3GM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C16 | sing | 1.51Å | 1.47Å | |
| C9 | C18 | sing | 1.51Å | 1.48Å | |
| C10 | C21 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | O35 | sing | 1.36Å | 1.37Å | |
| C12 | O34 | sing | 1.36Å | 1.38Å | |
| C13 | O29 | doub | 1.21Å | 1.25Å | |
| C13 | O31 | sing | 1.35Å | 1.26Å | |
| C14 | C22 | sing | 1.51Å | 1.50Å | |
| C14 | N27 | sing | 1.35Å | 1.37Å | |
| C14 | O32 | doub | 1.21Å | 1.22Å | |
| C15 | C23 | sing | 1.51Å | 1.50Å | |
| C15 | O30 | sing | 1.34Å | 1.27Å | |
| C15 | O33 | doub | 1.21Å | 1.26Å | |
| C16 | C19 | sing | 1.54Å | 1.52Å | |
| C17 | C20 | sing | 1.54Å | 1.51Å | |
| C17 | O34 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C18 | C21 | sing | 1.53Å | 1.51Å | |
| C19 | N27 | sing | 1.46Å | 1.44Å | |
| C20 | C24 | sing | 1.53Å | 1.51Å | |
| C20 | O35 | sing | 1.43Å | 1.43Å | |
| C22 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | N28 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N28 | H281 | sing | 1.01Å | 1.00Å | |
| N28 | H282 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.0° | 119.9° |
| C1 | C2 | C4 | 120.7° | 119.9° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 119.6° | 120.1° |
| C1 | C3 | C8 | 118.7° | 120.2° |
| C3 | C1 | H1 | 120.0° | 120.1° |
| C1 | C3 | H3 | 120.7° | 119.8° |
| C2 | C4 | C9 | 119.0° | 120.2° |
| C4 | C2 | H2 | 119.6° | 120.0° |
| C2 | C4 | H4 | 120.5° | 119.9° |
| C3 | C8 | C9 | 121.7° | 119.8° |
| C3 | C8 | C16 | 126.2° | 130.4° |
| C8 | C3 | H3 | 120.7° | 119.9° |
| C4 | C9 | C8 | 119.8° | 119.8° |
| C4 | C9 | C18 | 128.8° | 130.4° |
| C9 | C4 | H4 | 120.5° | 119.9° |
| C6 | C5 | C10 | 120.7° | 120.4° |
| C5 | C6 | C11 | 119.5° | 120.4° |
| C6 | C5 | H5 | 119.7° | 119.8° |
| C5 | C6 | H6 | 120.3° | 119.8° |
| C5 | C10 | C7 | 119.2° | 119.9° |
| C5 | C10 | C21 | 123.0° | 120.0° |
| C10 | C5 | H5 | 119.6° | 119.8° |
| C6 | C11 | C12 | 120.5° | 119.9° |
| C6 | C11 | O35 | 116.7° | 119.4° |
| C11 | C6 | H6 | 120.2° | 119.8° |
| C10 | C7 | C12 | 119.9° | 119.7° |
| C10 | C7 | C13 | 121.9° | 120.2° |
| C7 | C10 | C21 | 117.9° | 120.0° |
| C12 | C7 | C13 | 118.2° | 120.1° |
| C7 | C12 | C11 | 120.1° | 119.6° |
| C7 | C12 | O34 | 119.0° | 119.4° |
| C7 | C13 | O29 | 118.6° | 120.0° |
| C7 | C13 | O31 | 116.4° | 120.0° |
| C9 | C8 | C16 | 112.1° | 109.8° |
| C8 | C9 | C18 | 111.4° | 109.7° |
| C8 | C16 | C19 | 102.0° | 105.2° |
| C8 | C16 | H161 | 111.3° | 110.4° |
| C8 | C16 | H162 | 111.3° | 110.3° |
| C9 | C18 | C19 | 101.4° | 105.2° |
| C9 | C18 | C21 | 105.1° | 110.3° |
| C9 | C18 | H18 | 111.9° | 110.3° |
| C10 | C21 | C18 | 116.3° | 109.5° |
| C10 | C21 | H211 | 107.7° | 109.5° |
| C10 | C21 | H212 | 107.8° | 109.4° |
| C12 | C11 | O35 | 122.8° | 120.7° |
| C11 | C12 | O34 | 120.8° | 120.9° |
| C11 | O35 | C20 | 113.6° | 116.7° |
| C12 | O34 | C17 | 106.6° | 116.7° |
| O29 | C13 | O31 | 125.0° | 120.0° |
| C13 | O31 | H31 | 109.5° | 117.0° |
| C22 | C14 | N27 | 109.6° | 120.0° |
| C22 | C14 | O32 | 124.8° | 120.0° |
| C14 | C22 | C25 | 111.0° | 109.5° |
| C14 | C22 | H221 | 109.1° | 109.5° |
| C14 | C22 | H222 | 109.1° | 109.4° |
| N27 | C14 | O32 | 125.5° | 120.0° |
| C14 | N27 | C19 | 124.2° | 120.0° |
| C14 | N27 | H27 | 117.9° | 120.0° |
| C23 | C15 | O30 | 115.3° | 120.0° |
| C23 | C15 | O33 | 112.1° | 120.0° |
| C15 | C23 | C24 | 99.8° | 109.4° |
| C15 | C23 | H231 | 111.8° | 109.5° |
| C15 | C23 | H232 | 111.9° | 109.5° |
| O30 | C15 | O33 | 132.6° | 120.0° |
| C15 | O30 | H30 | 109.5° | 117.0° |
| C16 | C19 | C18 | 107.2° | 102.4° |
| C16 | C19 | N27 | 105.5° | 110.8° |
| C19 | C16 | H161 | 111.3° | 110.3° |
| C19 | C16 | H162 | 111.3° | 110.3° |
| C16 | C19 | H19 | 107.4° | 110.8° |
| C20 | C17 | O34 | 109.2° | 108.2° |
| C17 | C20 | C24 | 108.2° | 109.7° |
| C17 | C20 | O35 | 115.4° | 108.2° |
| C20 | C17 | H171 | 109.5° | 109.7° |
| C20 | C17 | H172 | 109.5° | 109.7° |
| C17 | C20 | H20 | 109.0° | 109.7° |
| O34 | C17 | H171 | 109.6° | 109.7° |
| O34 | C17 | H172 | 109.5° | 109.8° |
| C19 | C18 | C21 | 115.3° | 110.3° |
| C18 | C19 | N27 | 120.4° | 110.8° |
| C19 | C18 | H18 | 111.1° | 110.4° |
| C18 | C19 | H19 | 107.2° | 110.8° |
| C21 | C18 | H18 | 111.4° | 110.4° |
| C18 | C21 | H211 | 107.7° | 109.4° |
| C18 | C21 | H212 | 107.8° | 109.5° |
| C19 | N27 | H27 | 117.9° | 120.0° |
| N27 | C19 | H19 | 108.4° | 110.9° |
| C24 | C20 | O35 | 104.8° | 109.6° |
| C20 | C24 | C23 | 109.8° | 109.5° |
| C24 | C20 | H20 | 109.1° | 109.7° |
| C20 | C24 | H241 | 109.4° | 109.5° |
| C20 | C24 | H242 | 109.4° | 109.4° |
| O35 | C20 | H20 | 110.1° | 109.8° |
| C22 | C25 | C26 | 110.8° | 109.5° |
| C25 | C22 | H221 | 109.1° | 109.5° |
| C25 | C22 | H222 | 109.1° | 109.5° |
| C22 | C25 | H251 | 109.1° | 109.5° |
| C22 | C25 | H252 | 109.1° | 109.4° |
| C24 | C23 | H231 | 111.8° | 109.5° |
| C24 | C23 | H232 | 111.8° | 109.5° |
| C23 | C24 | H241 | 109.4° | 109.5° |
| C23 | C24 | H242 | 109.4° | 109.5° |
| C25 | C26 | N28 | 110.1° | 109.5° |
| C26 | C25 | H251 | 109.1° | 109.5° |
| C26 | C25 | H252 | 109.1° | 109.5° |
| C25 | C26 | H261 | 109.3° | 109.5° |
| C25 | C26 | H262 | 109.3° | 109.5° |
| N28 | C26 | H261 | 109.3° | 109.4° |
| N28 | C26 | H262 | 109.3° | 109.5° |
| C26 | N28 | H281 | 109.5° | 111.0° |
| C26 | N28 | H282 | 109.4° | 111.0° |
| H161 | C16 | H162 | 109.5° | 110.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.8° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H281 | N28 | H282 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.6° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C8 | 0.2° | 0.1° |
| C1 | C2 | C4 | C9 | 0.0° | 0.1° |
| C2 | C1 | C3 | H3 | 179.8° | 180.0° |
| C1 | C2 | C4 | H4 | 180.0° | 180.0° |
| C3 | C1 | C2 | C4 | 0.0° | 0.1° |
| C1 | C3 | C8 | H3 | 180.0° | 179.9° |
| C1 | C3 | C8 | C9 | 0.4° | 0.1° |
| C1 | C3 | C8 | C16 | 180.0° | 180.0° |
| C3 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C4 | C9 | H4 | 180.0° | 180.0° |
| C2 | C4 | C9 | C8 | 0.2° | 0.0° |
| C2 | C4 | C9 | C18 | 179.5° | 180.0° |
| C4 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C8 | C9 | C4 | 0.4° | 0.0° |
| C3 | C8 | C9 | C16 | 179.6° | 180.0° |
| C3 | C8 | C9 | C18 | 179.8° | 180.0° |
| C3 | C8 | C16 | C19 | 165.3° | 162.9° |
| C8 | C3 | C1 | H1 | 179.8° | 179.7° |
| C3 | C8 | C16 | H161 | 75.9° | 78.2° |
| C3 | C8 | C16 | H162 | 46.5° | 44.0° |
| C4 | C9 | C8 | C18 | 179.4° | 180.0° |
| C4 | C9 | C8 | C16 | 179.9° | 180.0° |
| C4 | C9 | C18 | C19 | 165.8° | 162.8° |
| C4 | C9 | C18 | C21 | 73.8° | 78.3° |
| C9 | C4 | C2 | H2 | 180.0° | 179.9° |
| C4 | C9 | C18 | H18 | 47.3° | 43.9° |
| C6 | C5 | C10 | H5 | 180.0° | 179.6° |
| C5 | C6 | C11 | H6 | 180.0° | 179.9° |
| C6 | C5 | C10 | C7 | 0.1° | 0.1° |
| C6 | C5 | C10 | C21 | 179.9° | 179.9° |
| C5 | C6 | C11 | C12 | 0.5° | 0.1° |
| C5 | C6 | C11 | O35 | 179.7° | 179.7° |
| C10 | C5 | C6 | C11 | 0.3° | 0.1° |
| C5 | C10 | C7 | C21 | 179.8° | 180.0° |
| C5 | C10 | C7 | C12 | 0.1° | 0.0° |
| C5 | C10 | C7 | C13 | 180.0° | 179.9° |
| C5 | C10 | C21 | C18 | 5.6° | 98.2° |
| C10 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C10 | C21 | H211 | 126.6° | 141.8° |
| C5 | C10 | C21 | H212 | 115.4° | 21.9° |
| C6 | C11 | C12 | C7 | 0.6° | 0.2° |
| C6 | C11 | C12 | O35 | 179.1° | 179.7° |
| C6 | C11 | C12 | O34 | 179.5° | 179.7° |
| C6 | C11 | O35 | C20 | 165.6° | 162.9° |
| C11 | C6 | C5 | H5 | 179.7° | 179.7° |
| C10 | C7 | C12 | C13 | 179.9° | 180.0° |
| C10 | C7 | C12 | C11 | 0.3° | 0.1° |
| C10 | C7 | C12 | O34 | 179.7° | 179.7° |
| C10 | C7 | C13 | O29 | 120.4° | 95.5° |
| C10 | C7 | C13 | O31 | 60.0° | 84.5° |
| C7 | C10 | C21 | C18 | 174.5° | 81.8° |
| C7 | C10 | C5 | H5 | 179.9° | 179.7° |
| C7 | C10 | C21 | H211 | 53.6° | 38.2° |
| C7 | C10 | C21 | H212 | 64.5° | 158.2° |
| C12 | C7 | C10 | C21 | 179.9° | 180.0° |
| C7 | C12 | C11 | O34 | 180.0° | 179.8° |
| C7 | C12 | C11 | O35 | 179.7° | 179.6° |
| C12 | C7 | C13 | O29 | 59.7° | 84.5° |
| C12 | C7 | C13 | O31 | 119.9° | 95.5° |
| C7 | C12 | O34 | C17 | 140.0° | 162.7° |
| C13 | C7 | C10 | C21 | 0.1° | 0.0° |
| C13 | C7 | C12 | C11 | 179.7° | 179.9° |
| C13 | C7 | C12 | O34 | 0.2° | 0.2° |
| C7 | C13 | O29 | O31 | 179.6° | 180.0° |
| C7 | C13 | O31 | H31 | 179.5° | 174.9° |
| C9 | C8 | C16 | C19 | 14.3° | 17.2° |
| C8 | C9 | C18 | C19 | 14.9° | 17.1° |
| C8 | C9 | C18 | C21 | 105.6° | 101.7° |
| C9 | C8 | C3 | H3 | 179.6° | 180.0° |
| C8 | C9 | C4 | H4 | 179.8° | 180.0° |
| C9 | C8 | C16 | H161 | 104.5° | 101.7° |
| C9 | C8 | C16 | H162 | 133.1° | 136.1° |
| C8 | C9 | C18 | H18 | 133.3° | 136.1° |
| C16 | C8 | C9 | C18 | 0.5° | 0.0° |
| C8 | C16 | C19 | H161 | 118.8° | 119.0° |
| C8 | C16 | C19 | H162 | 118.8° | 118.9° |
| C8 | C16 | C19 | C18 | 23.1° | 26.3° |
| C8 | C16 | C19 | N27 | 152.7° | 144.6° |
| C16 | C8 | C3 | H3 | 0.0° | 0.1° |
| C8 | C16 | H161 | H162 | 123.5° | 122.2° |
| C8 | C16 | C19 | H19 | 91.9° | 91.8° |
| C9 | C18 | C21 | C10 | 89.3° | 64.6° |
| C9 | C18 | C19 | C16 | 23.4° | 26.3° |
| C9 | C18 | C19 | C21 | 113.0° | 118.9° |
| C9 | C18 | C19 | H18 | 119.0° | 118.9° |
| C9 | C18 | C21 | H18 | 121.4° | 122.1° |
| C9 | C18 | C19 | N27 | 143.8° | 144.6° |
| C18 | C9 | C4 | H4 | 0.5° | 0.0° |
| C9 | C18 | C21 | H211 | 149.8° | 175.4° |
| C9 | C18 | C21 | H212 | 31.8° | 55.4° |
| C9 | C18 | C19 | H19 | 91.8° | 91.9° |
| C10 | C21 | C18 | C19 | 159.9° | 179.7° |
| C10 | C21 | C18 | H211 | 121.0° | 120.0° |
| C10 | C21 | C18 | H212 | 121.0° | 120.0° |
| C21 | C10 | C5 | H5 | 0.1° | 0.3° |
| C10 | C21 | C18 | H18 | 32.1° | 57.5° |
| C10 | C21 | H211 | H212 | 116.9° | 120.0° |
| C11 | C12 | O34 | C17 | 40.0° | 17.5° |
| C12 | C11 | O35 | C20 | 15.2° | 17.4° |
| C12 | C11 | C6 | H6 | 179.4° | 179.8° |
| O35 | C11 | C12 | O34 | 0.3° | 0.6° |
| C11 | O35 | C20 | C17 | 10.6° | 46.2° |
| C11 | O35 | C20 | C24 | 129.5° | 165.9° |
| O35 | C11 | C6 | H6 | 0.3° | 0.4° |
| C11 | O35 | C20 | H20 | 113.3° | 73.5° |
| C12 | O34 | C17 | C20 | 62.3° | 46.4° |
| C12 | O34 | C17 | H171 | 177.7° | 166.0° |
| C12 | O34 | C17 | H172 | 57.6° | 73.4° |
| O29 | C13 | O31 | H31 | 0.0° | 5.1° |
| C22 | C14 | N27 | O32 | 179.2° | 180.0° |
| C22 | C14 | N27 | C19 | 137.2° | 180.0° |
| C14 | C22 | C25 | H221 | 120.2° | 120.0° |
| C14 | C22 | C25 | H222 | 120.2° | 120.0° |
| C14 | C22 | C25 | C26 | 128.2° | 180.0° |
| C14 | C22 | H221 | H222 | 119.3° | 119.9° |
| C22 | C14 | N27 | H27 | 42.7° | 0.0° |
| C14 | C22 | C25 | H251 | 8.0° | 60.0° |
| C14 | C22 | C25 | H252 | 111.6° | 60.0° |
| C14 | N27 | C19 | C16 | 149.8° | 90.0° |
| C14 | N27 | C19 | C18 | 28.5° | 157.0° |
| C14 | N27 | C19 | H27 | 180.0° | 180.0° |
| N27 | C14 | C22 | C25 | 108.5° | 180.0° |
| N27 | C14 | C22 | H221 | 131.3° | 60.0° |
| N27 | C14 | C22 | H222 | 11.8° | 60.0° |
| C14 | N27 | C19 | H19 | 95.3° | 33.6° |
| O32 | C14 | N27 | C19 | 41.9° | 0.0° |
| O32 | C14 | C22 | C25 | 72.3° | 0.0° |
| O32 | C14 | C22 | H221 | 47.9° | 120.0° |
| O32 | C14 | C22 | H222 | 167.4° | 120.0° |
| O32 | C14 | N27 | H27 | 138.1° | 180.0° |
| C23 | C15 | O30 | O33 | 179.7° | 180.0° |
| C15 | C23 | C24 | C20 | 94.7° | 180.0° |
| C15 | C23 | C24 | H231 | 118.4° | 120.0° |
| C15 | C23 | C24 | H232 | 118.4° | 120.0° |
| C15 | C23 | H231 | H232 | 124.6° | 120.0° |
| C23 | C15 | O30 | H30 | 179.7° | 180.0° |
| C15 | C23 | C24 | H241 | 25.4° | 60.0° |
| C15 | C23 | C24 | H242 | 145.3° | 60.0° |
| O30 | C15 | C23 | C24 | 84.1° | 180.0° |
| O30 | C15 | C23 | H231 | 34.3° | 60.0° |
| O30 | C15 | C23 | H232 | 157.6° | 60.0° |
| O33 | C15 | C23 | C24 | 95.7° | 0.0° |
| O33 | C15 | C23 | H231 | 145.9° | 120.0° |
| O33 | C15 | C23 | H232 | 22.7° | 120.0° |
| O33 | C15 | O30 | H30 | 0.0° | 0.0° |
| C16 | C19 | C18 | N27 | 120.5° | 118.2° |
| C16 | C19 | C18 | H19 | 115.1° | 118.2° |
| C16 | C19 | C18 | C21 | 89.6° | 92.5° |
| C16 | C19 | N27 | H19 | 114.8° | 123.5° |
| C19 | C16 | H161 | H162 | 123.5° | 122.1° |
| C16 | C19 | C18 | H18 | 142.4° | 145.2° |
| C16 | C19 | N27 | H27 | 30.2° | 90.0° |
| C20 | C17 | O34 | H171 | 119.9° | 119.6° |
| C20 | C17 | O34 | H172 | 120.0° | 119.7° |
| C17 | C20 | C24 | O35 | 123.7° | 118.7° |
| C17 | C20 | C24 | H20 | 118.4° | 120.6° |
| C17 | C20 | O35 | H20 | 123.9° | 119.8° |
| C17 | C20 | C24 | C23 | 104.8° | 175.0° |
| C20 | C17 | H171 | H172 | 120.1° | 120.6° |
| C17 | C20 | C24 | H241 | 135.1° | 64.9° |
| C17 | C20 | C24 | H242 | 15.2° | 55.0° |
| O34 | C17 | C20 | C24 | 167.7° | 179.3° |
| O34 | C17 | C20 | O35 | 50.7° | 59.8° |
| O34 | C17 | H171 | H172 | 120.1° | 120.7° |
| O34 | C17 | C20 | H20 | 73.8° | 60.0° |
| C19 | C18 | C21 | H18 | 127.8° | 122.2° |
| C18 | C19 | N27 | H19 | 123.9° | 123.5° |
| C18 | C19 | C16 | H161 | 95.6° | 92.6° |
| C18 | C19 | C16 | H162 | 141.9° | 145.2° |
| C19 | C18 | C21 | H211 | 39.0° | 59.7° |
| C19 | C18 | C21 | H212 | 79.1° | 60.3° |
| C18 | C19 | N27 | H27 | 151.5° | 23.0° |
| C21 | C18 | C19 | N27 | 30.8° | 25.7° |
| C18 | C21 | H211 | H212 | 116.9° | 120.0° |
| C21 | C18 | C19 | H19 | 155.2° | 149.2° |
| N27 | C19 | C16 | H161 | 33.9° | 25.6° |
| N27 | C19 | C16 | H162 | 88.6° | 96.5° |
| N27 | C19 | C18 | H18 | 97.2° | 96.5° |
| C24 | C20 | O35 | H20 | 117.2° | 120.6° |
| C20 | C24 | C23 | H241 | 120.1° | 120.1° |
| C20 | C24 | C23 | H242 | 120.0° | 119.9° |
| C20 | C24 | C23 | H231 | 23.7° | 60.0° |
| C20 | C24 | C23 | H232 | 146.9° | 60.0° |
| C24 | C20 | C17 | H171 | 72.3° | 61.1° |
| C24 | C20 | C17 | H172 | 47.8° | 59.6° |
| C20 | C24 | H241 | H242 | 119.8° | 119.9° |
| O35 | C20 | C24 | C23 | 131.5° | 66.3° |
| O35 | C20 | C17 | H171 | 170.6° | 179.4° |
| O35 | C20 | C17 | H172 | 69.3° | 60.0° |
| O35 | C20 | C24 | H241 | 11.4° | 53.8° |
| O35 | C20 | C24 | H242 | 108.5° | 173.7° |
| C22 | C25 | C26 | H251 | 120.2° | 120.0° |
| C22 | C25 | C26 | H252 | 120.2° | 120.0° |
| C22 | C25 | C26 | N28 | 75.4° | 180.0° |
| C25 | C22 | H221 | H222 | 119.3° | 120.0° |
| C22 | C25 | H251 | H252 | 119.4° | 120.0° |
| C22 | C25 | C26 | H261 | 44.7° | 60.0° |
| C22 | C25 | C26 | H262 | 164.5° | 60.0° |
| C24 | C23 | H231 | H232 | 124.5° | 120.0° |
| C23 | C24 | C20 | H20 | 13.6° | 54.4° |
| C23 | C24 | H241 | H242 | 119.8° | 120.0° |
| C25 | C26 | N28 | H261 | 120.1° | 120.0° |
| C25 | C26 | N28 | H262 | 120.1° | 120.0° |
| C26 | C25 | C22 | H221 | 111.6° | 60.0° |
| C26 | C25 | C22 | H222 | 8.0° | 60.0° |
| C26 | C25 | H251 | H252 | 119.4° | 120.0° |
| C25 | C26 | H261 | H262 | 119.7° | 120.0° |
| C25 | C26 | N28 | H281 | 180.0° | 180.0° |
| C25 | C26 | N28 | H282 | 60.0° | 56.0° |
| N28 | C26 | C25 | H251 | 164.4° | 60.0° |
| N28 | C26 | C25 | H252 | 44.8° | 60.0° |
| N28 | C26 | H261 | H262 | 119.7° | 120.0° |
| C26 | N28 | H281 | H282 | 120.0° | 124.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.4° |
| H1 | C1 | C3 | H3 | 0.2° | 0.4° |
| H2 | C2 | C4 | H4 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.3° | 0.4° |
| H161 | C16 | C19 | H19 | 149.4° | 149.2° |
| H162 | C16 | C19 | H19 | 26.9° | 27.0° |
| H18 | C18 | C21 | H211 | 88.8° | 62.5° |
| H18 | C18 | C21 | H212 | 153.1° | 177.5° |
| H18 | C18 | C19 | H19 | 27.2° | 27.0° |
| H221 | C22 | C25 | H251 | 128.2° | NaN° |
| H221 | C22 | C25 | H252 | 8.6° | 60.0° |
| H222 | C22 | C25 | H251 | 112.2° | 60.0° |
| H222 | C22 | C25 | H252 | 128.2° | 180.0° |
| H27 | N27 | C19 | H19 | 84.7° | 146.5° |
| H231 | C23 | C24 | H241 | 143.8° | 60.0° |
| H231 | C23 | C24 | H242 | 96.3° | 180.0° |
| H232 | C23 | C24 | H241 | 93.1° | 180.0° |
| H232 | C23 | C24 | H242 | 26.9° | 60.0° |
| H171 | C17 | C20 | H20 | 46.2° | 59.6° |
| H172 | C17 | C20 | H20 | 166.3° | 179.8° |
| H20 | C20 | C24 | H241 | 106.4° | 174.5° |
| H20 | C20 | C24 | H242 | 133.7° | 65.6° |
| H251 | C25 | C26 | H261 | 75.5° | 180.0° |
| H251 | C25 | C26 | H262 | 44.3° | 60.0° |
| H252 | C25 | C26 | H261 | 164.9° | 60.0° |
| H252 | C25 | C26 | H262 | 75.3° | 180.0° |
| H261 | C26 | N28 | H281 | 59.9° | 60.0° |
| H261 | C26 | N28 | H282 | 179.9° | 176.0° |
| H262 | C26 | N28 | H281 | 59.9° | 59.9° |
| H262 | C26 | N28 | H282 | 60.1° | 64.0° |
