A1JG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | doub | 1.34Å | 1.34Å | |
| C5 | O6 | sing | 1.35Å | 1.40Å | |
| O6 | C7 | sing | 1.34Å | 1.37Å | |
| C7 | O8 | doub | 1.21Å | 1.20Å | |
| C7 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | O12 | sing | 1.43Å | 1.42Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.34Å | Aromatic |
| N19 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N21 | sing | 1.49Å | 1.46Å | |
| N21 | C22 | sing | 1.38Å | 1.34Å | |
| C22 | O23 | doub | 1.21Å | 1.23Å | |
| C22 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | N25 | sing | 1.46Å | 1.45Å | |
| N25 | C26 | sing | 1.35Å | 1.33Å | |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| C26 | C28 | sing | 1.48Å | 1.49Å | |
| C28 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | F33 | sing | 1.35Å | 1.35Å | |
| C32 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | O35 | sing | 1.36Å | 1.37Å | |
| C24 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | O38 | sing | 1.45Å | 1.46Å | |
| O38 | C39 | sing | 1.34Å | 1.35Å | |
| C39 | O40 | doub | 1.22Å | 1.21Å | |
| C39 | C5 | sing | 1.48Å | 1.47Å | |
| C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | H4C | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.4° | 109.5° |
| C1 | C2 | H2A | 109.1° | 109.5° |
| C1 | C2 | H2B | 109.1° | 109.4° |
| C2 | C3 | C4 | 115.1° | 120.0° |
| C2 | C3 | C5 | 120.9° | 120.0° |
| C3 | C2 | H2A | 109.1° | 109.5° |
| C3 | C2 | H2B | 109.1° | 109.5° |
| C4 | C3 | C5 | 123.9° | 120.0° |
| C3 | C4 | H4C | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.4° |
| C3 | C4 | H4A | 109.5° | 109.4° |
| C3 | C5 | O6 | 121.5° | 120.0° |
| C3 | C5 | C39 | 126.1° | 118.7° |
| C5 | O6 | C7 | 123.4° | 120.5° |
| O6 | C5 | C39 | 112.2° | 121.3° |
| O6 | C7 | O8 | 122.6° | 120.1° |
| O6 | C7 | C9 | 111.1° | 119.5° |
| O8 | C7 | C9 | 126.2° | 120.4° |
| C7 | C9 | C10 | 108.5° | 109.2° |
| C7 | C9 | C11 | 112.5° | 111.1° |
| C7 | C9 | H9 | 108.2° | 108.9° |
| C10 | C9 | C11 | 111.5° | 109.5° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.4° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C10 | C9 | H9 | 108.1° | 108.8° |
| C9 | C11 | O12 | 109.9° | 110.7° |
| C9 | C11 | C13 | 114.3° | 110.3° |
| C11 | C9 | H9 | 108.0° | 109.3° |
| C9 | C11 | H11 | 105.8° | 108.5° |
| O12 | C11 | C13 | 113.2° | 110.4° |
| O12 | C11 | H11 | 107.1° | 108.4° |
| C11 | O12 | H12 | 109.5° | 114.0° |
| C11 | C13 | C14 | 110.5° | 109.5° |
| C11 | C13 | N21 | 111.6° | 109.0° |
| C11 | C13 | H13 | 108.0° | 109.5° |
| C13 | C11 | H11 | 106.0° | 108.4° |
| C13 | C14 | C15 | 114.7° | 109.5° |
| C14 | C13 | N21 | 110.2° | 109.5° |
| C14 | C13 | H13 | 107.7° | 109.3° |
| C13 | C14 | H14A | 108.1° | 109.5° |
| C13 | C14 | H14B | 108.2° | 109.4° |
| C14 | C15 | C16 | 121.8° | 120.4° |
| C14 | C15 | C20 | 121.1° | 120.4° |
| C15 | C14 | H14A | 108.1° | 109.5° |
| C15 | C14 | H14B | 108.1° | 109.5° |
| C15 | C16 | C17 | 120.2° | 118.5° |
| C16 | C15 | C20 | 117.1° | 119.1° |
| C15 | C16 | H16 | 119.9° | 120.8° |
| C16 | C17 | C18 | 118.2° | 119.1° |
| C16 | C17 | H17 | 120.9° | 120.5° |
| C17 | C16 | H16 | 119.9° | 120.8° |
| C17 | C18 | N19 | 123.1° | 120.7° |
| C18 | C17 | H17 | 120.9° | 120.4° |
| C17 | C18 | H18 | 118.5° | 119.6° |
| C18 | N19 | C20 | 117.5° | 121.8° |
| N19 | C18 | H18 | 118.5° | 119.7° |
| N19 | C20 | C15 | 124.0° | 120.8° |
| N19 | C20 | H20 | 118.0° | 119.6° |
| C13 | N21 | C22 | 123.0° | 113.8° |
| N21 | C13 | H13 | 108.8° | 110.1° |
| C13 | N21 | H21 | 118.5° | 123.5° |
| N21 | C22 | O23 | 123.3° | 121.3° |
| N21 | C22 | C24 | 116.1° | 118.0° |
| C22 | N21 | H21 | 118.5° | 122.8° |
| O23 | C22 | C24 | 120.3° | 120.7° |
| C22 | C24 | N25 | 103.8° | 109.5° |
| C22 | C24 | C36 | 112.2° | 109.1° |
| C22 | C24 | H24 | 109.1° | 109.5° |
| C24 | N25 | C26 | 121.5° | 120.1° |
| N25 | C24 | C36 | 112.5° | 109.6° |
| N25 | C24 | H24 | 110.1° | 109.6° |
| C24 | N25 | H25 | 119.3° | 120.0° |
| N25 | C26 | O27 | 122.5° | 119.9° |
| N25 | C26 | C28 | 116.0° | 120.0° |
| C26 | N25 | H25 | 119.3° | 120.0° |
| O27 | C26 | C28 | 121.4° | 120.0° |
| C26 | C28 | C29 | 116.7° | 120.2° |
| C26 | C28 | C34 | 123.5° | 120.2° |
| C28 | C29 | C30 | 120.4° | 120.0° |
| C29 | C28 | C34 | 119.3° | 119.7° |
| C28 | C29 | H29 | 119.8° | 120.0° |
| C29 | C30 | C31 | 120.8° | 120.3° |
| C30 | C29 | H29 | 119.8° | 120.0° |
| C29 | C30 | H30 | 119.6° | 119.8° |
| C30 | C31 | C32 | 118.5° | 120.4° |
| C31 | C30 | H30 | 119.6° | 119.9° |
| C30 | C31 | H31 | 120.7° | 119.8° |
| C31 | C32 | F33 | 119.1° | 120.0° |
| C31 | C32 | C34 | 123.1° | 120.1° |
| C32 | C31 | H31 | 120.7° | 119.8° |
| F33 | C32 | C34 | 117.6° | 119.9° |
| C32 | C34 | O35 | 120.0° | 120.2° |
| C32 | C34 | C28 | 118.0° | 119.6° |
| O35 | C34 | C28 | 122.1° | 120.1° |
| C34 | O35 | H35 | 109.5° | 114.0° |
| C24 | C36 | C37 | 115.0° | 109.3° |
| C24 | C36 | O38 | 104.9° | 109.0° |
| C36 | C24 | H24 | 109.0° | 109.5° |
| C24 | C36 | H36 | 109.4° | 109.4° |
| C37 | C36 | O38 | 107.3° | 109.8° |
| C37 | C36 | H36 | 109.7° | 109.5° |
| C36 | C37 | H37B | 109.5° | 109.5° |
| C36 | C37 | H37A | 109.5° | 109.5° |
| C36 | C37 | H37C | 109.5° | 109.4° |
| C36 | O38 | C39 | 117.2° | 118.6° |
| O38 | C36 | H36 | 110.4° | 109.8° |
| O38 | C39 | O40 | 123.8° | 120.4° |
| O38 | C39 | C5 | 110.3° | 120.2° |
| O40 | C39 | C5 | 125.9° | 119.4° |
| C15 | C20 | H20 | 118.0° | 119.6° |
| H4C | C4 | H4B | 109.5° | 109.5° |
| H4C | C4 | H4A | 109.4° | 109.5° |
| H4B | C4 | H4A | 109.5° | 109.4° |
| H10C | C10 | H10B | 109.4° | 109.5° |
| H10C | C10 | H10A | 109.5° | 109.5° |
| H10B | C10 | H10A | 109.5° | 109.4° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.5° | 109.4° |
| H1A | C1 | H1C | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| H37B | C37 | H37A | 109.5° | 109.5° |
| H37B | C37 | H37C | 109.5° | 109.4° |
| H37A | C37 | H37C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2A | 120.2° | 120.1° |
| C1 | C2 | C3 | H2B | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 98.0° | 85.0° |
| C1 | C2 | C3 | C5 | 84.9° | 95.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.1° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 119.3° | 119.9° |
| C2 | C3 | C4 | C5 | 177.0° | 180.0° |
| C2 | C3 | C5 | O6 | 0.1° | 5.6° |
| C2 | C3 | C5 | C39 | 174.2° | 177.0° |
| C2 | C3 | C4 | H4C | 180.0° | 5.4° |
| C2 | C3 | C4 | H4B | 60.0° | 114.7° |
| C2 | C3 | C4 | H4A | 60.0° | 125.5° |
| C3 | C2 | C1 | H1B | 180.0° | 60.1° |
| C3 | C2 | C1 | H1A | 60.0° | 60.0° |
| C3 | C2 | C1 | H1C | 60.0° | 180.0° |
| C3 | C2 | H2A | H2B | 119.3° | 120.0° |
| C4 | C3 | C5 | O6 | 177.0° | 174.4° |
| C4 | C3 | C5 | C39 | 2.7° | 3.0° |
| C3 | C4 | H4C | H4B | 120.0° | 120.0° |
| C3 | C4 | H4C | H4A | 120.0° | 120.0° |
| C3 | C4 | H4B | H4A | 120.0° | 119.9° |
| C4 | C3 | C2 | H2A | 22.2° | 155.0° |
| C4 | C3 | C2 | H2B | 141.8° | 35.0° |
| C3 | C5 | O6 | C39 | 175.0° | 177.3° |
| C3 | C5 | O6 | C7 | 99.8° | 153.0° |
| C3 | C5 | C39 | O38 | 171.9° | 164.0° |
| C3 | C5 | C39 | O40 | 11.1° | 16.8° |
| C5 | C3 | C4 | H4C | 2.9° | 174.6° |
| C5 | C3 | C4 | H4B | 123.0° | 65.4° |
| C5 | C3 | C4 | H4A | 117.0° | 54.5° |
| C5 | C3 | C2 | H2A | 154.9° | 25.0° |
| C5 | C3 | C2 | H2B | 35.4° | 145.0° |
| C5 | O6 | C7 | O8 | 0.1° | 16.1° |
| C5 | O6 | C7 | C9 | 177.9° | 163.9° |
| O6 | C5 | C39 | O38 | 13.4° | 13.4° |
| O6 | C5 | C39 | O40 | 163.6° | 165.9° |
| O6 | C7 | O8 | C9 | 177.6° | 180.0° |
| O6 | C7 | C9 | C10 | 85.2° | 59.6° |
| O6 | C7 | C9 | C11 | 151.0° | 179.6° |
| C7 | O6 | C5 | C39 | 75.2° | 29.7° |
| O6 | C7 | C9 | H9 | 31.8° | 59.1° |
| O8 | C7 | C9 | C10 | 92.6° | 120.4° |
| O8 | C7 | C9 | C11 | 31.2° | 0.4° |
| O8 | C7 | C9 | H9 | 150.4° | 120.9° |
| C7 | C9 | C10 | C11 | 124.4° | 121.8° |
| C7 | C9 | C10 | H9 | 117.1° | 118.8° |
| C7 | C9 | C11 | H9 | 119.3° | 120.2° |
| C7 | C9 | C11 | O12 | 51.9° | 45.1° |
| C7 | C9 | C11 | C13 | 76.6° | 77.4° |
| C7 | C9 | C10 | H10C | 180.0° | 60.0° |
| C7 | C9 | C10 | H10B | 60.0° | 179.9° |
| C7 | C9 | C10 | H10A | 60.0° | 60.0° |
| C7 | C9 | C11 | H11 | 167.2° | 164.0° |
| C10 | C9 | C11 | H9 | 118.5° | 119.1° |
| C10 | C9 | C11 | O12 | 70.3° | 75.5° |
| C10 | C9 | C11 | C13 | 161.2° | 162.0° |
| C9 | C10 | H10C | H10B | 120.0° | 120.0° |
| C9 | C10 | H10C | H10A | 120.0° | 120.0° |
| C9 | C10 | H10B | H10A | 120.0° | 120.0° |
| C10 | C9 | C11 | H11 | 45.0° | 43.3° |
| C9 | C11 | O12 | C13 | 129.1° | 122.4° |
| C9 | C11 | O12 | H11 | 114.5° | 119.0° |
| C9 | C11 | C13 | H11 | 116.1° | 118.7° |
| C9 | C11 | C13 | C14 | 174.7° | 156.6° |
| C9 | C11 | C13 | N21 | 62.3° | 83.6° |
| C11 | C9 | C10 | H10C | 55.5° | 178.2° |
| C11 | C9 | C10 | H10B | 64.5° | 58.1° |
| C11 | C9 | C10 | H10A | 175.5° | 61.8° |
| C9 | C11 | C13 | H13 | 57.1° | 36.9° |
| C9 | C11 | O12 | H12 | 35.8° | 60.0° |
| O12 | C11 | C13 | H11 | 117.1° | 118.6° |
| O12 | C11 | C13 | C14 | 58.5° | 80.7° |
| O12 | C11 | C13 | N21 | 64.5° | 39.1° |
| O12 | C11 | C13 | H13 | 176.1° | 159.6° |
| O12 | C11 | C9 | H9 | 171.2° | 165.4° |
| C11 | C13 | C14 | N21 | 123.8° | 119.5° |
| C11 | C13 | C14 | H13 | 117.7° | 119.9° |
| C11 | C13 | C14 | C15 | 167.4° | 175.5° |
| C11 | C13 | N21 | H13 | 119.0° | 120.1° |
| C11 | C13 | N21 | C22 | 126.0° | 132.5° |
| C13 | C11 | C9 | H9 | 42.7° | 42.9° |
| C13 | C11 | O12 | H12 | 93.3° | 177.6° |
| C11 | C13 | C14 | H14A | 46.6° | 64.4° |
| C11 | C13 | C14 | H14B | 71.8° | 55.5° |
| C11 | C13 | N21 | H21 | 54.1° | 48.0° |
| C13 | C14 | C15 | H14A | 120.8° | 120.0° |
| C13 | C14 | C15 | H14B | 120.8° | 120.0° |
| C13 | C14 | C15 | C16 | 92.1° | 90.0° |
| C14 | C13 | N21 | H13 | 117.8° | 120.1° |
| C14 | C13 | N21 | C22 | 110.8° | 107.8° |
| C13 | C14 | C15 | C20 | 86.1° | 90.2° |
| C14 | C13 | C11 | H11 | 58.6° | 37.9° |
| C13 | C14 | H14A | H14B | 117.6° | 119.9° |
| C14 | C13 | N21 | H21 | 69.1° | 71.7° |
| C14 | C15 | C16 | C20 | 178.2° | 179.7° |
| C14 | C15 | C16 | C17 | 177.5° | 179.8° |
| C14 | C15 | C20 | N19 | 177.8° | 179.7° |
| C15 | C14 | C13 | N21 | 43.5° | 65.0° |
| C15 | C14 | C13 | H13 | 74.9° | 55.6° |
| C14 | C15 | C20 | H20 | 2.2° | 0.2° |
| C15 | C14 | H14A | H14B | 117.6° | 120.0° |
| C14 | C15 | C16 | H16 | 2.5° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C15 | C20 | N19 | 0.4° | 0.0° |
| C15 | C16 | C17 | H17 | 179.4° | 180.0° |
| C16 | C15 | C20 | H20 | 179.6° | 180.0° |
| C16 | C15 | C14 | H14A | 28.7° | 30.0° |
| C16 | C15 | C14 | H14B | 147.1° | 150.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.2° | 0.0° |
| C17 | C16 | C15 | C20 | 0.7° | 0.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C18 | N19 | H18 | 180.0° | 180.0° |
| C17 | C18 | N19 | C20 | 0.0° | 0.1° |
| C18 | C17 | C16 | H16 | 179.4° | 179.9° |
| C18 | N19 | C20 | C15 | 0.1° | 0.1° |
| N19 | C18 | C17 | H17 | 179.7° | 180.0° |
| C18 | N19 | C20 | H20 | 179.9° | 180.0° |
| N19 | C20 | C15 | H20 | 180.0° | 179.9° |
| C20 | N19 | C18 | H18 | 179.9° | 180.0° |
| C13 | N21 | C22 | H21 | 180.0° | 179.5° |
| C13 | N21 | C22 | O23 | 3.2° | 0.7° |
| C13 | N21 | C22 | C24 | 176.3° | 179.4° |
| N21 | C13 | C11 | H11 | 178.4° | 157.7° |
| N21 | C13 | C14 | H14A | 77.2° | 55.1° |
| N21 | C13 | C14 | H14B | 164.3° | 175.0° |
| N21 | C22 | O23 | C24 | 172.8° | 179.9° |
| N21 | C22 | C24 | N25 | 121.3° | 136.3° |
| N21 | C22 | C24 | C36 | 117.0° | 103.8° |
| C22 | N21 | C13 | H13 | 7.0° | 12.4° |
| N21 | C22 | C24 | H24 | 3.9° | 16.1° |
| O23 | C22 | C24 | N25 | 51.9° | 43.6° |
| O23 | C22 | C24 | C36 | 69.8° | 76.3° |
| O23 | C22 | C24 | H24 | 169.3° | 163.8° |
| O23 | C22 | N21 | H21 | 176.8° | 178.8° |
| C22 | C24 | N25 | C36 | 121.5° | 119.7° |
| C22 | C24 | N25 | H24 | 116.7° | 120.1° |
| C22 | C24 | N25 | C26 | 129.0° | 85.0° |
| C22 | C24 | C36 | H24 | 121.0° | 119.8° |
| C22 | C24 | C36 | C37 | 81.2° | 99.6° |
| C22 | C24 | C36 | O38 | 36.3° | 20.3° |
| C24 | C22 | N21 | H21 | 3.7° | 1.1° |
| C22 | C24 | N25 | H25 | 51.0° | 95.0° |
| C22 | C24 | C36 | H36 | 154.8° | 140.4° |
| C24 | N25 | C26 | H25 | 180.0° | 180.0° |
| C24 | N25 | C26 | O27 | 11.9° | 0.0° |
| C24 | N25 | C26 | C28 | 165.9° | 180.0° |
| N25 | C24 | C36 | H24 | 122.5° | 120.3° |
| N25 | C24 | C36 | C37 | 35.3° | 20.3° |
| N25 | C24 | C36 | O38 | 152.9° | 140.2° |
| N25 | C24 | C36 | H36 | 88.7° | 99.7° |
| N25 | C26 | O27 | C28 | 177.7° | 180.0° |
| N25 | C26 | C28 | C29 | 168.5° | 0.0° |
| C26 | N25 | C24 | C36 | 109.5° | 155.3° |
| N25 | C26 | C28 | C34 | 2.6° | 179.7° |
| C26 | N25 | C24 | H24 | 12.4° | 35.1° |
| O27 | C26 | C28 | C29 | 9.4° | 180.0° |
| O27 | C26 | C28 | C34 | 179.6° | 0.3° |
| O27 | C26 | N25 | H25 | 168.1° | 180.0° |
| C26 | C28 | C29 | C34 | 171.4° | 179.7° |
| C26 | C28 | C29 | C30 | 171.3° | 180.0° |
| C26 | C28 | C34 | C32 | 171.1° | 179.7° |
| C26 | C28 | C34 | O35 | 7.3° | 0.3° |
| C28 | C26 | N25 | H25 | 14.1° | 0.0° |
| C26 | C28 | C29 | H29 | 8.7° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C29 | C28 | C34 | C32 | 0.3° | 0.5° |
| C29 | C28 | C34 | O35 | 178.2° | 180.0° |
| C28 | C29 | C30 | H30 | 179.8° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | C28 | C34 | 0.1° | 0.2° |
| C29 | C30 | C31 | H31 | 179.7° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | F33 | 176.2° | 180.0° |
| C30 | C31 | C32 | C34 | 0.8° | 0.3° |
| C31 | C30 | C29 | H29 | 179.8° | 180.0° |
| C31 | C32 | F33 | C34 | 177.1° | 179.7° |
| C31 | C32 | C34 | O35 | 177.7° | 180.0° |
| C31 | C32 | C34 | C28 | 0.8° | 0.6° |
| C32 | C31 | C30 | H30 | 179.7° | 179.9° |
| F33 | C32 | C34 | O35 | 5.3° | 0.2° |
| F33 | C32 | C34 | C28 | 176.2° | 179.7° |
| F33 | C32 | C31 | H31 | 3.9° | 0.0° |
| C32 | C34 | O35 | C28 | 178.5° | 179.5° |
| C34 | C32 | C31 | H31 | 179.2° | 179.7° |
| C32 | C34 | O35 | H35 | 180.0° | 90.0° |
| C24 | C36 | C37 | O38 | 116.2° | 119.5° |
| C24 | C36 | C37 | H36 | 123.8° | 119.8° |
| C24 | C36 | O38 | H36 | 117.7° | 119.8° |
| C24 | C36 | O38 | C39 | 132.5° | 153.2° |
| C36 | C24 | N25 | H25 | 70.5° | 24.7° |
| C24 | C36 | C37 | H37B | 180.0° | 59.9° |
| C24 | C36 | C37 | H37A | 60.0° | 180.0° |
| C24 | C36 | C37 | H37C | 60.0° | 60.0° |
| C37 | C36 | O38 | H36 | 119.5° | 120.5° |
| C37 | C36 | O38 | C39 | 104.8° | 87.1° |
| C37 | C36 | C24 | H24 | 157.8° | 140.5° |
| C36 | C37 | H37B | H37A | 120.0° | 120.1° |
| C36 | C37 | H37B | H37C | 120.0° | 119.9° |
| C36 | C37 | H37A | H37C | 120.0° | 119.9° |
| C36 | O38 | C39 | O40 | 1.5° | 3.0° |
| C36 | O38 | C39 | C5 | 175.6° | 176.3° |
| O38 | C36 | C24 | H24 | 84.6° | 99.5° |
| O38 | C36 | C37 | H37B | 63.8° | 59.6° |
| O38 | C36 | C37 | H37A | 176.2° | 60.5° |
| O38 | C36 | C37 | H37C | 56.2° | 179.5° |
| O38 | C39 | O40 | C5 | 176.6° | 179.3° |
| C39 | O38 | C36 | H36 | 14.8° | 33.4° |
| C20 | C15 | C14 | H14A | 153.1° | 149.7° |
| C20 | C15 | C14 | H14B | 34.7° | 29.7° |
| C20 | C15 | C16 | H16 | 179.3° | 180.0° |
| C34 | C28 | C29 | H29 | 179.9° | 179.8° |
| C28 | C34 | O35 | H35 | 1.6° | 90.6° |
| H4C | C4 | H4B | H4A | 120.0° | 120.0° |
| H10C | C10 | H10B | H10A | 120.0° | 120.0° |
| H10C | C10 | C9 | H9 | 62.9° | 58.8° |
| H10B | C10 | C9 | H9 | 177.1° | 61.3° |
| H10A | C10 | C9 | H9 | 57.1° | 178.8° |
| H13 | C13 | C11 | H11 | 59.0° | 81.8° |
| H13 | C13 | C14 | H14A | 164.3° | 175.7° |
| H13 | C13 | C14 | H14B | 45.9° | 64.4° |
| H13 | C13 | N21 | H21 | 173.1° | 168.1° |
| H17 | C17 | C16 | H16 | 0.6° | 0.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| H24 | C24 | N25 | H25 | 167.7° | 144.9° |
| H24 | C24 | C36 | H36 | 33.8° | 20.6° |
| H1B | C1 | H1A | H1C | 120.0° | 119.9° |
| H1B | C1 | C2 | H2A | 59.8° | 60.0° |
| H1B | C1 | C2 | H2B | 59.8° | 179.9° |
| H1A | C1 | C2 | H2A | 60.2° | 180.0° |
| H1A | C1 | C2 | H2B | 179.8° | 60.0° |
| H1C | C1 | C2 | H2A | 179.8° | 59.9° |
| H1C | C1 | C2 | H2B | 60.3° | 60.0° |
| H9 | C9 | C11 | H11 | 73.5° | 75.8° |
| H11 | C11 | O12 | H12 | 150.3° | 59.0° |
| H29 | C29 | C30 | H30 | 0.2° | 0.0° |
| H30 | C30 | C31 | H31 | 0.3° | 0.0° |
| H36 | C36 | C37 | H37B | 56.2° | 179.8° |
| H36 | C36 | C37 | H37A | 63.8° | 60.1° |
| H36 | C36 | C37 | H37C | 176.2° | 59.8° |
| H37B | C37 | H37A | H37C | 120.0° | 120.0° |
