | C20 | 151.8° | 60.0° |
| H181 | C18 | C19 | H192 | 83.0° | 60.1° |
| H181 | C18 | C19 | H191 | 26.5° | 180.0° |
| C20 | C19 | H192 | H191 | 116.4° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.0° |
| C19 | C20 | C21 | H201 | 125.2° | 120.0° |
| C19 | C20 | H202 | H201 | 115.8° | 120.0° |
| C19 | C20 | C21 | N2 | 170.8° | 0.0° |
| C19 | C20 | C21 | N3 | 9.5° | 180.0° |
| H192 | C19 | C20 | C21 | 36.4° | 60.0° |
| H192 | C19 | C20 | H202 | 161.7° | 180.0° |
| H192 | C19 | C20 | H201 | 88.8° | 60.0° |
| H191 | C19 | C20 | C21 | 73.1° | 60.0° |
| H191 | C19 | C20 | H202 | 52.2° | 60.0° |
| H191 | C19 | C20 | H201 | 161.7° | 180.0° |
| C21 | C20 | H202 | H201 | 115.8° | 120.0° |
| C20 | C21 | N2 | N3 | 179.8° | 180.0° |
| C20 | C21 | N2 | H2N | 43.9° | 180.0° |
| C20 | C21 | N3 | H32 | 179.9° | 180.0° |
| C20 | C21 | N3 | H31 | 54.7° | 0.0° |
| H202 | C20 | C21 | N2 | 64.0° | 120.0° |
| H202 | C20 | C21 | N3 | 115.8° | 60.0° |
| H201 | C20 | C21 | N2 | 45.6° | 120.0° |
| H201 | C20 | C21 | N3 | 134.7° | 60.0° |
| N2 | C21 | N3 | H32 | 0.3° | 0.0° |
| N2 | C21 | N3 | H31 | 125.0° | 179.9° |
| N3 | C21 | N2 | H2N | 136.4° | 0.0° |
| C21 | N3 | H32 | H31 | 125.3° | 179.9° |
| O2 | C15 | O2A | C16 | 164.6° | 179.9° |
| O2 | C15 | O2A | H2O | 180.0° | 0.1° |
| O2 | C15 | C16 | C10 | 155.6° | 0.1° |
| O2 | C15 | C16 | H16 | 43.4° | 120.0° |
| O2A | C15 | C16 | C10 | 39.3° | 179.9° |
| O2A | C15 | C16 | H16 | 151.5° | 60.1° |
| H2O | O2A | C15 | C16 | 15.4° | 180.0° |
| O3 | C13 | C10 | C12 | 161.9° | 92.1° |
| O3 | C13 | C10 | C14 | 122.4° | 118.4° |
| O3 | C13 | C10 | H13 | 112.3° | 123.2° |
| O3 | C13 | C10 | C16 | 66.5° | 149.0° |
| O3 | C13 | C10 | H10 | 41.9° | 26.9° |
| O3 | C13 | C14 | C11 | 163.3° | 91.9° |
| O3 | C13 | C14 | H13 | 112.9° | 123.4° |
| O3 | C13 | C14 | H142 | 38.0° | 149.2° |
| O3 | C13 | C14 | H141 | 71.4° | 27.0° |
| H3 | O3 | C13 | C10 | 180.0° | 180.0° |
| H3 | O3 | C13 | C14 | 62.0° | 66.9° |
| H3 | O3 | C13 | H13 | 62.8° | 56.6° |
| C12 | C10 | C13 | C16 | 131.6° | 118.9° |
| C12 | C10 | C13 | H10 | 120.0° | 119.0° |
| C12 | C10 | C16 | H10 | 117.2° | 122.1° |
| C10 | C12 | C11 | C22 | 178.9° | 179.9° |
| C10 | C12 | C11 | C14 | 9.0° | 0.1° |
| C10 | C12 | C11 | C25 | 174.6° | 179.7° |
| C12 | C10 | C13 | C14 | 39.5° | 26.3° |
| C12 | C10 | C13 | H13 | 85.8° | 144.7° |
| C10 | C12 | C22 | C23 | 175.5° | 179.9° |
| C10 | C12 | C22 | H22 | 4.5° | 0.0° |
| C12 | C10 | C16 | C15 | 163.2° | 178.5° |
| C12 | C10 | C16 | H16 | 73.9° | 58.6° |
| C13 | C10 | C16 | H10 | 121.6° | 122.2° |
| C13 | C10 | C12 | C11 | 30.3° | 17.1° |
| C10 | C13 | C14 | C11 | 34.4° | 26.4° |
| C13 | C10 | C12 | C22 | 150.9° | 162.8° |
| C10 | C13 | C14 | H13 | 118.3° | 118.3° |
| C10 | C13 | C14 | H142 | 90.9° | 92.6° |
| C10 | C13 | C14 | H141 | 159.7° | 145.3° |
| C13 | C10 | C16 | C15 | 75.5° | 62.7° |
| C13 | C10 | C16 | H16 | 47.3° | 57.2° |
| C16 | C10 | C12 | C11 | 159.0° | 101.9° |
| C16 | C10 | C12 | C22 | 22.2° | 78.2° |
| C16 | C10 | C13 | C14 | 171.1° | 92.6° |
| C16 | C10 | C13 | H13 | 45.7° | 25.7° |
| C10 | C16 | C15 | H16 | 112.2° | 119.9° |
| H10 | C10 | C12 | C11 | 93.2° | 136.1° |
| H10 | C10 | C12 | C22 | 85.5° | 43.8° |
| H10 | C10 | C13 | C14 | 80.5° | 145.3° |
| H10 | C10 | C13 | H13 | 154.2° | 96.3° |
| H10 | C10 | C16 | C15 | 46.0° | 59.4° |
| H10 | C10 | C16 | H16 | 168.9° | 179.4° |
| C12 | C11 | C14 | C25 | 176.2° | 179.8° |
| C12 | C11 | C14 | C13 | 17.2° | 17.3° |
| C12 | C11 | C14 | H142 | 108.1° | 101.7° |
| C12 | C11 | C14 | H141 | 142.5° | 136.2° |
| C11 | C12 | C22 | C23 | 3.1° | 0.0° |
| C11 | C12 | C22 | H22 | 176.9° | 179.9° |
| C12 | C11 | C25 | C24 | 1.2° | 0.5° |
| C12 | C11 | C25 | H25 | 178.9° | 179.8° |
| C14 | C11 | C12 | C22 | 172.1° | 180.0° |
| C11 | C14 | C13 | H142 | 125.3° | 119.0° |
| C11 | C14 | C13 | H141 | 125.2° | 118.9° |
| C11 | C14 | C13 | H13 | 83.8° | 144.7° |
| C11 | C14 | H142 | H141 | 121.0° | 122.1° |
| C14 | C11 | C25 | C24 | 174.7° | 179.8° |
| C14 | C11 | C25 | H25 | 5.2° | 0.0° |
| C25 | C11 | C12 | C22 | 4.2° | 0.2° |
| C25 | C11 | C14 | C13 | 159.0° | 162.5° |
| C25 | C11 | C14 | H142 | 75.6° | 78.6° |
| C25 | C11 | C14 | H141 | 33.8° | 43.6° |
| C11 | C25 | C24 | C23 | 2.7° | 0.5° |
| C11 | C25 | C24 | H25 | 180.0° | 179.7° |
| C12 | C22 | C23 | H22 | 180.0° | 180.0° |
| C12 | C22 | C23 | C24 | 0.8° | 0.0° |
| C12 | C22 | C23 | H23 | 179.2° | 179.9° |
| C13 | C14 | H142 | H141 | 121.1° | 122.1° |
| H13 | C13 | C14 | H142 | 150.9° | 25.7° |
| H13 | C13 | C14 | H141 | 41.4° | 96.4° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 3.8° | 0.3° |
| H22 | C22 | C23 | C24 | 179.2° | 180.0° |
| H22 | C22 | C23 | H23 | 0.8° | 0.1° |
| C23 | C24 | C25 | H25 | 177.2° | 179.7° |
| H23 | C23 | C24 | C25 | 176.2° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C26 | 169.9° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.3° |
| H3C1 | C3 | C4 | C5 | 179.3° | 180.0° |
| H3C1 | C3 | C4 | H4 | 0.8° | 0.0° |
| C4 | C5 | C26 | C6 | 171.7° | 179.8° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| H4 | C4 | C5 | C26 | 10.1° | 0.0° |
| H4 | C4 | C5 | C6 | 178.6° | 179.7° |
| C26 | C5 | C6 | H6 | 8.5° | 0.2° |
| H273 | C27 | H272 | H271 | 117.5° | 120.0° |
| C2 | C1 | H12 | H11 | 115.1° | 120.0° |
| C1 | C2 | H23A | H22A | 125.3° | 120.0° |
| C1 | C2 | H23A | H21 | 125.3° | 120.0° |
| C1 | C2 | H22A | H21 | 115.1° | 120.0° |
| H12 | C1 | C2 | H23A | 54.8° | 76.7° |
| H12 | C1 | C2 | H22A | 180.0° | 163.3° |
| H12 | C1 | C2 | H21 | 70.6° | 43.2° |
| H11 | C1 | C2 | H23A | 54.7° | 43.3° |
| H11 | C1 | C2 | H22A | 70.5° | 76.8° |
| H11 | C1 | C2 | H21 | 179.9° | 163.2° |
| H23A | C2 | H22A | H21 | 115.2° | 119.9° |
