A1JG1
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 | 1.46Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | doub | 1.34Å | 1.34Å | |
| 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 | 1.38Å | 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 | 1.34Å | |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| C26 | C28 | sing | 1.48Å | 1.49Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.34Å | Aromatic |
| N30 | C31 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | O34 | sing | 1.36Å | 1.36Å | |
| 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 | 1.34Å | |
| C38 | O39 | doub | 1.22Å | 1.21Å | |
| C38 | C5 | sing | 1.48Å | 1.49Å | |
| C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C28 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4C | 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 | 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 | 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 | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| 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 | 110.4° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C2 | C1 | H1C | 109.5° | 109.4° |
| C1 | C2 | H2A | 109.2° | 109.5° |
| C1 | C2 | H2B | 109.2° | 109.5° |
| C2 | C3 | C4 | 114.6° | 120.0° |
| C2 | C3 | C5 | 121.9° | 119.9° |
| C3 | C2 | H2A | 109.2° | 109.4° |
| C3 | C2 | H2B | 109.2° | 109.4° |
| C4 | C3 | C5 | 123.4° | 120.0° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C4 | H4C | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.5° |
| C3 | C5 | O6 | 119.4° | 120.0° |
| C3 | C5 | C38 | 124.7° | 118.7° |
| C5 | O6 | C7 | 117.2° | 120.6° |
| O6 | C5 | C38 | 115.8° | 121.2° |
| O6 | C7 | O8 | 122.9° | 120.1° |
| O6 | C7 | C9 | 110.7° | 119.5° |
| O8 | C7 | C9 | 126.4° | 120.4° |
| C7 | C9 | C10 | 108.1° | 109.2° |
| C7 | C9 | C11 | 113.4° | 111.1° |
| C7 | C9 | H9 | 107.8° | 108.9° |
| C10 | C9 | C11 | 112.1° | 109.5° |
| C9 | C10 | H10C | 109.5° | 109.4° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C10 | C9 | H9 | 107.7° | 108.8° |
| C9 | C11 | O12 | 110.4° | 110.7° |
| C9 | C11 | C13 | 114.7° | 110.4° |
| C11 | C9 | H9 | 107.6° | 109.2° |
| C9 | C11 | H11 | 106.0° | 108.6° |
| O12 | C11 | C13 | 111.7° | 110.4° |
| O12 | C11 | H11 | 107.5° | 108.4° |
| C11 | O12 | H12 | 109.5° | 114.0° |
| C11 | C13 | C14 | 111.3° | 109.5° |
| C11 | C13 | N21 | 109.6° | 109.0° |
| C11 | C13 | H13 | 108.2° | 109.4° |
| C13 | C11 | H11 | 106.0° | 108.4° |
| C13 | C14 | C15 | 114.4° | 109.5° |
| C14 | C13 | N21 | 110.1° | 109.6° |
| C14 | C13 | H13 | 108.3° | 109.3° |
| C13 | C14 | H14B | 108.2° | 109.5° |
| C13 | C14 | H14A | 108.2° | 109.5° |
| C14 | C15 | C16 | 121.9° | 120.4° |
| C14 | C15 | C20 | 121.0° | 120.4° |
| C15 | C14 | H14B | 108.2° | 109.5° |
| C15 | C14 | H14A | 108.2° | 109.5° |
| C15 | C16 | C17 | 120.1° | 118.4° |
| C16 | C15 | C20 | 117.0° | 119.2° |
| C15 | C16 | H16 | 119.9° | 120.8° |
| C16 | C17 | C18 | 118.2° | 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 | 120.9° | 120.4° |
| C17 | C18 | H18 | 118.4° | 119.6° |
| C18 | N19 | C20 | 117.3° | 121.7° |
| N19 | C18 | H18 | 118.3° | 119.6° |
| N19 | C20 | C15 | 124.1° | 120.8° |
| N19 | C20 | H20 | 117.9° | 119.6° |
| C13 | N21 | C22 | 121.8° | 113.8° |
| N21 | C13 | H13 | 109.3° | 110.0° |
| C13 | N21 | H21 | 119.1° | 123.5° |
| N21 | C22 | O23 | 122.8° | 121.3° |
| N21 | C22 | C24 | 116.7° | 118.0° |
| C22 | N21 | H21 | 119.1° | 122.7° |
| O23 | C22 | C24 | 120.4° | 120.7° |
| C22 | C24 | N25 | 105.9° | 109.5° |
| C22 | C24 | C35 | 111.3° | 109.1° |
| C22 | C24 | H24 | 108.6° | 109.5° |
| C24 | N25 | C26 | 122.9° | 120.0° |
| N25 | C24 | C35 | 112.9° | 109.5° |
| N25 | C24 | H24 | 109.6° | 109.6° |
| C24 | N25 | H25 | 118.5° | 120.0° |
| N25 | C26 | O27 | 122.7° | 119.9° |
| N25 | C26 | C28 | 115.7° | 120.0° |
| C26 | N25 | H25 | 118.5° | 120.0° |
| O27 | C26 | C28 | 121.6° | 120.1° |
| C26 | C28 | C29 | 118.6° | 120.7° |
| C26 | C28 | C33 | 123.4° | 120.6° |
| C28 | C29 | N30 | 123.7° | 120.7° |
| C29 | C28 | C33 | 117.2° | 118.8° |
| C28 | C29 | H29 | 118.1° | 119.7° |
| C29 | N30 | C31 | 117.3° | 122.1° |
| N30 | C29 | H29 | 118.2° | 119.7° |
| N30 | C31 | C32 | 124.3° | 121.1° |
| N30 | C31 | H31 | 117.8° | 119.5° |
| C31 | C32 | C33 | 117.7° | 119.3° |
| C32 | C31 | H31 | 117.9° | 119.4° |
| C31 | C32 | H32 | 121.1° | 120.3° |
| C32 | C33 | O34 | 117.6° | 121.0° |
| C32 | C33 | C28 | 119.7° | 118.1° |
| C33 | C32 | H32 | 121.1° | 120.4° |
| O34 | C33 | C28 | 122.6° | 120.9° |
| C33 | O34 | H34 | 109.5° | 114.0° |
| C24 | C35 | C36 | 115.4° | 109.3° |
| C24 | C35 | O37 | 104.5° | 109.1° |
| C35 | C24 | H24 | 108.5° | 109.5° |
| C24 | C35 | H35 | 109.4° | 109.4° |
| C36 | C35 | O37 | 107.5° | 109.8° |
| C36 | C35 | H35 | 109.6° | 109.5° |
| C35 | C36 | H36B | 109.5° | 109.5° |
| C35 | C36 | H36A | 109.5° | 109.5° |
| C35 | C36 | H36C | 109.5° | 109.5° |
| C35 | O37 | C38 | 117.3° | 118.7° |
| O37 | C35 | H35 | 110.4° | 109.8° |
| O37 | C38 | O39 | 123.8° | 120.4° |
| O37 | C38 | C5 | 111.2° | 120.2° |
| O39 | C38 | C5 | 124.9° | 119.4° |
| C15 | C20 | H20 | 118.0° | 119.7° |
| H4B | C4 | H4C | 109.5° | 109.4° |
| H4B | C4 | H4A | 109.4° | 109.5° |
| H4C | C4 | H4A | 109.5° | 109.5° |
| H10C | C10 | H10A | 109.5° | 109.5° |
| H10C | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.4° | 109.5° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.4° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H14B | C14 | H14A | 109.5° | 109.4° |
| 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 | H2A | 120.1° | 120.0° |
| C1 | C2 | C3 | H2B | 120.1° | 120.0° |
| C1 | C2 | C3 | C4 | 89.5° | 85.0° |
| C1 | C2 | C3 | C5 | 89.5° | 95.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 119.9° |
| C1 | C2 | H2A | H2B | 119.6° | 120.1° |
| C2 | C3 | C4 | C5 | 179.0° | 180.0° |
| C2 | C3 | C5 | O6 | 2.6° | 5.6° |
| C2 | C3 | C5 | C38 | 173.9° | 176.9° |
| C2 | C3 | C4 | H4B | 180.0° | 5.4° |
| C2 | C3 | C4 | H4C | 60.0° | 114.6° |
| C2 | C3 | C4 | H4A | 60.0° | 125.4° |
| C3 | C2 | C1 | H1B | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 60.0° |
| C3 | C2 | C1 | H1C | 60.0° | 179.9° |
| C3 | C2 | H2A | H2B | 119.6° | 119.9° |
| C4 | C3 | C5 | O6 | 178.5° | 174.4° |
| C4 | C3 | C5 | C38 | 5.0° | 3.1° |
| C3 | C4 | H4B | H4C | 120.0° | 120.0° |
| C3 | C4 | H4B | H4A | 120.0° | 120.0° |
| C3 | C4 | H4C | H4A | 120.0° | 120.0° |
| C4 | C3 | C2 | H2A | 30.6° | 155.0° |
| C4 | C3 | C2 | H2B | 150.4° | 35.0° |
| C3 | C5 | O6 | C38 | 176.8° | 177.4° |
| C3 | C5 | O6 | C7 | 105.8° | 153.0° |
| C3 | C5 | C38 | O37 | 167.9° | 164.0° |
| C3 | C5 | C38 | O39 | 11.0° | 16.7° |
| C5 | C3 | C4 | H4B | 1.1° | 174.6° |
| C5 | C3 | C4 | H4C | 119.0° | 65.4° |
| C5 | C3 | C4 | H4A | 121.0° | 54.6° |
| C5 | C3 | C2 | H2A | 150.4° | 25.0° |
| C5 | C3 | C2 | H2B | 30.6° | 145.0° |
| C5 | O6 | C7 | O8 | 5.7° | 16.1° |
| C5 | O6 | C7 | C9 | 176.2° | 163.9° |
| O6 | C5 | C38 | O37 | 8.7° | 13.5° |
| O6 | C5 | C38 | O39 | 172.4° | 165.8° |
| O6 | C7 | O8 | C9 | 177.8° | 180.0° |
| O6 | C7 | C9 | C10 | 86.8° | 59.6° |
| O6 | C7 | C9 | C11 | 148.3° | 179.6° |
| C7 | O6 | C5 | C38 | 77.4° | 29.6° |
| O6 | C7 | C9 | H9 | 29.3° | 59.2° |
| O8 | C7 | C9 | C10 | 91.3° | 120.4° |
| O8 | C7 | C9 | C11 | 33.6° | 0.5° |
| O8 | C7 | C9 | H9 | 152.6° | 120.8° |
| C7 | C9 | C10 | C11 | 125.7° | 121.9° |
| C7 | C9 | C10 | H9 | 116.2° | 118.8° |
| C7 | C9 | C11 | H9 | 119.1° | 120.2° |
| C7 | C9 | C11 | O12 | 48.4° | 45.2° |
| C7 | C9 | C11 | C13 | 78.8° | 77.3° |
| C7 | C9 | C10 | H10C | 180.0° | 60.0° |
| 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 | 118.2° | 119.1° |
| C10 | C9 | C11 | O12 | 74.3° | 75.5° |
| C10 | C9 | C11 | C13 | 158.4° | 162.0° |
| C9 | C10 | H10C | H10A | 120.0° | 120.0° |
| C9 | C10 | H10C | H10B | 120.0° | 120.0° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C9 | C11 | H11 | 41.8° | 43.3° |
| C9 | C11 | O12 | C13 | 128.9° | 122.5° |
| C9 | C11 | O12 | H11 | 115.2° | 118.9° |
| C9 | C11 | C13 | H11 | 116.6° | 118.8° |
| C9 | C11 | C13 | C14 | 176.6° | 156.6° |
| C9 | C11 | C13 | N21 | 61.4° | 83.5° |
| C11 | C9 | C10 | H10C | 54.3° | 178.1° |
| C11 | C9 | C10 | H10A | 65.7° | 58.1° |
| C11 | C9 | C10 | H10B | 174.4° | 61.8° |
| C9 | C11 | C13 | H13 | 57.7° | 36.9° |
| C9 | C11 | O12 | H12 | 32.0° | 60.0° |
| O12 | C11 | C13 | H11 | 116.8° | 118.5° |
| O12 | C11 | C13 | C14 | 56.8° | 80.7° |
| O12 | C11 | C13 | N21 | 65.2° | 39.2° |
| O12 | C11 | C13 | H13 | 175.7° | 159.5° |
| O12 | C11 | C9 | H9 | 167.5° | 165.4° |
| C11 | C13 | C14 | N21 | 121.8° | 119.5° |
| C11 | C13 | C14 | H13 | 118.8° | 119.9° |
| C11 | C13 | C14 | C15 | 172.8° | 175.5° |
| C11 | C13 | N21 | H13 | 118.4° | 120.0° |
| C11 | C13 | N21 | C22 | 130.9° | 132.4° |
| C13 | C11 | C9 | H9 | 40.3° | 42.9° |
| C13 | C11 | O12 | H12 | 96.9° | 177.5° |
| C11 | C13 | C14 | H14B | 52.1° | 64.5° |
| C11 | C13 | C14 | H14A | 66.5° | 55.5° |
| C11 | C13 | N21 | H21 | 49.1° | 48.1° |
| C13 | C14 | C15 | H14B | 120.7° | 120.0° |
| C13 | C14 | C15 | H14A | 120.7° | 120.1° |
| C13 | C14 | C15 | C16 | 91.0° | 90.0° |
| C14 | C13 | N21 | H13 | 118.8° | 120.2° |
| C14 | C13 | N21 | C22 | 106.3° | 107.7° |
| C13 | C14 | C15 | C20 | 89.4° | 90.3° |
| C14 | C13 | C11 | H11 | 59.9° | 37.8° |
| C13 | C14 | H14B | H14A | 117.8° | 120.0° |
| C14 | C13 | N21 | H21 | 73.7° | 71.8° |
| C14 | C15 | C16 | C20 | 179.6° | 179.8° |
| C14 | C15 | C16 | C17 | 179.7° | 179.8° |
| C14 | C15 | C20 | N19 | 179.7° | 179.8° |
| C15 | C14 | C13 | N21 | 51.0° | 65.0° |
| C15 | C14 | C13 | H13 | 68.4° | 55.6° |
| C14 | C15 | C20 | H20 | 0.3° | 0.2° |
| C15 | C14 | H14B | H14A | 117.7° | 119.9° |
| C14 | C15 | C16 | H16 | 0.3° | 0.2° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | C15 | C20 | N19 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C20 | H20 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14B | 29.8° | 30.1° |
| C16 | C15 | C14 | H14A | 148.3° | 150.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | N19 | 0.0° | 0.0° |
| C17 | C16 | C15 | C20 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C18 | N19 | H18 | 180.0° | 179.9° |
| C17 | C18 | N19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C18 | N19 | C20 | C15 | 0.0° | 0.0° |
| N19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | N19 | C20 | H20 | 179.9° | 180.0° |
| N19 | C20 | C15 | H20 | 180.0° | 180.0° |
| C20 | N19 | C18 | H18 | 180.0° | 180.0° |
| C13 | N21 | C22 | H21 | 180.0° | 179.5° |
| C13 | N21 | C22 | O23 | 7.5° | 0.6° |
| C13 | N21 | C22 | C24 | 169.1° | 179.4° |
| N21 | C13 | C11 | H11 | 178.0° | 157.7° |
| N21 | C13 | C14 | H14B | 69.7° | 55.0° |
| N21 | C13 | C14 | H14A | 171.7° | 175.0° |
| N21 | C22 | O23 | C24 | 176.5° | 180.0° |
| N21 | C22 | C24 | N25 | 126.9° | 136.4° |
| N21 | C22 | C24 | C35 | 110.1° | 103.8° |
| C22 | N21 | C13 | H13 | 12.5° | 12.4° |
| N21 | C22 | C24 | H24 | 9.2° | 16.1° |
| O23 | C22 | C24 | N25 | 49.9° | 43.6° |
| O23 | C22 | C24 | C35 | 73.1° | 76.2° |
| O23 | C22 | C24 | H24 | 167.5° | 163.9° |
| O23 | C22 | N21 | H21 | 172.4° | 178.9° |
| C22 | C24 | N25 | C35 | 122.0° | 119.6° |
| C22 | C24 | N25 | H24 | 116.9° | 120.2° |
| C22 | C24 | N25 | C26 | 131.5° | 85.0° |
| C22 | C24 | C35 | H24 | 119.4° | 119.9° |
| C22 | C24 | C35 | C36 | 85.7° | 99.7° |
| C22 | C24 | C35 | O37 | 32.0° | 20.4° |
| C24 | C22 | N21 | H21 | 10.9° | 1.1° |
| C22 | C24 | N25 | H25 | 48.6° | 95.0° |
| C22 | C24 | C35 | H35 | 150.2° | 140.4° |
| C24 | N25 | C26 | H25 | 180.0° | 180.0° |
| C24 | N25 | C26 | O27 | 8.2° | 0.0° |
| C24 | N25 | C26 | C28 | 170.3° | 180.0° |
| N25 | C24 | C35 | H24 | 121.7° | 120.3° |
| N25 | C24 | C35 | C36 | 33.2° | 20.2° |
| N25 | C24 | C35 | O37 | 150.9° | 140.2° |
| N25 | C24 | C35 | H35 | 90.9° | 99.8° |
| N25 | C26 | O27 | C28 | 178.4° | 180.0° |
| N25 | C26 | C28 | C29 | 174.6° | 0.0° |
| C26 | N25 | C24 | C35 | 106.6° | 155.4° |
| N25 | C26 | C28 | C33 | 5.6° | 179.8° |
| C26 | N25 | C24 | H24 | 14.5° | 35.1° |
| O27 | C26 | C28 | C29 | 3.9° | 180.0° |
| O27 | C26 | C28 | C33 | 173.0° | 0.3° |
| O27 | C26 | N25 | H25 | 171.8° | 180.0° |
| C26 | C28 | C29 | C33 | 169.7° | 179.8° |
| C26 | C28 | C29 | N30 | 168.3° | 179.9° |
| C26 | C28 | C33 | C32 | 167.6° | 179.8° |
| C26 | C28 | C33 | O34 | 15.4° | 0.3° |
| C28 | C26 | N25 | H25 | 9.7° | 0.0° |
| C26 | C28 | C29 | H29 | 11.7° | 0.0° |
| C28 | C29 | N30 | H29 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 0.7° | 0.1° |
| C29 | C28 | C33 | C32 | 1.6° | 0.5° |
| C29 | C28 | C33 | O34 | 175.4° | 180.0° |
| C29 | N30 | C31 | C32 | 0.2° | 0.0° |
| N30 | C29 | C28 | C33 | 1.5° | 0.2° |
| C29 | N30 | C31 | H31 | 179.8° | 179.9° |
| N30 | C31 | C32 | H31 | 180.0° | 180.0° |
| N30 | C31 | C32 | C33 | 0.4° | 0.3° |
| C31 | N30 | C29 | H29 | 179.2° | 180.0° |
| N30 | C31 | C32 | H32 | 179.6° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.7° |
| C31 | C32 | C33 | O34 | 176.0° | 180.0° |
| C31 | C32 | C33 | C28 | 1.1° | 0.5° |
| C32 | C33 | O34 | C28 | 177.1° | 179.5° |
| C33 | C32 | C31 | H31 | 179.6° | 179.8° |
| C32 | C33 | O34 | H34 | 180.0° | 90.0° |
| O34 | C33 | C32 | H32 | 3.9° | 0.3° |
| C24 | C35 | C36 | O37 | 116.0° | 119.6° |
| C24 | C35 | C36 | H35 | 124.0° | 119.8° |
| C24 | C35 | O37 | H35 | 117.5° | 119.8° |
| C24 | C35 | O37 | C38 | 136.8° | 153.2° |
| C35 | C24 | N25 | H25 | 73.4° | 24.6° |
| 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 | 119.5° | 120.4° |
| C36 | C35 | O37 | C38 | 100.2° | 87.1° |
| C36 | C35 | C24 | H24 | 154.9° | 140.5° |
| C35 | C36 | H36B | H36A | 120.0° | 120.0° |
| C35 | C36 | H36B | H36C | 120.0° | 120.0° |
| C35 | C36 | H36A | H36C | 120.0° | 120.0° |
| C35 | O37 | C38 | O39 | 3.5° | 3.0° |
| C35 | O37 | C38 | C5 | 177.6° | 176.3° |
| O37 | C35 | C24 | H24 | 87.4° | 99.5° |
| O37 | C35 | C36 | H36B | 64.0° | 59.6° |
| O37 | C35 | C36 | H36A | 176.0° | 60.4° |
| O37 | C35 | C36 | H36C | 56.1° | 179.6° |
| O37 | C38 | O39 | C5 | 178.8° | 179.3° |
| C38 | O37 | C35 | H35 | 19.3° | 33.4° |
| C20 | C15 | C14 | H14B | 149.9° | 149.7° |
| C20 | C15 | C14 | H14A | 31.3° | 29.8° |
| C20 | C15 | C16 | H16 | 180.0° | 180.0° |
| C33 | C28 | C29 | H29 | 178.5° | 179.8° |
| C28 | C33 | C32 | H32 | 178.9° | 179.8° |
| C28 | C33 | O34 | H34 | 2.9° | 90.6° |
| H4B | C4 | H4C | H4A | 120.0° | 120.0° |
| H10C | C10 | H10A | H10B | 120.0° | 120.1° |
| H10C | C10 | C9 | H9 | 63.8° | 58.8° |
| H10A | C10 | C9 | H9 | 176.2° | 61.2° |
| H10B | C10 | C9 | H9 | 56.3° | 178.8° |
| H13 | C13 | C11 | H11 | 58.9° | 81.9° |
| H13 | C13 | C14 | H14B | 170.9° | 175.6° |
| H13 | C13 | C14 | H14A | 52.3° | 64.4° |
| H13 | C13 | N21 | H21 | 167.5° | 168.1° |
| H17 | C17 | C16 | H16 | 0.0° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| H24 | C24 | N25 | H25 | 165.5° | 144.9° |
| H24 | C24 | C35 | H35 | 30.8° | 20.5° |
| H1B | C1 | H1A | H1C | 120.0° | 120.1° |
| H1B | C1 | C2 | H2A | 59.9° | 60.0° |
| H1B | C1 | C2 | H2B | 59.8° | 179.9° |
| H1A | C1 | C2 | H2A | 60.1° | 180.0° |
| H1A | C1 | C2 | H2B | 179.9° | 59.9° |
| H1C | C1 | C2 | H2A | 179.8° | 60.1° |
| H1C | C1 | C2 | H2B | 60.1° | 60.0° |
| H9 | C9 | C11 | H11 | 76.4° | 75.8° |
| H11 | C11 | O12 | H12 | 147.2° | 58.9° |
| H31 | C31 | C32 | H32 | 0.4° | 0.1° |
| H35 | C35 | C36 | H36B | 56.0° | 179.9° |
| H35 | C35 | C36 | H36A | 64.0° | 60.1° |
| H35 | C35 | C36 | H36C | 176.0° | 59.9° |
| H36B | C36 | H36A | H36C | 120.0° | 120.0° |
