A1JGY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.47Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | doub | 1.34Å | 1.35Å | |
| C5 | O6 | sing | 1.35Å | 1.40Å | |
| O6 | C7 | sing | 1.34Å | 1.38Å | |
| 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 | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | 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 | 1.37Å | 1.33Å | |
| C22 | O23 | doub | 1.21Å | 1.23Å | |
| C22 | C24 | sing | 1.51Å | 1.52Å | |
| C24 | N25 | sing | 1.47Å | 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 | 1.38Å | Aromatic |
| C29 | O30 | sing | 1.36Å | 1.37Å | |
| C29 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | CL32 | sing | 1.74Å | 1.73Å | |
| C31 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | N35 | doub | 1.31Å | 1.34Å | Aromatic |
| 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 | 1.34Å | |
| C39 | O40 | doub | 1.22Å | 1.21Å | |
| C39 | C5 | sing | 1.48Å | 1.48Å | |
| C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N35 | C28 | sing | 1.33Å | 1.35Å | 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 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | 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 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | 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 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | 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 | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| 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 | 112.8° | 109.4° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C1 | C2 | H2B | 108.7° | 109.5° |
| C1 | C2 | H2A | 108.6° | 109.5° |
| C2 | C3 | C4 | 114.6° | 120.0° |
| C2 | C3 | C5 | 122.4° | 120.0° |
| C3 | C2 | H2B | 108.6° | 109.5° |
| C3 | C2 | H2A | 108.7° | 109.4° |
| C4 | C3 | C5 | 123.1° | 120.0° |
| C3 | C4 | H4C | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.5° |
| C3 | C5 | O6 | 121.9° | 120.0° |
| C3 | C5 | C39 | 125.1° | 118.7° |
| C5 | O6 | C7 | 126.2° | 120.5° |
| O6 | C5 | C39 | 113.0° | 121.2° |
| O6 | C7 | O8 | 122.7° | 120.1° |
| O6 | C7 | C9 | 111.0° | 119.5° |
| O8 | C7 | C9 | 126.2° | 120.4° |
| C7 | C9 | C10 | 108.5° | 109.2° |
| C7 | C9 | C11 | 112.7° | 111.1° |
| C7 | C9 | H9 | 108.0° | 109.0° |
| C10 | C9 | C11 | 111.9° | 109.4° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C10 | C9 | H9 | 107.9° | 108.9° |
| C9 | C11 | O12 | 110.1° | 110.7° |
| C9 | C11 | C13 | 114.6° | 110.3° |
| C11 | C9 | H9 | 107.7° | 109.3° |
| C9 | C11 | H11 | 106.3° | 108.6° |
| O12 | C11 | C13 | 111.6° | 110.4° |
| O12 | C11 | H11 | 107.6° | 108.4° |
| C11 | O12 | H12 | 109.5° | 114.1° |
| C11 | C13 | C14 | 110.9° | 109.4° |
| C11 | C13 | N21 | 108.3° | 109.0° |
| C11 | C13 | H13 | 108.9° | 109.5° |
| C13 | C11 | H11 | 106.3° | 108.4° |
| C13 | C14 | C15 | 114.8° | 109.4° |
| C14 | C13 | N21 | 109.9° | 109.5° |
| C14 | C13 | H13 | 108.9° | 109.3° |
| C13 | C14 | H14B | 108.1° | 109.5° |
| C13 | C14 | H14A | 108.1° | 109.5° |
| C14 | C15 | C16 | 121.9° | 120.5° |
| C14 | C15 | C20 | 121.0° | 120.4° |
| C15 | C14 | H14B | 108.1° | 109.4° |
| C15 | C14 | H14A | 108.1° | 109.5° |
| C15 | C16 | C17 | 120.2° | 118.5° |
| C16 | C15 | C20 | 117.1° | 119.1° |
| C15 | C16 | H16 | 119.9° | 120.7° |
| C16 | C17 | C18 | 118.1° | 119.1° |
| C16 | C17 | H17 | 120.9° | 120.4° |
| C17 | C16 | H16 | 119.9° | 120.8° |
| C17 | C18 | N19 | 123.3° | 120.8° |
| C18 | C17 | H17 | 121.0° | 120.5° |
| C17 | C18 | H18 | 118.4° | 119.6° |
| C18 | N19 | C20 | 117.3° | 121.7° |
| N19 | C18 | H18 | 118.4° | 119.6° |
| N19 | C20 | C15 | 124.1° | 120.8° |
| N19 | C20 | H20 | 117.9° | 119.6° |
| C13 | N21 | C22 | 122.6° | 113.8° |
| N21 | C13 | H13 | 110.0° | 110.0° |
| C13 | N21 | H21 | 118.7° | 123.5° |
| N21 | C22 | O23 | 123.3° | 121.3° |
| N21 | C22 | C24 | 115.6° | 118.0° |
| C22 | N21 | H21 | 118.7° | 122.7° |
| O23 | C22 | C24 | 120.8° | 120.6° |
| C22 | C24 | N25 | 107.0° | 109.5° |
| C22 | C24 | C36 | 113.2° | 109.2° |
| C22 | C24 | H24 | 107.4° | 109.5° |
| C24 | N25 | C26 | 121.5° | 120.0° |
| N25 | C24 | C36 | 113.5° | 109.5° |
| N25 | C24 | H24 | 108.3° | 109.6° |
| C24 | N25 | H25 | 119.2° | 120.0° |
| N25 | C26 | O27 | 123.0° | 120.0° |
| N25 | C26 | C28 | 115.4° | 120.0° |
| C26 | N25 | H25 | 119.2° | 120.0° |
| O27 | C26 | C28 | 121.7° | 120.0° |
| C26 | C28 | C29 | 125.8° | 119.8° |
| C26 | C28 | N35 | 112.5° | 119.8° |
| C28 | C29 | O30 | 122.1° | 120.6° |
| C28 | C29 | C31 | 119.3° | 118.9° |
| C29 | C28 | N35 | 120.6° | 120.5° |
| O30 | C29 | C31 | 118.6° | 120.5° |
| C29 | O30 | H30 | 109.5° | 114.0° |
| C29 | C31 | CL32 | 119.5° | 120.8° |
| C29 | C31 | C33 | 120.8° | 118.4° |
| CL32 | C31 | C33 | 119.6° | 120.8° |
| C31 | C33 | C34 | 116.3° | 119.4° |
| C31 | C33 | H33 | 121.8° | 120.3° |
| C33 | C34 | N35 | 124.2° | 121.1° |
| C34 | C33 | H33 | 121.9° | 120.3° |
| C33 | C34 | H34 | 117.9° | 119.4° |
| C34 | N35 | C28 | 118.8° | 121.7° |
| N35 | C34 | H34 | 117.9° | 119.5° |
| C24 | C36 | C37 | 114.7° | 109.3° |
| C24 | C36 | O38 | 105.3° | 109.0° |
| C36 | C24 | H24 | 107.2° | 109.5° |
| C24 | C36 | H36 | 109.1° | 109.4° |
| C37 | C36 | O38 | 108.1° | 109.8° |
| C37 | C36 | H36 | 109.4° | 109.5° |
| C36 | C37 | H37B | 109.5° | 109.5° |
| C36 | C37 | H37A | 109.5° | 109.5° |
| C36 | C37 | H37C | 109.4° | 109.5° |
| C36 | O38 | C39 | 117.2° | 118.6° |
| O38 | C36 | H36 | 110.1° | 109.8° |
| O38 | C39 | O40 | 123.9° | 120.4° |
| O38 | C39 | C5 | 110.6° | 120.2° |
| O40 | C39 | C5 | 125.5° | 119.3° |
| C15 | C20 | H20 | 118.0° | 119.6° |
| H4C | C4 | H4B | 109.5° | 109.4° |
| H4C | C4 | H4A | 109.4° | 109.5° |
| H4B | C4 | H4A | 109.5° | 109.5° |
| H10C | C10 | H10A | 109.5° | 109.4° |
| H10C | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H2B | C2 | H2A | 109.4° | 109.5° |
| H14B | C14 | H14A | 109.5° | 109.5° |
| H37B | C37 | H37A | 109.4° | 109.4° |
| H37B | C37 | H37C | 109.5° | 109.4° |
| H37A | C37 | H37C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2B | 120.5° | 120.0° |
| C1 | C2 | C3 | H2A | 120.5° | 120.0° |
| C1 | C2 | C3 | C4 | 99.9° | 85.0° |
| C1 | C2 | C3 | C5 | 79.9° | 95.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.1° |
| C2 | C1 | H1C | H1A | 120.0° | 119.9° |
| C2 | C1 | H1B | H1A | 119.9° | 119.9° |
| C1 | C2 | H2B | H2A | 118.5° | 120.1° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C5 | O6 | 27.9° | 6.2° |
| C2 | C3 | C5 | C39 | 151.5° | 176.4° |
| C2 | C3 | C4 | H4C | 180.0° | 5.0° |
| C2 | C3 | C4 | H4B | 60.0° | 114.9° |
| C2 | C3 | C4 | H4A | 60.0° | 125.1° |
| C3 | C2 | C1 | H1C | 180.0° | 60.1° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | H2B | H2A | 118.5° | 120.0° |
| C4 | C3 | C5 | O6 | 151.9° | 173.8° |
| C4 | C3 | C5 | C39 | 28.8° | 3.6° |
| C3 | C4 | H4C | H4B | 120.0° | 120.0° |
| C3 | C4 | H4C | H4A | 120.0° | 120.0° |
| C3 | C4 | H4B | H4A | 120.0° | 120.0° |
| C4 | C3 | C2 | H2B | 139.6° | 155.0° |
| C4 | C3 | C2 | H2A | 20.6° | 35.0° |
| C3 | C5 | O6 | C39 | 179.4° | 177.3° |
| C3 | C5 | O6 | C7 | 113.0° | 153.0° |
| C3 | C5 | C39 | O38 | 159.0° | 163.9° |
| C3 | C5 | C39 | O40 | 21.1° | 16.7° |
| C5 | C3 | C4 | H4C | 0.2° | 174.9° |
| C5 | C3 | C4 | H4B | 120.2° | 65.1° |
| C5 | C3 | C4 | H4A | 119.8° | 54.9° |
| C5 | C3 | C2 | H2B | 40.6° | 25.0° |
| C5 | C3 | C2 | H2A | 159.6° | 145.0° |
| C5 | O6 | C7 | O8 | 1.5° | 16.1° |
| C5 | O6 | C7 | C9 | 178.5° | 163.9° |
| O6 | C5 | C39 | O38 | 20.4° | 13.5° |
| O6 | C5 | C39 | O40 | 159.6° | 165.9° |
| O6 | C7 | O8 | C9 | 180.0° | 180.0° |
| O6 | C7 | C9 | C10 | 87.3° | 59.6° |
| O6 | C7 | C9 | C11 | 148.2° | 179.6° |
| C7 | O6 | C5 | C39 | 67.6° | 29.7° |
| O6 | C7 | C9 | H9 | 29.3° | 59.1° |
| O8 | C7 | C9 | C10 | 92.7° | 120.4° |
| O8 | C7 | C9 | C11 | 31.7° | 0.4° |
| O8 | C7 | C9 | H9 | 150.6° | 120.8° |
| C7 | C9 | C10 | C11 | 125.0° | 121.8° |
| C7 | C9 | C10 | H9 | 116.7° | 118.8° |
| C7 | C9 | C11 | H9 | 119.0° | 120.3° |
| C7 | C9 | C11 | O12 | 48.2° | 45.1° |
| C7 | C9 | C11 | C13 | 78.5° | 77.4° |
| C7 | C9 | C10 | H10C | 180.0° | 60.1° |
| C7 | C9 | C10 | H10A | 60.0° | 180.0° |
| C7 | C9 | C10 | H10B | 60.0° | 60.0° |
| C7 | C9 | C11 | H11 | 164.5° | 164.0° |
| C10 | C9 | C11 | H9 | 118.4° | 119.1° |
| C10 | C9 | C11 | O12 | 74.4° | 75.5° |
| C10 | C9 | C11 | C13 | 158.9° | 162.0° |
| C9 | C10 | H10C | H10A | 120.0° | 119.9° |
| C9 | C10 | H10C | H10B | 120.0° | 120.1° |
| C9 | C10 | H10A | H10B | 120.0° | 120.1° |
| C10 | C9 | C11 | H11 | 41.9° | 43.4° |
| C9 | C11 | O12 | C13 | 128.4° | 122.4° |
| C9 | C11 | O12 | H11 | 115.4° | 119.0° |
| C9 | C11 | C13 | H11 | 117.0° | 118.7° |
| C9 | C11 | C13 | C14 | 175.5° | 156.6° |
| C9 | C11 | C13 | N21 | 63.9° | 83.6° |
| C11 | C9 | C10 | H10C | 55.0° | 178.1° |
| C11 | C9 | C10 | H10A | 65.0° | 58.3° |
| C11 | C9 | C10 | H10B | 175.0° | 61.8° |
| C9 | C11 | C13 | H13 | 55.7° | 36.8° |
| C9 | C11 | O12 | H12 | 32.8° | 59.9° |
| O12 | C11 | C13 | H11 | 117.1° | 118.6° |
| O12 | C11 | C13 | C14 | 58.6° | 80.7° |
| O12 | C11 | C13 | N21 | 62.0° | 39.1° |
| O12 | C11 | C13 | H13 | 178.4° | 159.5° |
| O12 | C11 | C9 | H9 | 167.2° | 165.4° |
| C11 | C13 | C14 | N21 | 119.7° | 119.4° |
| C11 | C13 | C14 | H13 | 119.8° | 119.9° |
| C11 | C13 | C14 | C15 | 170.4° | 175.7° |
| C11 | C13 | N21 | H13 | 118.9° | 120.1° |
| C11 | C13 | N21 | C22 | 134.2° | 132.5° |
| C13 | C11 | C9 | H9 | 40.5° | 42.9° |
| C13 | C11 | O12 | H12 | 95.6° | 177.6° |
| C11 | C13 | C14 | H14B | 49.7° | 64.4° |
| C11 | C13 | C14 | H14A | 68.8° | 55.7° |
| C11 | C13 | N21 | H21 | 45.8° | 47.9° |
| C13 | C14 | C15 | H14B | 120.8° | 120.0° |
| C13 | C14 | C15 | H14A | 120.8° | 120.0° |
| C13 | C14 | C15 | C16 | 87.8° | 86.1° |
| C14 | C13 | N21 | H13 | 119.9° | 120.2° |
| C14 | C13 | N21 | C22 | 104.6° | 107.8° |
| C13 | C14 | C15 | C20 | 91.7° | 94.1° |
| C14 | C13 | C11 | H11 | 58.4° | 37.9° |
| C13 | C14 | H14B | H14A | 117.6° | 120.1° |
| C14 | C13 | N21 | H21 | 75.5° | 71.8° |
| C14 | C15 | C16 | C20 | 179.5° | 179.8° |
| C14 | C15 | C16 | C17 | 179.1° | 179.7° |
| C14 | C15 | C20 | N19 | 179.4° | 179.7° |
| C15 | C14 | C13 | N21 | 50.7° | 64.9° |
| C15 | C14 | C13 | H13 | 69.8° | 55.8° |
| C14 | C15 | C20 | H20 | 0.6° | 0.2° |
| C15 | C14 | H14B | H14A | 117.6° | 120.0° |
| C14 | C15 | C16 | H16 | 0.9° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | C20 | N19 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C15 | C20 | H20 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14B | 33.0° | 33.9° |
| C16 | C15 | C14 | H14A | 151.4° | 153.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.1° | 0.0° |
| C17 | C16 | C15 | C20 | 0.3° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | N19 | H18 | 180.0° | 179.9° |
| C17 | C18 | N19 | C20 | 0.2° | 0.0° |
| C18 | C17 | C16 | H16 | 179.7° | 179.9° |
| C18 | N19 | C20 | C15 | 0.2° | 0.0° |
| N19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | N19 | C20 | H20 | 179.8° | 180.0° |
| N19 | C20 | C15 | H20 | 180.0° | 179.9° |
| C20 | N19 | C18 | H18 | 179.8° | 180.0° |
| C13 | N21 | C22 | H21 | 180.0° | 179.6° |
| C13 | N21 | C22 | O23 | 1.1° | 0.7° |
| C13 | N21 | C22 | C24 | 173.3° | 179.3° |
| N21 | C13 | C11 | H11 | 179.1° | 157.7° |
| N21 | C13 | C14 | H14B | 70.1° | 55.1° |
| N21 | C13 | C14 | H14A | 171.5° | 175.1° |
| N21 | C22 | O23 | C24 | 174.1° | 180.0° |
| N21 | C22 | C24 | N25 | 123.7° | 136.3° |
| N21 | C22 | C24 | C36 | 110.6° | 103.8° |
| C22 | N21 | C13 | H13 | 15.3° | 12.4° |
| N21 | C22 | C24 | H24 | 7.6° | 16.1° |
| O23 | C22 | C24 | N25 | 50.9° | 43.6° |
| O23 | C22 | C24 | C36 | 74.9° | 76.2° |
| O23 | C22 | C24 | H24 | 167.0° | 163.9° |
| O23 | C22 | N21 | H21 | 178.9° | 178.9° |
| C22 | C24 | N25 | C36 | 125.6° | 119.7° |
| C22 | C24 | N25 | H24 | 115.5° | 120.1° |
| C22 | C24 | N25 | C26 | 153.7° | 150.7° |
| C22 | C24 | C36 | H24 | 118.2° | 119.8° |
| C22 | C24 | C36 | C37 | 84.8° | 99.7° |
| C22 | C24 | C36 | O38 | 33.9° | 20.3° |
| C24 | C22 | N21 | H21 | 6.7° | 1.0° |
| C22 | C24 | N25 | H25 | 26.3° | 29.2° |
| C22 | C24 | C36 | H36 | 152.1° | 140.4° |
| C24 | N25 | C26 | H25 | 180.0° | 179.9° |
| C24 | N25 | C26 | O27 | 5.7° | 5.0° |
| C24 | N25 | C26 | C28 | 174.2° | 174.9° |
| N25 | C24 | C36 | H24 | 119.6° | 120.3° |
| N25 | C24 | C36 | C37 | 37.4° | 20.2° |
| N25 | C24 | C36 | O38 | 156.1° | 140.2° |
| N25 | C24 | C36 | H36 | 85.7° | 99.7° |
| N25 | C26 | O27 | C28 | 179.9° | 179.9° |
| N25 | C26 | C28 | C29 | 0.3° | 174.8° |
| C26 | N25 | C24 | C36 | 80.7° | 89.6° |
| N25 | C26 | C28 | N35 | 167.9° | 4.9° |
| C26 | N25 | C24 | H24 | 38.2° | 30.6° |
| O27 | C26 | C28 | C29 | 179.8° | 5.3° |
| O27 | C26 | C28 | N35 | 12.1° | 175.0° |
| O27 | C26 | N25 | H25 | 174.2° | 175.0° |
| C26 | C28 | C29 | N35 | 167.3° | 179.7° |
| C26 | C28 | C29 | O30 | 16.9° | 0.0° |
| C26 | C28 | C29 | C31 | 165.2° | 179.9° |
| C26 | C28 | N35 | C34 | 166.6° | 179.8° |
| C28 | C26 | N25 | H25 | 5.8° | 5.1° |
| C28 | C29 | O30 | C31 | 177.9° | 179.9° |
| C28 | C29 | C31 | CL32 | 177.7° | 180.0° |
| C28 | C29 | C31 | C33 | 0.8° | 0.0° |
| C29 | C28 | N35 | C34 | 2.2° | 0.6° |
| C28 | C29 | O30 | H30 | 180.0° | 95.0° |
| O30 | C29 | C31 | CL32 | 0.3° | 0.0° |
| O30 | C29 | C31 | C33 | 177.2° | 180.0° |
| O30 | C29 | C28 | N35 | 175.9° | 179.7° |
| C29 | C31 | CL32 | C33 | 177.0° | 180.0° |
| C29 | C31 | C33 | C34 | 0.3° | 0.0° |
| C31 | C29 | C28 | N35 | 2.1° | 0.3° |
| C31 | C29 | O30 | H30 | 2.1° | 84.9° |
| C29 | C31 | C33 | H33 | 179.7° | 180.0° |
| CL32 | C31 | C33 | C34 | 176.6° | 180.0° |
| CL32 | C31 | C33 | H33 | 3.4° | 0.0° |
| C31 | C33 | C34 | H33 | 180.0° | 180.0° |
| C31 | C33 | C34 | N35 | 0.2° | 0.3° |
| C31 | C33 | C34 | H34 | 179.8° | 180.0° |
| C33 | C34 | N35 | H34 | 180.0° | 179.7° |
| C33 | C34 | N35 | C28 | 1.1° | 0.6° |
| N35 | C34 | C33 | H33 | 179.8° | 179.7° |
| C24 | C36 | C37 | O38 | 117.1° | 119.6° |
| C24 | C36 | C37 | H36 | 122.9° | 119.8° |
| C24 | C36 | O38 | H36 | 117.5° | 119.8° |
| C24 | C36 | O38 | C39 | 136.1° | 153.2° |
| C36 | C24 | N25 | H25 | 99.3° | 90.5° |
| C24 | C36 | C37 | H37B | 180.0° | 60.0° |
| C24 | C36 | C37 | H37A | 60.0° | 180.0° |
| C24 | C36 | C37 | H37C | 60.0° | 59.9° |
| C37 | C36 | O38 | H36 | 119.4° | 120.4° |
| C37 | C36 | O38 | C39 | 100.8° | 87.1° |
| C37 | C36 | C24 | H24 | 156.9° | 140.4° |
| C36 | C37 | H37B | H37A | 120.0° | 120.0° |
| C36 | C37 | H37B | H37C | 120.0° | 120.0° |
| C36 | C37 | H37A | H37C | 120.0° | 120.1° |
| C36 | O38 | C39 | O40 | 1.4° | 3.1° |
| C36 | O38 | C39 | C5 | 178.6° | 176.3° |
| O38 | C36 | C24 | H24 | 84.4° | 99.5° |
| O38 | C36 | C37 | H37B | 62.9° | 59.5° |
| O38 | C36 | C37 | H37A | 177.1° | 60.4° |
| O38 | C36 | C37 | H37C | 57.1° | 179.5° |
| O38 | C39 | O40 | C5 | 180.0° | 179.4° |
| C39 | O38 | C36 | H36 | 18.6° | 33.4° |
| C20 | C15 | C14 | H14B | 147.5° | 145.8° |
| C20 | C15 | C14 | H14A | 29.1° | 25.9° |
| C20 | C15 | C16 | H16 | 179.7° | 180.0° |
| C28 | N35 | C34 | H34 | 178.9° | 179.7° |
| H4C | C4 | H4B | H4A | 120.0° | 120.0° |
| H10C | C10 | H10A | H10B | 120.0° | 120.0° |
| H10C | C10 | C9 | H9 | 63.3° | 58.7° |
| H10A | C10 | C9 | H9 | 176.7° | 61.1° |
| H10B | C10 | C9 | H9 | 56.7° | 178.8° |
| H13 | C13 | C11 | H11 | 61.4° | 81.9° |
| H13 | C13 | C14 | H14B | 169.4° | 175.7° |
| H13 | C13 | C14 | H14A | 51.0° | 64.2° |
| H13 | C13 | N21 | H21 | 164.7° | 168.0° |
| H17 | C17 | C16 | H16 | 0.3° | 0.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H24 | C24 | N25 | H25 | 141.8° | 149.3° |
| H24 | C24 | C36 | H36 | 33.8° | 20.5° |
| H1C | C1 | H1B | H1A | 120.0° | 120.0° |
| H1C | C1 | C2 | H2B | 59.5° | 59.9° |
| H1C | C1 | C2 | H2A | 59.5° | 180.0° |
| H1B | C1 | C2 | H2B | 60.5° | 180.0° |
| H1B | C1 | C2 | H2A | 179.5° | 59.9° |
| H1A | C1 | C2 | H2B | 179.5° | 60.0° |
| H1A | C1 | C2 | H2A | 60.5° | 60.0° |
| H9 | C9 | C11 | H11 | 76.5° | 75.7° |
| H11 | C11 | O12 | H12 | 148.2° | 59.0° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| H36 | C36 | C37 | H37B | 57.0° | 179.8° |
| H36 | C36 | C37 | H37A | 62.9° | 60.2° |
| H36 | C36 | C37 | H37C | 177.1° | 59.9° |
| H37B | C37 | H37A | H37C | 120.0° | 119.9° |
