A1JGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | doub | 1.34Å | 1.34Å | |
| C5 | O6 | sing | 1.35Å | 1.39Å | |
| 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 | 1.43Å | |
| 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 | 1.38Å | 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 | 1.38Å | 1.33Å | |
| 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 | 1.34Å | |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| C26 | C28 | sing | 1.48Å | 1.49Å | |
| C28 | C29 | doub | 1.40Å | 1.43Å | Aromatic |
| C29 | O30 | sing | 1.35Å | 1.33Å | |
| C29 | N31 | sing | 1.33Å | 1.34Å | Aromatic |
| N31 | C32 | doub | 1.32Å | 1.34Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | N34 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | O37 | sing | 1.45Å | 1.46Å | |
| O37 | C38 | sing | 1.34Å | 1.35Å | |
| C38 | O39 | doub | 1.22Å | 1.21Å | |
| C38 | C5 | sing | 1.48Å | 1.48Å | |
| C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N34 | C28 | sing | 1.33Å | 1.34Å | 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 | 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 | 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 | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.2° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C1 | C2 | H2B | 109.3° | 109.5° |
| C1 | C2 | H2A | 109.3° | 109.5° |
| C2 | C3 | C4 | 115.4° | 120.0° |
| C2 | C3 | C5 | 121.4° | 120.0° |
| C3 | C2 | H2B | 109.3° | 109.5° |
| C3 | C2 | H2A | 109.3° | 109.4° |
| C4 | C3 | C5 | 123.2° | 120.0° |
| C3 | C4 | H4C | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.4° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C5 | O6 | 120.9° | 120.0° |
| C3 | C5 | C38 | 125.7° | 118.7° |
| C5 | O6 | C7 | 129.8° | 120.6° |
| O6 | C5 | C38 | 113.3° | 121.2° |
| O6 | C7 | O8 | 122.8° | 120.1° |
| O6 | C7 | C9 | 110.7° | 119.6° |
| O8 | C7 | C9 | 126.5° | 120.4° |
| C7 | C9 | C10 | 108.7° | 109.2° |
| C7 | C9 | C11 | 112.2° | 111.2° |
| C7 | C9 | H9 | 107.9° | 108.9° |
| C10 | C9 | C11 | 112.5° | 109.4° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.4° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C10 | C9 | H9 | 107.7° | 108.8° |
| C9 | C11 | O12 | 109.7° | 110.7° |
| C9 | C11 | C13 | 113.9° | 110.3° |
| C11 | C9 | H9 | 107.6° | 109.3° |
| C9 | C11 | H11 | 105.7° | 108.6° |
| O12 | C11 | C13 | 114.1° | 110.4° |
| O12 | C11 | H11 | 106.9° | 108.4° |
| C11 | O12 | H12 | 109.5° | 114.0° |
| C11 | C13 | C14 | 111.1° | 109.4° |
| C11 | C13 | N21 | 112.8° | 109.0° |
| C11 | C13 | H13 | 107.4° | 109.5° |
| C13 | C11 | H11 | 105.9° | 108.4° |
| C13 | C14 | C15 | 113.9° | 109.4° |
| C14 | C13 | N21 | 110.0° | 109.6° |
| C14 | C13 | H13 | 107.2° | 109.2° |
| C13 | C14 | H14A | 108.4° | 109.4° |
| C13 | C14 | H14B | 108.4° | 109.5° |
| C14 | C15 | C16 | 121.8° | 120.5° |
| C14 | C15 | C20 | 121.0° | 120.4° |
| C15 | C14 | H14A | 108.3° | 109.4° |
| C15 | C14 | H14B | 108.3° | 109.5° |
| C15 | C16 | C17 | 120.0° | 118.4° |
| C16 | C15 | C20 | 117.2° | 119.2° |
| C15 | C16 | H16 | 120.0° | 120.8° |
| C16 | C17 | C18 | 118.2° | 119.2° |
| C16 | C17 | H17 | 120.9° | 120.4° |
| C17 | C16 | H16 | 120.0° | 120.8° |
| C17 | C18 | N19 | 123.3° | 120.8° |
| C18 | C17 | H17 | 120.9° | 120.4° |
| C17 | C18 | H18 | 118.3° | 119.6° |
| C18 | N19 | C20 | 117.2° | 121.7° |
| N19 | C18 | H18 | 118.4° | 119.6° |
| N19 | C20 | C15 | 124.1° | 120.8° |
| N19 | C20 | H20 | 118.0° | 119.6° |
| C13 | N21 | C22 | 121.7° | 113.8° |
| N21 | C13 | H13 | 108.2° | 110.1° |
| C13 | N21 | H21 | 119.2° | 123.5° |
| N21 | C22 | O23 | 122.5° | 121.4° |
| N21 | C22 | C24 | 116.7° | 118.0° |
| C22 | N21 | H21 | 119.1° | 122.7° |
| O23 | C22 | C24 | 120.5° | 120.6° |
| C22 | C24 | N25 | 103.9° | 109.5° |
| C22 | C24 | C35 | 113.2° | 109.1° |
| C22 | C24 | H24 | 108.6° | 109.5° |
| C24 | N25 | C26 | 123.4° | 120.0° |
| N25 | C24 | C35 | 112.9° | 109.5° |
| N25 | C24 | H24 | 109.6° | 109.6° |
| C24 | N25 | H25 | 118.3° | 120.0° |
| N25 | C26 | O27 | 123.2° | 120.0° |
| N25 | C26 | C28 | 115.3° | 120.0° |
| C26 | N25 | H25 | 118.3° | 120.0° |
| O27 | C26 | C28 | 121.5° | 120.0° |
| C26 | C28 | C29 | 121.7° | 120.2° |
| C26 | C28 | N34 | 116.0° | 120.2° |
| C28 | C29 | O30 | 124.7° | 120.1° |
| C28 | C29 | N31 | 120.1° | 119.7° |
| C29 | C28 | N34 | 121.5° | 119.7° |
| O30 | C29 | N31 | 115.2° | 120.2° |
| C29 | O30 | H30 | 109.5° | 114.0° |
| C29 | N31 | C32 | 117.4° | 120.0° |
| N31 | C32 | C33 | 122.3° | 120.3° |
| N31 | C32 | H32 | 118.8° | 119.9° |
| C32 | C33 | N34 | 122.1° | 120.3° |
| C33 | C32 | H32 | 118.9° | 119.8° |
| C32 | C33 | H33 | 118.9° | 119.8° |
| C33 | N34 | C28 | 116.6° | 120.0° |
| N34 | C33 | H33 | 119.0° | 119.9° |
| C24 | C35 | C36 | 115.5° | 109.3° |
| C24 | C35 | O37 | 105.9° | 109.0° |
| C35 | C24 | H24 | 108.5° | 109.5° |
| C24 | C35 | H35 | 108.7° | 109.4° |
| C36 | C35 | O37 | 108.2° | 109.8° |
| C36 | C35 | H35 | 108.9° | 109.5° |
| C35 | C36 | H36B | 109.5° | 109.5° |
| C35 | C36 | H36A | 109.5° | 109.4° |
| C35 | C36 | H36C | 109.4° | 109.5° |
| C35 | O37 | C38 | 117.8° | 118.6° |
| O37 | C35 | H35 | 109.6° | 109.8° |
| O37 | C38 | O39 | 124.6° | 120.4° |
| O37 | C38 | C5 | 110.5° | 120.2° |
| O39 | C38 | C5 | 124.8° | 119.3° |
| C15 | C20 | H20 | 118.0° | 119.7° |
| H4C | C4 | H4B | 109.5° | 109.5° |
| H4C | C4 | H4A | 109.5° | 109.5° |
| H4B | C4 | H4A | 109.5° | 109.4° |
| H10C | C10 | H10B | 109.5° | 109.4° |
| H10C | C10 | H10A | 109.4° | 109.4° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.4° |
| H1C | C1 | H1A | 109.5° | 109.4° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H2B | C2 | H2A | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H36B | C36 | H36A | 109.5° | 109.5° |
| H36B | C36 | H36C | 109.5° | 109.5° |
| H36A | C36 | H36C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2B | 120.1° | 120.0° |
| C1 | C2 | C3 | H2A | 120.1° | 120.1° |
| C1 | C2 | C3 | C4 | 88.4° | 85.0° |
| C1 | C2 | C3 | C5 | 89.3° | 95.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C2 | C1 | H1C | H1A | 120.0° | 120.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C1 | C2 | H2B | H2A | 119.7° | 120.0° |
| C2 | C3 | C4 | C5 | 177.6° | 179.9° |
| C2 | C3 | C5 | O6 | 28.9° | 0.0° |
| C2 | C3 | C5 | C38 | 148.5° | 177.5° |
| C2 | C3 | C4 | H4C | 180.0° | 0.0° |
| C2 | C3 | C4 | H4B | 60.0° | 120.0° |
| C2 | C3 | C4 | H4A | 60.0° | 120.1° |
| C3 | C2 | C1 | H1C | 180.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 60.0° |
| C3 | C2 | H2B | H2A | 119.7° | 119.9° |
| C4 | C3 | C5 | O6 | 148.6° | 180.0° |
| C4 | C3 | C5 | C38 | 34.0° | 2.5° |
| C3 | C4 | H4C | H4B | 120.0° | 120.1° |
| C3 | C4 | H4C | H4A | 120.0° | 120.0° |
| C3 | C4 | H4B | H4A | 120.0° | 120.0° |
| C4 | C3 | C2 | H2B | 151.5° | 155.0° |
| C4 | C3 | C2 | H2A | 31.7° | 35.1° |
| C3 | C5 | O6 | C38 | 177.7° | 177.4° |
| C3 | C5 | O6 | C7 | 110.8° | 153.0° |
| C3 | C5 | C38 | O37 | 156.3° | 163.9° |
| C3 | C5 | C38 | O39 | 26.4° | 16.7° |
| C5 | C3 | C4 | H4C | 2.3° | 180.0° |
| C5 | C3 | C4 | H4B | 122.4° | 60.0° |
| C5 | C3 | C4 | H4A | 117.7° | 60.0° |
| C5 | C3 | C2 | H2B | 30.8° | 25.1° |
| C5 | C3 | C2 | H2A | 150.6° | 145.0° |
| C5 | O6 | C7 | O8 | 2.4° | 16.1° |
| C5 | O6 | C7 | C9 | 175.4° | 163.9° |
| O6 | C5 | C38 | O37 | 21.3° | 13.5° |
| O6 | C5 | C38 | O39 | 156.0° | 165.9° |
| O6 | C7 | O8 | C9 | 177.5° | 180.0° |
| O6 | C7 | C9 | C10 | 82.0° | 59.6° |
| O6 | C7 | C9 | C11 | 152.9° | 179.6° |
| C7 | O6 | C5 | C38 | 71.4° | 29.6° |
| O6 | C7 | C9 | H9 | 34.6° | 59.1° |
| O8 | C7 | C9 | C10 | 100.3° | 120.4° |
| O8 | C7 | C9 | C11 | 24.8° | 0.4° |
| O8 | C7 | C9 | H9 | 143.2° | 120.9° |
| C7 | C9 | C10 | C11 | 125.0° | 121.9° |
| C7 | C9 | C10 | H9 | 116.6° | 118.8° |
| C7 | C9 | C11 | H9 | 118.5° | 120.3° |
| C7 | C9 | C11 | O12 | 50.6° | 45.1° |
| C7 | C9 | C11 | C13 | 78.6° | 77.3° |
| 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 | 165.6° | 164.0° |
| C10 | C9 | C11 | H9 | 118.5° | 119.0° |
| C10 | C9 | C11 | O12 | 72.4° | 75.6° |
| C10 | C9 | C11 | C13 | 158.4° | 162.0° |
| C9 | C10 | H10C | H10B | 120.0° | 120.0° |
| C9 | C10 | H10C | H10A | 120.0° | 120.0° |
| C9 | C10 | H10B | H10A | 120.0° | 120.1° |
| C10 | C9 | C11 | H11 | 42.6° | 43.3° |
| C9 | C11 | O12 | C13 | 129.2° | 122.4° |
| C9 | C11 | O12 | H11 | 114.1° | 119.0° |
| C9 | C11 | C13 | H11 | 115.7° | 118.8° |
| C9 | C11 | C13 | C14 | 177.4° | 156.6° |
| C9 | C11 | C13 | N21 | 58.6° | 83.5° |
| C11 | C9 | C10 | H10C | 55.1° | 178.1° |
| C11 | C9 | C10 | H10B | 65.0° | 58.2° |
| C11 | C9 | C10 | H10A | 175.0° | 61.9° |
| C9 | C11 | C13 | H13 | 60.5° | 37.0° |
| C9 | C11 | O12 | H12 | 37.2° | 60.0° |
| O12 | C11 | C13 | H11 | 117.3° | 118.6° |
| O12 | C11 | C13 | C14 | 55.7° | 80.7° |
| O12 | C11 | C13 | N21 | 68.4° | 39.1° |
| O12 | C11 | C13 | H13 | 172.6° | 159.6° |
| O12 | C11 | C9 | H9 | 169.1° | 165.4° |
| C11 | C13 | C14 | N21 | 125.6° | 119.5° |
| C11 | C13 | C14 | H13 | 117.0° | 119.8° |
| C11 | C13 | C14 | C15 | 175.3° | 175.1° |
| C11 | C13 | N21 | H13 | 118.6° | 120.1° |
| C11 | C13 | N21 | C22 | 122.3° | 132.5° |
| C13 | C11 | C9 | H9 | 39.9° | 43.0° |
| C13 | C11 | O12 | H12 | 91.9° | 177.6° |
| C11 | C13 | C14 | H14A | 54.7° | 64.9° |
| C11 | C13 | C14 | H14B | 64.0° | 55.1° |
| C11 | C13 | N21 | H21 | 57.7° | 48.0° |
| C13 | C14 | C15 | H14A | 120.7° | 119.9° |
| C13 | C14 | C15 | H14B | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 95.8° | 95.4° |
| C14 | C13 | N21 | H13 | 116.7° | 120.2° |
| C14 | C13 | N21 | C22 | 113.0° | 107.8° |
| C13 | C14 | C15 | C20 | 82.2° | 84.9° |
| C14 | C13 | C11 | H11 | 61.7° | 37.9° |
| C13 | C14 | H14A | H14B | 118.0° | 120.1° |
| C14 | C13 | N21 | H21 | 66.9° | 71.8° |
| C14 | C15 | C16 | C20 | 178.0° | 179.7° |
| C14 | C15 | C16 | C17 | 177.9° | 179.7° |
| C14 | C15 | C20 | N19 | 177.9° | 179.8° |
| C15 | C14 | C13 | N21 | 49.7° | 65.4° |
| C15 | C14 | C13 | H13 | 67.7° | 55.3° |
| C14 | C15 | C20 | H20 | 2.1° | 0.3° |
| C15 | C14 | H14A | H14B | 118.0° | 120.0° |
| C14 | C15 | C16 | H16 | 2.0° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | C15 | C20 | N19 | 0.2° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C20 | H20 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14A | 24.9° | 24.5° |
| C16 | C15 | C14 | H14B | 143.5° | 144.6° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.1° | 0.0° |
| C17 | C16 | C15 | C20 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | N19 | H18 | 180.0° | 180.0° |
| C17 | C18 | N19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C16 | H16 | 180.0° | 179.9° |
| C18 | N19 | C20 | C15 | 0.2° | 0.1° |
| N19 | C18 | C17 | H17 | 179.9° | 179.9° |
| C18 | N19 | C20 | H20 | 179.8° | 180.0° |
| N19 | C20 | C15 | H20 | 180.0° | 180.0° |
| C20 | N19 | C18 | H18 | 179.9° | 180.0° |
| C13 | N21 | C22 | H21 | 180.0° | 179.6° |
| C13 | N21 | C22 | O23 | 0.7° | 0.7° |
| C13 | N21 | C22 | C24 | 174.0° | 179.4° |
| N21 | C13 | C11 | H11 | 174.3° | 157.7° |
| N21 | C13 | C14 | H14A | 71.0° | 54.5° |
| N21 | C13 | C14 | H14B | 170.3° | 174.6° |
| N21 | C22 | O23 | C24 | 173.1° | 179.9° |
| N21 | C22 | C24 | N25 | 119.6° | 136.3° |
| N21 | C22 | C24 | C35 | 117.5° | 103.8° |
| C22 | N21 | C13 | H13 | 3.7° | 12.4° |
| N21 | C22 | C24 | H24 | 3.0° | 16.1° |
| O23 | C22 | C24 | N25 | 53.9° | 43.6° |
| O23 | C22 | C24 | C35 | 69.0° | 76.3° |
| O23 | C22 | C24 | H24 | 170.5° | 163.9° |
| O23 | C22 | N21 | H21 | 179.3° | 178.9° |
| C22 | C24 | N25 | C35 | 123.1° | 119.6° |
| C22 | C24 | N25 | H24 | 115.9° | 120.2° |
| C22 | C24 | N25 | C26 | 129.6° | 151.3° |
| C22 | C24 | C35 | H24 | 120.6° | 119.8° |
| C22 | C24 | C35 | C36 | 86.8° | 99.7° |
| C22 | C24 | C35 | O37 | 32.8° | 20.3° |
| C24 | C22 | N21 | H21 | 5.9° | 1.1° |
| C22 | C24 | N25 | H25 | 50.4° | 28.6° |
| C22 | C24 | C35 | H35 | 150.5° | 140.4° |
| C24 | N25 | C26 | H25 | 180.0° | 180.0° |
| C24 | N25 | C26 | O27 | 7.7° | 4.9° |
| C24 | N25 | C26 | C28 | 171.3° | 175.0° |
| N25 | C24 | C35 | H24 | 121.7° | 120.3° |
| N25 | C24 | C35 | C36 | 30.9° | 20.2° |
| N25 | C24 | C35 | O37 | 150.6° | 140.2° |
| N25 | C24 | C35 | H35 | 91.7° | 99.7° |
| N25 | C26 | O27 | C28 | 179.0° | 179.9° |
| N25 | C26 | C28 | C29 | 2.0° | 174.5° |
| C26 | N25 | C24 | C35 | 107.3° | 89.0° |
| N25 | C26 | C28 | N34 | 167.9° | 5.8° |
| C26 | N25 | C24 | H24 | 13.7° | 31.2° |
| O27 | C26 | C28 | C29 | 178.9° | 5.4° |
| O27 | C26 | C28 | N34 | 11.1° | 174.4° |
| O27 | C26 | N25 | H25 | 172.3° | 175.1° |
| C26 | C28 | C29 | N34 | 169.4° | 179.7° |
| C26 | C28 | C29 | O30 | 9.1° | 0.1° |
| C26 | C28 | C29 | N31 | 169.1° | 180.0° |
| C26 | C28 | N34 | C33 | 169.1° | 179.7° |
| C28 | C26 | N25 | H25 | 8.7° | 5.1° |
| C28 | C29 | O30 | N31 | 178.3° | 179.9° |
| C28 | C29 | N31 | C32 | 0.3° | 0.1° |
| C29 | C28 | N34 | C33 | 0.9° | 0.5° |
| C28 | C29 | O30 | H30 | 178.3° | 95.2° |
| O30 | C29 | N31 | C32 | 178.1° | 180.0° |
| O30 | C29 | C28 | N34 | 178.5° | 179.8° |
| C29 | N31 | C32 | C33 | 0.4° | 0.1° |
| N31 | C29 | C28 | N34 | 0.3° | 0.3° |
| N31 | C29 | O30 | H30 | 0.0° | 84.9° |
| C29 | N31 | C32 | H32 | 179.6° | 180.0° |
| N31 | C32 | C33 | H32 | 180.0° | 179.9° |
| N31 | C32 | C33 | N34 | 0.2° | 0.4° |
| N31 | C32 | C33 | H33 | 179.8° | 180.0° |
| C32 | C33 | N34 | H33 | 180.0° | 179.7° |
| C32 | C33 | N34 | C28 | 0.8° | 0.6° |
| N34 | C33 | C32 | H32 | 179.8° | 179.7° |
| C24 | C35 | C36 | O37 | 118.4° | 119.5° |
| C24 | C35 | C36 | H35 | 122.6° | 119.8° |
| C24 | C35 | O37 | H35 | 117.1° | 119.8° |
| C24 | C35 | O37 | C38 | 129.0° | 153.2° |
| C35 | C24 | N25 | H25 | 72.7° | 91.0° |
| C24 | C35 | C36 | H36B | 180.0° | 60.0° |
| C24 | C35 | C36 | H36A | 60.0° | 180.0° |
| C24 | C35 | C36 | H36C | 60.0° | 60.0° |
| C36 | C35 | O37 | H35 | 118.6° | 120.5° |
| C36 | C35 | O37 | C38 | 106.6° | 87.1° |
| C36 | C35 | C24 | H24 | 152.6° | 140.5° |
| C35 | C36 | H36B | H36A | 120.0° | 119.9° |
| C35 | C36 | H36B | H36C | 120.0° | 120.0° |
| C35 | C36 | H36A | H36C | 120.0° | 120.0° |
| C35 | O37 | C38 | O39 | 3.8° | 3.1° |
| C35 | O37 | C38 | C5 | 173.5° | 176.3° |
| O37 | C35 | C24 | H24 | 87.7° | 99.5° |
| O37 | C35 | C36 | H36B | 61.6° | 59.5° |
| O37 | C35 | C36 | H36A | 178.4° | 60.5° |
| O37 | C35 | C36 | H36C | 58.4° | 179.5° |
| O37 | C38 | O39 | C5 | 176.9° | 179.4° |
| C38 | O37 | C35 | H35 | 12.0° | 33.4° |
| C20 | C15 | C14 | H14A | 157.2° | 155.2° |
| C20 | C15 | C14 | H14B | 38.5° | 35.2° |
| C20 | C15 | C16 | H16 | 179.9° | 179.9° |
| C28 | N34 | C33 | H33 | 179.2° | 179.8° |
| H4C | C4 | H4B | H4A | 120.0° | 119.9° |
| H10C | C10 | H10B | H10A | 120.0° | 119.9° |
| H10C | C10 | C9 | H9 | 63.3° | 58.8° |
| H10B | C10 | C9 | H9 | 176.6° | 61.1° |
| H10A | C10 | C9 | H9 | 56.6° | 178.8° |
| H13 | C13 | C11 | H11 | 55.2° | 81.8° |
| H13 | C13 | C14 | H14A | 171.7° | 175.2° |
| H13 | C13 | C14 | H14B | 53.0° | 64.7° |
| H13 | C13 | N21 | H21 | 176.3° | 168.1° |
| H17 | C17 | C16 | H16 | 0.0° | 0.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H24 | C24 | N25 | H25 | 166.3° | 148.8° |
| H24 | C24 | C35 | H35 | 30.0° | 20.6° |
| H1C | C1 | H1B | H1A | 120.0° | 119.9° |
| H1C | C1 | C2 | H2B | 59.9° | 60.0° |
| H1C | C1 | C2 | H2A | 59.9° | 60.0° |
| H1B | C1 | C2 | H2B | 60.1° | 60.0° |
| H1B | C1 | C2 | H2A | 179.9° | 180.0° |
| H1A | C1 | C2 | H2B | 179.9° | 180.0° |
| H1A | C1 | C2 | H2A | 60.1° | 60.0° |
| H9 | C9 | C11 | H11 | 75.9° | 75.7° |
| H11 | C11 | O12 | H12 | 151.4° | 59.0° |
| H32 | C32 | C33 | H33 | 0.2° | 0.0° |
| H35 | C35 | C36 | H36B | 57.5° | 179.8° |
| H35 | C35 | C36 | H36A | 62.5° | 60.2° |
| H35 | C35 | C36 | H36C | 177.4° | 59.8° |
| H36B | C36 | H36A | H36C | 120.0° | 120.0° |
