A1JG2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| 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 | 1.38Å | |
| C7 | O8 | doub | 1.21Å | 1.20Å | |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| 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 | 1.38Å | 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 | 1.33Å | |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| C26 | C28 | sing | 1.48Å | 1.48Å | |
| C28 | N29 | doub | 1.31Å | 1.36Å | Aromatic |
| N29 | S30 | sing | 1.56Å | 1.61Å | Aromatic |
| S30 | N31 | sing | 1.69Å | 1.59Å | Aromatic |
| N31 | C32 | doub | 1.31Å | 1.28Å | Aromatic |
| C32 | O33 | sing | 1.36Å | 1.33Å | |
| C24 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | O36 | sing | 1.45Å | 1.46Å | |
| O36 | C37 | sing | 1.34Å | 1.34Å | |
| C37 | O38 | doub | 1.22Å | 1.21Å | |
| C37 | C5 | sing | 1.48Å | 1.48Å | |
| C20 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C28 | sing | 1.39Å | 1.48Å | 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 | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.3° | 109.4° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C1 | C2 | H2B | 109.0° | 109.4° |
| C1 | C2 | H2A | 109.0° | 109.5° |
| C2 | C3 | C4 | 115.1° | 120.0° |
| C2 | C3 | C5 | 121.7° | 120.0° |
| C3 | C2 | H2B | 109.0° | 109.5° |
| C3 | C2 | H2A | 109.0° | 109.5° |
| C4 | C3 | C5 | 123.2° | 120.0° |
| C3 | C4 | H4C | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C5 | O6 | 120.0° | 119.9° |
| C3 | C5 | C37 | 125.1° | 118.8° |
| C5 | O6 | C7 | 115.0° | 120.5° |
| O6 | C5 | C37 | 114.9° | 121.3° |
| O6 | C7 | O8 | 122.9° | 120.1° |
| O6 | C7 | C9 | 110.8° | 119.5° |
| O8 | C7 | C9 | 126.3° | 120.4° |
| C7 | C9 | C10 | 108.9° | 109.2° |
| C7 | C9 | C11 | 112.0° | 111.2° |
| C7 | C9 | H9 | 108.0° | 109.0° |
| C10 | C9 | C11 | 112.2° | 109.4° |
| C9 | C10 | H10C | 109.5° | 109.4° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C10 | C9 | H9 | 107.8° | 108.8° |
| C9 | C11 | O12 | 110.4° | 110.7° |
| C9 | C11 | C13 | 114.2° | 110.3° |
| C11 | C9 | H9 | 107.7° | 109.3° |
| C9 | C11 | H11 | 106.0° | 108.6° |
| O12 | C11 | C13 | 112.1° | 110.3° |
| O12 | C11 | H11 | 107.4° | 108.4° |
| C11 | O12 | H12 | 109.5° | 114.0° |
| C11 | C13 | C14 | 111.0° | 109.4° |
| C11 | C13 | N21 | 114.3° | 109.1° |
| C11 | C13 | H13 | 106.9° | 109.5° |
| C13 | C11 | H11 | 106.2° | 108.4° |
| C13 | C14 | C15 | 114.0° | 109.5° |
| C14 | C13 | N21 | 109.9° | 109.5° |
| C14 | C13 | H13 | 106.7° | 109.2° |
| C13 | C14 | H14A | 108.3° | 109.5° |
| C13 | C14 | H14B | 108.3° | 109.5° |
| C14 | C15 | C16 | 121.9° | 120.4° |
| C14 | C15 | C20 | 121.1° | 120.4° |
| C15 | C14 | H14A | 108.3° | 109.5° |
| C15 | C14 | H14B | 108.3° | 109.4° |
| 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 | 123.2° | 120.8° |
| C18 | C17 | H17 | 120.9° | 120.5° |
| C17 | C18 | H18 | 118.4° | 119.6° |
| C18 | N19 | C20 | 117.3° | 121.8° |
| N19 | C18 | H18 | 118.4° | 119.6° |
| N19 | C20 | C15 | 124.1° | 120.7° |
| N19 | C20 | H20 | 118.0° | 119.6° |
| C13 | N21 | C22 | 122.2° | 113.8° |
| N21 | C13 | H13 | 107.6° | 110.1° |
| C13 | N21 | H21 | 118.9° | 123.5° |
| N21 | C22 | O23 | 122.9° | 121.3° |
| N21 | C22 | C24 | 116.2° | 118.0° |
| C22 | N21 | H21 | 118.9° | 122.7° |
| O23 | C22 | C24 | 120.7° | 120.7° |
| C22 | C24 | N25 | 107.1° | 109.5° |
| C22 | C24 | C34 | 111.9° | 109.2° |
| C22 | C24 | H24 | 107.7° | 109.5° |
| C24 | N25 | C26 | 122.7° | 120.0° |
| N25 | C24 | C34 | 113.5° | 109.5° |
| N25 | C24 | H24 | 108.7° | 109.6° |
| C24 | N25 | H25 | 118.6° | 120.0° |
| N25 | C26 | O27 | 124.0° | 120.1° |
| N25 | C26 | C28 | 113.8° | 120.0° |
| C26 | N25 | H25 | 118.6° | 120.0° |
| O27 | C26 | C28 | 122.3° | 120.0° |
| C26 | C28 | N29 | 123.1° | 122.6° |
| C26 | C28 | C32 | 127.6° | 122.5° |
| C28 | N29 | S30 | 107.5° | 108.9° |
| N29 | C28 | C32 | 109.1° | 114.9° |
| N29 | S30 | N31 | 100.7° | 97.4° |
| S30 | N31 | C32 | 108.0° | 106.3° |
| N31 | C32 | O33 | 121.5° | 123.7° |
| N31 | C32 | C28 | 114.7° | 112.5° |
| O33 | C32 | C28 | 123.8° | 123.8° |
| C32 | O33 | H33 | 109.5° | 114.1° |
| C24 | C34 | C35 | 115.0° | 109.3° |
| C24 | C34 | O36 | 104.9° | 109.0° |
| C34 | C24 | H24 | 107.7° | 109.5° |
| C24 | C34 | H34 | 109.3° | 109.4° |
| C35 | C34 | O36 | 107.8° | 109.8° |
| C35 | C34 | H34 | 109.5° | 109.5° |
| C34 | C35 | H35B | 109.5° | 109.4° |
| C34 | C35 | H35A | 109.5° | 109.4° |
| C34 | C35 | H35C | 109.5° | 109.4° |
| C34 | O36 | C37 | 117.6° | 118.7° |
| O36 | C34 | H34 | 110.2° | 109.8° |
| O36 | C37 | O38 | 124.0° | 120.4° |
| O36 | C37 | C5 | 111.0° | 120.3° |
| O38 | C37 | C5 | 125.0° | 119.3° |
| C15 | C20 | H20 | 117.9° | 119.6° |
| H4C | C4 | H4B | 109.5° | 109.5° |
| H4C | C4 | H4A | 109.4° | 109.4° |
| H4B | C4 | H4A | 109.4° | 109.5° |
| H10C | C10 | H10B | 109.5° | 109.5° |
| H10C | C10 | H10A | 109.5° | 109.5° |
| H10B | C10 | H10A | 109.4° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.4° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | H1A | 109.4° | 109.4° |
| H2B | C2 | H2A | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H35B | C35 | H35A | 109.5° | 109.5° |
| H35B | C35 | H35C | 109.4° | 109.5° |
| H35A | C35 | H35C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2B | 120.3° | 119.9° |
| C1 | C2 | C3 | H2A | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 85.0° | 85.0° |
| C1 | C2 | C3 | C5 | 93.1° | 95.1° |
| 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 | 119.2° | 120.0° |
| C2 | C3 | C4 | C5 | 178.1° | 179.9° |
| C2 | C3 | C5 | O6 | 34.5° | 5.5° |
| C2 | C3 | C5 | C37 | 142.4° | 177.0° |
| C2 | C3 | C4 | H4C | 180.0° | 5.4° |
| C2 | C3 | C4 | H4B | 60.0° | 114.7° |
| C2 | C3 | C4 | H4A | 60.0° | 125.3° |
| C3 | C2 | C1 | H1C | 180.0° | 60.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | H2B | H2A | 119.2° | 120.1° |
| C4 | C3 | C5 | O6 | 143.4° | 174.4° |
| C4 | C3 | C5 | C37 | 39.7° | 3.1° |
| 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 | 154.8° | 155.0° |
| C4 | C3 | C2 | H2A | 35.3° | 35.0° |
| C3 | C5 | O6 | C37 | 177.2° | 177.5° |
| C3 | C5 | O6 | C7 | 95.2° | 153.0° |
| C3 | C5 | C37 | O36 | 164.3° | 164.0° |
| C3 | C5 | C37 | O38 | 15.7° | 16.6° |
| C5 | C3 | C4 | H4C | 1.9° | 174.5° |
| C5 | C3 | C4 | H4B | 122.0° | 65.4° |
| C5 | C3 | C4 | H4A | 118.1° | 54.6° |
| C5 | C3 | C2 | H2B | 27.1° | 24.9° |
| C5 | C3 | C2 | H2A | 146.6° | 145.0° |
| C5 | O6 | C7 | O8 | 0.6° | 16.2° |
| C5 | O6 | C7 | C9 | 179.6° | 163.8° |
| O6 | C5 | C37 | O36 | 12.7° | 13.5° |
| O6 | C5 | C37 | O38 | 167.3° | 165.8° |
| O6 | C7 | O8 | C9 | 178.9° | 179.9° |
| O6 | C7 | C9 | C10 | 91.9° | 59.5° |
| O6 | C7 | C9 | C11 | 143.3° | 179.7° |
| C7 | O6 | C5 | C37 | 87.7° | 29.5° |
| O6 | C7 | C9 | H9 | 24.9° | 59.2° |
| O8 | C7 | C9 | C10 | 89.1° | 120.4° |
| O8 | C7 | C9 | C11 | 35.7° | 0.4° |
| O8 | C7 | C9 | H9 | 154.1° | 120.9° |
| C7 | C9 | C10 | C11 | 124.6° | 121.9° |
| C7 | C9 | C10 | H9 | 116.9° | 118.8° |
| C7 | C9 | C11 | H9 | 118.6° | 120.3° |
| C7 | C9 | C11 | O12 | 50.5° | 45.1° |
| C7 | C9 | C11 | C13 | 76.9° | 77.3° |
| C7 | C9 | C10 | H10C | 180.0° | 60.0° |
| C7 | C9 | C10 | H10B | 60.0° | 180.0° |
| C7 | C9 | C10 | H10A | 60.0° | 60.0° |
| C7 | C9 | C11 | H11 | 166.5° | 164.0° |
| C10 | C9 | C11 | H9 | 118.5° | 119.0° |
| C10 | C9 | C11 | O12 | 72.4° | 75.6° |
| C10 | C9 | C11 | C13 | 160.2° | 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 | 43.6° | 43.3° |
| C9 | C11 | O12 | C13 | 128.6° | 122.3° |
| C9 | C11 | O12 | H11 | 115.1° | 119.1° |
| C9 | C11 | C13 | H11 | 116.5° | 118.8° |
| C9 | C11 | C13 | C14 | 174.6° | 156.7° |
| C9 | C11 | C13 | N21 | 60.5° | 83.5° |
| C11 | C9 | C10 | H10C | 55.3° | 178.1° |
| C11 | C9 | C10 | H10B | 64.7° | 58.1° |
| C11 | C9 | C10 | H10A | 175.4° | 61.9° |
| C9 | C11 | C13 | H13 | 58.5° | 37.0° |
| C9 | C11 | O12 | H12 | 33.4° | 60.0° |
| O12 | C11 | C13 | H11 | 117.0° | 118.6° |
| O12 | C11 | C13 | C14 | 58.9° | 80.7° |
| O12 | C11 | C13 | N21 | 66.0° | 39.1° |
| O12 | C11 | C13 | H13 | 174.9° | 159.6° |
| O12 | C11 | C9 | H9 | 169.1° | 165.4° |
| C11 | C13 | C14 | N21 | 127.4° | 119.5° |
| C11 | C13 | C14 | H13 | 116.2° | 119.8° |
| C11 | C13 | C14 | C15 | 178.8° | 175.5° |
| C11 | C13 | N21 | H13 | 118.6° | 120.1° |
| C11 | C13 | N21 | C22 | 125.0° | 132.5° |
| C13 | C11 | C9 | H9 | 41.7° | 43.0° |
| C13 | C11 | O12 | H12 | 95.2° | 177.6° |
| C11 | C13 | C14 | H14A | 58.1° | 64.5° |
| C11 | C13 | C14 | H14B | 60.6° | 55.5° |
| C11 | C13 | N21 | H21 | 55.0° | 47.9° |
| C13 | C14 | C15 | H14A | 120.7° | 120.0° |
| C13 | C14 | C15 | H14B | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 101.7° | 90.0° |
| C14 | C13 | N21 | H13 | 115.9° | 120.1° |
| C14 | C13 | N21 | C22 | 109.5° | 107.8° |
| C13 | C14 | C15 | C20 | 77.7° | 90.2° |
| C14 | C13 | C11 | H11 | 58.1° | 37.9° |
| C13 | C14 | H14A | H14B | 117.9° | 120.0° |
| C14 | C13 | N21 | H21 | 70.5° | 71.8° |
| C14 | C15 | C16 | C20 | 179.5° | 179.8° |
| C14 | C15 | C16 | C17 | 179.4° | 179.8° |
| C14 | C15 | C20 | N19 | 179.5° | 179.8° |
| C15 | C14 | C13 | N21 | 51.4° | 65.0° |
| C15 | C14 | C13 | H13 | 65.0° | 55.6° |
| C14 | C15 | C20 | H20 | 0.5° | 0.2° |
| C15 | C14 | H14A | H14B | 117.9° | 119.9° |
| C14 | C15 | C16 | H16 | 0.6° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C16 | C15 | C20 | N19 | 0.0° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C20 | H20 | 180.0° | 180.0° |
| C16 | C15 | C14 | H14A | 18.9° | 30.0° |
| C16 | C15 | C14 | H14B | 137.6° | 150.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | N19 | 0.0° | 0.1° |
| C17 | C16 | C15 | C20 | 0.0° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C18 | N19 | H18 | 180.0° | 179.9° |
| C17 | C18 | N19 | C20 | 0.0° | 0.1° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C18 | N19 | C20 | C15 | 0.0° | 0.1° |
| N19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | N19 | C20 | H20 | 180.0° | 179.9° |
| N19 | C20 | C15 | H20 | 180.0° | 180.0° |
| C20 | N19 | C18 | H18 | 180.0° | 180.0° |
| C13 | N21 | C22 | H21 | 180.0° | 179.6° |
| C13 | N21 | C22 | O23 | 6.4° | 0.7° |
| C13 | N21 | C22 | C24 | 170.0° | 179.4° |
| N21 | C13 | C11 | H11 | 177.0° | 157.7° |
| N21 | C13 | C14 | H14A | 69.3° | 55.0° |
| N21 | C13 | C14 | H14B | 172.1° | 175.0° |
| N21 | C22 | O23 | C24 | 176.2° | 180.0° |
| N21 | C22 | C24 | N25 | 119.4° | 136.4° |
| N21 | C22 | C24 | C34 | 115.6° | 103.7° |
| C22 | N21 | C13 | H13 | 6.4° | 12.3° |
| N21 | C22 | C24 | H24 | 2.6° | 16.1° |
| O23 | C22 | C24 | N25 | 57.0° | 43.6° |
| O23 | C22 | C24 | C34 | 68.0° | 76.3° |
| O23 | C22 | C24 | H24 | 173.9° | 163.9° |
| O23 | C22 | N21 | H21 | 173.7° | 178.9° |
| C22 | C24 | N25 | C34 | 124.0° | 119.7° |
| C22 | C24 | N25 | H24 | 116.2° | 120.2° |
| C22 | C24 | N25 | C26 | 125.4° | 85.0° |
| C22 | C24 | C34 | H24 | 118.2° | 119.9° |
| C22 | C24 | C34 | C35 | 88.7° | 99.7° |
| C22 | C24 | C34 | O36 | 29.5° | 20.3° |
| C24 | C22 | N21 | H21 | 10.0° | 1.1° |
| C22 | C24 | N25 | H25 | 54.6° | 95.0° |
| C22 | C24 | C34 | H34 | 147.7° | 140.4° |
| C24 | N25 | C26 | H25 | 180.0° | 180.0° |
| C24 | N25 | C26 | O27 | 10.3° | 0.0° |
| C24 | N25 | C26 | C28 | 170.4° | 180.0° |
| N25 | C24 | C34 | H24 | 120.4° | 120.2° |
| N25 | C24 | C34 | C35 | 32.6° | 20.2° |
| N25 | C24 | C34 | O36 | 150.9° | 140.2° |
| N25 | C24 | C34 | H34 | 91.0° | 99.7° |
| N25 | C26 | O27 | C28 | 179.2° | 180.0° |
| N25 | C26 | C28 | N29 | 173.7° | 0.1° |
| C26 | N25 | C24 | C34 | 110.6° | 155.3° |
| N25 | C26 | C28 | C32 | 0.3° | 179.7° |
| C26 | N25 | C24 | H24 | 9.2° | 35.2° |
| O27 | C26 | C28 | N29 | 7.0° | 180.0° |
| O27 | C26 | C28 | C32 | 179.0° | 0.3° |
| O27 | C26 | N25 | H25 | 169.6° | 180.0° |
| C26 | C28 | N29 | C32 | 175.0° | 179.7° |
| C26 | C28 | N29 | S30 | 174.9° | 180.0° |
| C26 | C28 | C32 | N31 | 174.6° | 179.8° |
| C26 | C28 | C32 | O33 | 5.9° | 0.2° |
| C28 | C26 | N25 | H25 | 9.6° | 0.0° |
| C28 | N29 | S30 | N31 | 0.1° | 0.0° |
| N29 | C28 | C32 | N31 | 0.1° | 0.5° |
| N29 | C28 | C32 | O33 | 179.4° | 179.9° |
| N29 | S30 | N31 | C32 | 0.0° | 0.3° |
| S30 | N29 | C28 | C32 | 0.1° | 0.3° |
| S30 | N31 | C32 | O33 | 179.4° | 180.0° |
| S30 | N31 | C32 | C28 | 0.1° | 0.5° |
| N31 | C32 | O33 | C28 | 179.5° | 179.5° |
| N31 | C32 | O33 | H33 | 0.0° | 90.0° |
| C24 | C34 | C35 | O36 | 116.6° | 119.5° |
| C24 | C34 | C35 | H34 | 123.5° | 119.8° |
| C24 | C34 | O36 | H34 | 117.5° | 119.8° |
| C24 | C34 | O36 | C37 | 124.7° | 153.2° |
| C34 | C24 | N25 | H25 | 69.4° | 24.7° |
| C24 | C34 | C35 | H35B | 180.0° | 60.0° |
| C24 | C34 | C35 | H35A | 60.0° | 180.0° |
| C24 | C34 | C35 | H35C | 60.0° | 60.0° |
| C35 | C34 | O36 | H34 | 119.5° | 120.4° |
| C35 | C34 | O36 | C37 | 112.2° | 87.0° |
| C35 | C34 | C24 | H24 | 153.0° | 140.4° |
| C34 | C35 | H35B | H35A | 120.0° | 120.0° |
| C34 | C35 | H35B | H35C | 120.0° | 119.9° |
| C34 | C35 | H35A | H35C | 120.0° | 120.0° |
| C34 | O36 | C37 | O38 | 9.0° | 3.0° |
| C34 | O36 | C37 | C5 | 171.0° | 176.3° |
| O36 | C34 | C24 | H24 | 88.7° | 99.6° |
| O36 | C34 | C35 | H35B | 63.4° | 59.6° |
| O36 | C34 | C35 | H35A | 176.6° | 60.4° |
| O36 | C34 | C35 | H35C | 56.6° | 179.5° |
| O36 | C37 | O38 | C5 | 180.0° | 179.3° |
| C37 | O36 | C34 | H34 | 7.2° | 33.4° |
| C20 | C15 | C14 | H14A | 161.6° | 149.7° |
| C20 | C15 | C14 | H14B | 42.9° | 29.8° |
| C20 | C15 | C16 | H16 | 180.0° | 180.0° |
| C28 | C32 | O33 | H33 | 179.4° | 90.6° |
| H4C | C4 | H4B | H4A | 120.0° | 120.0° |
| H10C | C10 | H10B | H10A | 120.0° | 120.0° |
| H10C | C10 | C9 | H9 | 63.1° | 58.8° |
| H10B | C10 | C9 | H9 | 176.9° | 61.2° |
| H10A | C10 | C9 | H9 | 56.9° | 178.8° |
| H13 | C13 | C11 | H11 | 58.0° | 81.8° |
| H13 | C13 | C14 | H14A | 174.3° | 175.6° |
| H13 | C13 | C14 | H14B | 55.6° | 64.3° |
| H13 | C13 | N21 | H21 | 173.6° | 168.1° |
| H17 | C17 | C16 | H16 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| H24 | C24 | N25 | H25 | 170.8° | 144.8° |
| H24 | C24 | C34 | H34 | 29.4° | 20.5° |
| H1C | C1 | H1B | H1A | 120.0° | 120.0° |
| H1C | C1 | C2 | H2B | 59.7° | 60.0° |
| H1C | C1 | C2 | H2A | 59.7° | 180.0° |
| H1B | C1 | C2 | H2B | 60.3° | 180.0° |
| H1B | C1 | C2 | H2A | 179.7° | 60.0° |
| H1A | C1 | C2 | H2B | 179.7° | 60.1° |
| H1A | C1 | C2 | H2A | 60.3° | 60.0° |
| H9 | C9 | C11 | H11 | 75.0° | 75.7° |
| H11 | C11 | O12 | H12 | 148.5° | 59.0° |
| H34 | C34 | C35 | H35B | 56.5° | 179.8° |
| H34 | C34 | C35 | H35A | 63.5° | 60.2° |
| H34 | C34 | C35 | H35C | 176.5° | 59.8° |
| H35B | C35 | H35A | H35C | 119.9° | 120.1° |
