315
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | C33 | sing | 1.53Å | 1.62Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.51Å | 1.58Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.35Å | 1.37Å | |
| N4 | C14 | sing | 1.47Å | 1.47Å | |
| N4 | C11 | sing | 1.47Å | 1.45Å | |
| O5 | C3 | doub | 1.21Å | 1.24Å | |
| N6 | C2 | sing | 1.47Å | 1.17Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| N6 | HN6A | sing | 1.01Å | 1.00Å | |
| C8 | C1 | sing | 1.53Å | 1.56Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.54Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | F21 | sing | 1.40Å | 1.38Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.55Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C23 | C8 | sing | 1.53Å | 1.56Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | C23 | sing | 1.53Å | 1.50Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C23 | sing | 1.53Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C33 | N35 | sing | 1.48Å | 1.32Å | |
| C33 | O38 | sing | 1.45Å | 1.34Å | |
| N35 | C36 | sing | 1.48Å | 1.35Å | |
| C36 | N37 | sing | 1.48Å | 1.36Å | |
| C36 | C39 | sing | 1.51Å | 1.49Å | |
| O38 | N37 | sing | 1.48Å | 1.33Å | |
| C39 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C44 | sing | 1.38Å | 1.46Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | S49 | sing | 1.76Å | 1.78Å | |
| C43 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| F48 | C44 | sing | 1.35Å | 1.34Å | |
| S49 | O51 | doub | 1.42Å | 1.45Å | |
| S49 | O50 | doub | 1.42Å | 1.43Å | |
| C52 | S49 | sing | 1.81Å | 1.80Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C52 | H52B | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| N35 | H261 | sing | 1.01Å | 1.00Å | |
| C36 | H271 | sing | 1.09Å | 1.10Å | |
| N37 | H28 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C33 | 111.5° | 109.4° |
| C2 | C1 | H1 | 105.1° | 109.5° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | H2 | 111.1° | 109.5° |
| C1 | C2 | N6 | 107.7° | 109.5° |
| C2 | C1 | C8 | 113.2° | 109.4° |
| C33 | C1 | H1 | 110.2° | 109.5° |
| C33 | C1 | C8 | 108.3° | 109.5° |
| C1 | C33 | N35 | 126.8° | 110.4° |
| C1 | C33 | O38 | 115.3° | 110.3° |
| C1 | C33 | H25 | 76.1° | 110.3° |
| H1 | C1 | C8 | 108.5° | 109.5° |
| C3 | C2 | H2 | 106.3° | 109.5° |
| C2 | C3 | N4 | 118.6° | 120.0° |
| C2 | C3 | O5 | 118.2° | 120.0° |
| C3 | C2 | N6 | 112.3° | 109.5° |
| H2 | C2 | N6 | 109.1° | 109.4° |
| C3 | N4 | C14 | 121.3° | 125.6° |
| C3 | N4 | C11 | 127.4° | 125.6° |
| N4 | C3 | O5 | 123.2° | 120.0° |
| C14 | N4 | C11 | 111.3° | 108.7° |
| N4 | C14 | C13 | 103.9° | 104.9° |
| N4 | C14 | H14 | 111.4° | 110.4° |
| N4 | C14 | H14A | 112.6° | 110.4° |
| N4 | C11 | C12 | 104.8° | 107.3° |
| N4 | C11 | H11 | 111.1° | 109.9° |
| N4 | C11 | H11A | 112.1° | 109.9° |
| C2 | N6 | HN6 | 109.5° | 111.0° |
| C2 | N6 | HN6A | 109.5° | 111.0° |
| HN6 | N6 | HN6A | 109.4° | 111.0° |
| C1 | C8 | H8 | 108.0° | 109.5° |
| C1 | C8 | H8A | 107.0° | 109.4° |
| C1 | C8 | C23 | 114.0° | 109.4° |
| H8 | C8 | H8A | 113.1° | 109.5° |
| H8 | C8 | C23 | 108.0° | 109.5° |
| H8A | C8 | C23 | 106.9° | 109.5° |
| C12 | C11 | H11 | 111.1° | 109.9° |
| C12 | C11 | H11A | 112.1° | 109.9° |
| C11 | C12 | F21 | 109.4° | 110.7° |
| C11 | C12 | H12 | 112.5° | 110.7° |
| C11 | C12 | C13 | 104.1° | 102.9° |
| H11 | C11 | H11A | 105.9° | 110.1° |
| F21 | C12 | H12 | 108.9° | 110.6° |
| F21 | C12 | C13 | 107.9° | 110.7° |
| H12 | C12 | C13 | 113.8° | 110.9° |
| C12 | C13 | H13 | 110.6° | 111.0° |
| C12 | C13 | H13A | 111.3° | 111.0° |
| C12 | C13 | C14 | 106.2° | 101.7° |
| H13 | C13 | H13A | 107.0° | 110.9° |
| H13 | C13 | C14 | 110.6° | 111.2° |
| H13A | C13 | C14 | 111.3° | 110.9° |
| C13 | C14 | H14 | 111.4° | 110.4° |
| C13 | C14 | H14A | 112.5° | 110.2° |
| H14 | C14 | H14A | 105.3° | 110.4° |
| C8 | C23 | H23 | 97.3° | 115.6° |
| C8 | C23 | C26 | 106.3° | 117.5° |
| C8 | C23 | C27 | 121.7° | 117.5° |
| H23 | C23 | C26 | 141.1° | 117.5° |
| H23 | C23 | C27 | 128.2° | 117.5° |
| C23 | C26 | H26 | 132.9° | 117.5° |
| C23 | C26 | H26A | 137.8° | 117.5° |
| C26 | C23 | C27 | 62.2° | 60.1° |
| C23 | C26 | C27 | 56.5° | 60.0° |
| H26 | C26 | H26A | 72.0° | 115.5° |
| H26 | C26 | C27 | 132.9° | 117.5° |
| H26A | C26 | C27 | 137.8° | 117.5° |
| C23 | C27 | C26 | 61.2° | 60.0° |
| C23 | C27 | H27 | 130.2° | 117.5° |
| C23 | C27 | H27A | 135.4° | 117.5° |
| C26 | C27 | H27 | 130.2° | 117.5° |
| C26 | C27 | H27A | 135.3° | 117.5° |
| H27 | C27 | H27A | 75.7° | 115.6° |
| N35 | C33 | O38 | 118.0° | 104.8° |
| C33 | N35 | C36 | 100.0° | 106.3° |
| N35 | C33 | H25 | 50.9° | 110.4° |
| C33 | N35 | H261 | 112.8° | 111.0° |
| C33 | O38 | N37 | 101.9° | 103.4° |
| O38 | C33 | H25 | 168.0° | 110.5° |
| N35 | C36 | N37 | 111.5° | 105.8° |
| N35 | C36 | C39 | 126.3° | 110.2° |
| C36 | N35 | H261 | 112.8° | 111.0° |
| N35 | C36 | H271 | 108.1° | 110.2° |
| N37 | C36 | C39 | 122.2° | 110.2° |
| C36 | N37 | O38 | 108.7° | 104.2° |
| N37 | C36 | H271 | 139.4° | 110.2° |
| C36 | N37 | H28 | 109.7° | 111.0° |
| C36 | C39 | C40 | 116.6° | 120.0° |
| C36 | C39 | C44 | 125.9° | 120.0° |
| C39 | C36 | H271 | 20.4° | 110.2° |
| O38 | N37 | H28 | 109.7° | 111.0° |
| C40 | C39 | C44 | 117.5° | 120.0° |
| C39 | C40 | C41 | 121.1° | 120.1° |
| C39 | C40 | H40 | 119.4° | 120.0° |
| C39 | C44 | C43 | 121.3° | 119.9° |
| C39 | C44 | F48 | 123.9° | 120.1° |
| C41 | C40 | H40 | 119.4° | 119.9° |
| C40 | C41 | C42 | 120.3° | 120.0° |
| C40 | C41 | H41 | 119.9° | 120.0° |
| C42 | C41 | H41 | 119.8° | 119.9° |
| C41 | C42 | S49 | 120.3° | 120.0° |
| C41 | C42 | C43 | 120.4° | 120.0° |
| S49 | C42 | C43 | 119.2° | 120.0° |
| C42 | S49 | O51 | 106.6° | 104.3° |
| C42 | S49 | O50 | 107.4° | 104.3° |
| C42 | S49 | C52 | 103.7° | 104.5° |
| C42 | C43 | H43 | 120.3° | 120.0° |
| C42 | C43 | C44 | 119.3° | 120.0° |
| H43 | C43 | C44 | 120.4° | 120.0° |
| C43 | C44 | F48 | 114.8° | 120.0° |
| O51 | S49 | O50 | 116.9° | 121.0° |
| O51 | S49 | C52 | 110.4° | 110.5° |
| O50 | S49 | C52 | 111.0° | 110.6° |
| S49 | C52 | H52 | 109.5° | 109.5° |
| S49 | C52 | H52A | 109.5° | 109.4° |
| S49 | C52 | H52B | 109.5° | 109.5° |
| H52 | C52 | H52A | 109.5° | 109.5° |
| H52 | C52 | H52B | 109.5° | 109.4° |
| H52A | C52 | H52B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C33 | H1 | 116.3° | 120.0° |
| C2 | C1 | C33 | C8 | 125.1° | 120.0° |
| C2 | C1 | H1 | C8 | 121.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C1 | C2 | C3 | N6 | 120.1° | 120.0° |
| C1 | C2 | H2 | N6 | 118.5° | 120.0° |
| C1 | C2 | C3 | N4 | 135.9° | 83.8° |
| C1 | C2 | C3 | O5 | 45.9° | 96.1° |
| C1 | C2 | N6 | HN6 | 128.2° | 176.0° |
| C1 | C2 | N6 | HN6A | 111.9° | 60.0° |
| C2 | C1 | C8 | H8 | 44.4° | 66.1° |
| C2 | C1 | C8 | H8A | 77.6° | 53.9° |
| C2 | C1 | C8 | C23 | 164.4° | 173.9° |
| C2 | C1 | C33 | N35 | 128.0° | 55.0° |
| C2 | C1 | C33 | O38 | 52.5° | 170.4° |
| C2 | C1 | C33 | H25 | 123.3° | 67.3° |
| C33 | C1 | H1 | C8 | 118.5° | 120.0° |
| C33 | C1 | C2 | C3 | 75.4° | 175.0° |
| C33 | C1 | C2 | H2 | 42.3° | 55.0° |
| C33 | C1 | C2 | N6 | 161.7° | 64.9° |
| C33 | C1 | C8 | H8 | 79.8° | 53.8° |
| C33 | C1 | C8 | H8A | 158.2° | 173.9° |
| C33 | C1 | C8 | C23 | 40.2° | 66.1° |
| C1 | C33 | N35 | O38 | 179.5° | 118.8° |
| C1 | C33 | N35 | H25 | 5.9° | 122.3° |
| C1 | C33 | O38 | H25 | 160.2° | 122.3° |
| C1 | C33 | N35 | C36 | 179.4° | 142.7° |
| C1 | C33 | O38 | N37 | 179.4° | 157.0° |
| C1 | C33 | N35 | H261 | 59.4° | 22.0° |
| H1 | C1 | C2 | C3 | 44.0° | 55.0° |
| H1 | C1 | C2 | H2 | 161.7° | 65.0° |
| H1 | C1 | C2 | N6 | 78.9° | 175.1° |
| H1 | C1 | C8 | H8 | 160.6° | 173.9° |
| H1 | C1 | C8 | H8A | 38.6° | 66.1° |
| H1 | C1 | C8 | C23 | 79.4° | 53.9° |
| H1 | C1 | C33 | N35 | 11.7° | 65.0° |
| H1 | C1 | C33 | O38 | 168.8° | 50.4° |
| H1 | C1 | C33 | H25 | 7.0° | 172.7° |
| C3 | C2 | H2 | N6 | 121.3° | 120.0° |
| C2 | C3 | N4 | O5 | 178.1° | 180.0° |
| C2 | C3 | N4 | C14 | 160.7° | 180.0° |
| C2 | C3 | N4 | C11 | 19.0° | 0.3° |
| C3 | C2 | N6 | HN6 | 110.1° | 63.9° |
| C3 | C2 | N6 | HN6A | 9.8° | 60.0° |
| C3 | C2 | C1 | C8 | 162.2° | 65.0° |
| H2 | C2 | C3 | N4 | 15.3° | 36.2° |
| H2 | C2 | C3 | O5 | 166.4° | 143.9° |
| H2 | C2 | N6 | HN6 | 7.5° | 56.1° |
| H2 | C2 | N6 | HN6A | 127.5° | 180.0° |
| H2 | C2 | C1 | C8 | 80.1° | 175.0° |
| C3 | N4 | C14 | C11 | 179.7° | 179.7° |
| N4 | C3 | C2 | N6 | 104.0° | 156.1° |
| C3 | N4 | C11 | C12 | 161.9° | 178.9° |
| C3 | N4 | C11 | H11 | 78.2° | 61.7° |
| C3 | N4 | C11 | H11A | 40.1° | 59.5° |
| C3 | N4 | C14 | C13 | 179.4° | 155.9° |
| C3 | N4 | C14 | H14 | 60.5° | 37.0° |
| C3 | N4 | C14 | H14A | 57.4° | 85.3° |
| C14 | N4 | C3 | O5 | 17.4° | 0.0° |
| C14 | N4 | C11 | C12 | 18.4° | 0.8° |
| C14 | N4 | C11 | H11 | 101.6° | 118.6° |
| C14 | N4 | C11 | H11A | 140.2° | 120.2° |
| N4 | C14 | C13 | C12 | 19.3° | 36.7° |
| N4 | C14 | C13 | H13 | 100.8° | 154.9° |
| N4 | C14 | C13 | H13A | 140.5° | 81.3° |
| N4 | C14 | C13 | H14 | 120.0° | 118.9° |
| N4 | C14 | C13 | H14A | 122.1° | 118.8° |
| N4 | C14 | H14 | H14A | 122.3° | 122.3° |
| C11 | N4 | C3 | O5 | 162.9° | 179.7° |
| N4 | C11 | C12 | H11 | 120.0° | 119.4° |
| N4 | C11 | C12 | H11A | 121.8° | 119.4° |
| N4 | C11 | H11 | H11A | 121.9° | 121.1° |
| N4 | C11 | C12 | F21 | 85.4° | 140.6° |
| N4 | C11 | C12 | H12 | 153.4° | 96.3° |
| N4 | C11 | C12 | C13 | 29.7° | 22.2° |
| C11 | N4 | C14 | C13 | 0.3° | 23.8° |
| C11 | N4 | C14 | H14 | 119.7° | 142.7° |
| C11 | N4 | C14 | H14A | 122.4° | 94.9° |
| O5 | C3 | C2 | N6 | 74.3° | 23.9° |
| C2 | N6 | HN6 | HN6A | 120.0° | 123.9° |
| N6 | C2 | C1 | C8 | 39.3° | 55.0° |
| C1 | C8 | H8 | H8A | 118.1° | 120.0° |
| C1 | C8 | H8 | C23 | 123.7° | 119.9° |
| C1 | C8 | H8A | C23 | 122.5° | 119.9° |
| C1 | C8 | C23 | H23 | 62.4° | 29.8° |
| C1 | C8 | C23 | C26 | 86.4° | 175.5° |
| C1 | C8 | C23 | C27 | 153.4° | 115.9° |
| C8 | C1 | C33 | N35 | 106.8° | 175.0° |
| C8 | C1 | C33 | O38 | 72.6° | 69.7° |
| C8 | C1 | C33 | H25 | 111.5° | 52.7° |
| H8 | C8 | H8A | C23 | 118.7° | 120.1° |
| H8 | C8 | C23 | H23 | 57.6° | 149.8° |
| H8 | C8 | C23 | C26 | 153.6° | 64.5° |
| H8 | C8 | C23 | C27 | 86.6° | 4.1° |
| H8A | C8 | C23 | H23 | 179.6° | 90.1° |
| H8A | C8 | C23 | C26 | 31.6° | 55.5° |
| H8A | C8 | C23 | C27 | 35.4° | 124.2° |
| C12 | C11 | H11 | H11A | 121.9° | 121.1° |
| C11 | C12 | F21 | H12 | 123.3° | 123.1° |
| C11 | C12 | F21 | C13 | 112.7° | 113.5° |
| C11 | C12 | H12 | C13 | 118.1° | 113.6° |
| C11 | C12 | C13 | H13 | 89.7° | 153.6° |
| C11 | C12 | C13 | H13A | 151.6° | 82.6° |
| C11 | C12 | C13 | C14 | 30.3° | 35.3° |
| H11 | C11 | C12 | F21 | 154.6° | 100.1° |
| H11 | C11 | C12 | H12 | 33.4° | 23.0° |
| H11 | C11 | C12 | C13 | 90.3° | 141.6° |
| H11A | C11 | C12 | F21 | 36.4° | 21.2° |
| H11A | C11 | C12 | H12 | 84.8° | 144.3° |
| H11A | C11 | C12 | C13 | 151.5° | 97.2° |
| F21 | C12 | H12 | C13 | 120.4° | 123.3° |
| F21 | C12 | C13 | H13 | 154.1° | 88.0° |
| F21 | C12 | C13 | H13A | 35.4° | 35.7° |
| F21 | C12 | C13 | C14 | 85.9° | 153.7° |
| H12 | C12 | C13 | H13 | 33.1° | 35.2° |
| H12 | C12 | C13 | H13A | 85.6° | 158.9° |
| H12 | C12 | C13 | C14 | 153.1° | 83.1° |
| C12 | C13 | H13 | H13A | 121.3° | 123.8° |
| C12 | C13 | H13 | C14 | 117.3° | 112.4° |
| C12 | C13 | H13A | C14 | 118.2° | 112.2° |
| C12 | C13 | C14 | H14 | 100.7° | 155.6° |
| C12 | C13 | C14 | H14A | 141.3° | 82.1° |
| H13 | C13 | H13A | C14 | 120.9° | 124.0° |
| H13 | C13 | C14 | H14 | 139.2° | 86.2° |
| H13 | C13 | C14 | H14A | 21.3° | 36.1° |
| H13A | C13 | C14 | H14 | 20.5° | 37.6° |
| H13A | C13 | C14 | H14A | 97.4° | 159.9° |
| C13 | C14 | H14 | H14A | 122.2° | 122.1° |
| C8 | C23 | H23 | C26 | 127.6° | 145.6° |
| C8 | C23 | H23 | C27 | 140.7° | 145.7° |
| C8 | C23 | C26 | C27 | 117.7° | 107.5° |
| C8 | C23 | C26 | H26 | 2.3° | 0.0° |
| C8 | C23 | C26 | H26A | 115.9° | 145.0° |
| C8 | C23 | C27 | H27 | 147.3° | 145.1° |
| C8 | C23 | C27 | H27A | 34.1° | 0.0° |
| H23 | C23 | C26 | C27 | 117.3° | 107.5° |
| H23 | C23 | C26 | H26 | 122.7° | 145.0° |
| H23 | C23 | C26 | H26A | 9.1° | 0.0° |
| H23 | C23 | C27 | H27 | 14.8° | 0.1° |
| H23 | C23 | C27 | H27A | 98.4° | 145.0° |
| C23 | C26 | H26 | H26A | 139.7° | 145.7° |
| C23 | C26 | H26 | C27 | 80.6° | 68.6° |
| C23 | C26 | H26A | C27 | 89.8° | 68.6° |
| C23 | C26 | C27 | H27 | 120.0° | 107.5° |
| C23 | C26 | C27 | H27A | 126.8° | 107.5° |
| H26 | C26 | H26A | C27 | 135.1° | 145.7° |
| H26 | C26 | C27 | H27 | 120.0° | 145.0° |
| H26 | C26 | C27 | H27A | 6.8° | 0.0° |
| H26A | C26 | C27 | H27 | 6.4° | 0.0° |
| H26A | C26 | C27 | H27A | 106.7° | 145.0° |
| C23 | C27 | H27 | H27A | 138.2° | 145.8° |
| C26 | C27 | H27 | H27A | 138.2° | 145.7° |
| N35 | C33 | O38 | H25 | 20.3° | 118.9° |
| C33 | N35 | C36 | H261 | 120.0° | 120.8° |
| C33 | N35 | C36 | N37 | 0.1° | 0.2° |
| C33 | N35 | C36 | C39 | 178.6° | 118.9° |
| N35 | C33 | O38 | N37 | 0.1° | 38.2° |
| C33 | N35 | C36 | H271 | 170.9° | 119.3° |
| O38 | C33 | N35 | C36 | 0.1° | 23.9° |
| C33 | O38 | N37 | C36 | 0.1° | 38.0° |
| O38 | C33 | N35 | H261 | 120.1° | 96.8° |
| C33 | O38 | N37 | H28 | 120.0° | 157.6° |
| N35 | C36 | N37 | C39 | 178.7° | 119.1° |
| N35 | C36 | N37 | H271 | 166.7° | 119.1° |
| N35 | C36 | C39 | H271 | 29.6° | 121.8° |
| N35 | C36 | N37 | O38 | 0.0° | 23.0° |
| N35 | C36 | C39 | C40 | 34.2° | 145.0° |
| N35 | C36 | C39 | C44 | 147.3° | 35.3° |
| C36 | N35 | C33 | H25 | 174.8° | 95.0° |
| N35 | C36 | N37 | H28 | 120.0° | 142.6° |
| N37 | C36 | C39 | H271 | 152.0° | 121.8° |
| C36 | N37 | O38 | H28 | 120.0° | 119.6° |
| N37 | C36 | C39 | C40 | 144.3° | 28.6° |
| N37 | C36 | C39 | C44 | 34.3° | 151.7° |
| N37 | C36 | N35 | H261 | 120.0° | 120.6° |
| C39 | C36 | N37 | O38 | 178.7° | 142.0° |
| C36 | C39 | C40 | C44 | 178.7° | 179.7° |
| C36 | C39 | C40 | C41 | 178.3° | 180.0° |
| C36 | C39 | C40 | H40 | 1.7° | 0.0° |
| C36 | C39 | C44 | C43 | 178.2° | 179.7° |
| C36 | C39 | C44 | F48 | 1.3° | 0.0° |
| C39 | C36 | N35 | H261 | 61.4° | 120.3° |
| C39 | C36 | N37 | H28 | 61.3° | 98.4° |
| N37 | O38 | C33 | H25 | 20.4° | 80.7° |
| O38 | N37 | C36 | H271 | 166.7° | 96.1° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 0.2° | 0.0° |
| C39 | C40 | C41 | H41 | 179.8° | 180.0° |
| C40 | C39 | C44 | C43 | 0.4° | 0.6° |
| C40 | C39 | C44 | F48 | 179.8° | 179.7° |
| C40 | C39 | C36 | H271 | 63.8° | 93.2° |
| C44 | C39 | C40 | C41 | 0.4° | 0.3° |
| C44 | C39 | C40 | H40 | 179.6° | 179.7° |
| C39 | C44 | C43 | C42 | 0.2° | 0.5° |
| C39 | C44 | C43 | H43 | 179.8° | 179.6° |
| C39 | C44 | C43 | F48 | 179.5° | 179.7° |
| C44 | C39 | C36 | H271 | 117.7° | 86.5° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | S49 | 178.6° | 180.0° |
| C40 | C41 | C42 | C43 | 0.8° | 0.1° |
| H40 | C40 | C41 | C42 | 179.8° | 180.0° |
| H40 | C40 | C41 | H41 | 0.2° | 0.1° |
| C41 | C42 | S49 | C43 | 179.4° | 180.0° |
| C41 | C42 | C43 | H43 | 179.2° | 179.9° |
| C41 | C42 | C43 | C44 | 0.8° | 0.2° |
| C41 | C42 | S49 | O51 | 17.3° | 26.1° |
| C41 | C42 | S49 | O50 | 143.3° | 153.9° |
| C41 | C42 | S49 | C52 | 99.2° | 90.0° |
| H41 | C41 | C42 | S49 | 1.4° | 0.0° |
| H41 | C41 | C42 | C43 | 179.2° | 180.0° |
| S49 | C42 | C43 | H43 | 1.4° | 0.1° |
| S49 | C42 | C43 | C44 | 178.6° | 179.8° |
| C42 | S49 | O51 | O50 | 120.1° | 116.7° |
| C42 | S49 | O51 | C52 | 111.9° | 111.7° |
| C42 | S49 | O50 | C52 | 112.7° | 111.7° |
| C42 | S49 | C52 | H52 | 144.5° | 60.0° |
| C42 | S49 | C52 | H52A | 24.5° | 180.0° |
| C42 | S49 | C52 | H52B | 95.5° | 60.0° |
| C42 | C43 | H43 | C44 | 180.0° | 179.8° |
| C42 | C43 | C44 | F48 | 179.3° | 179.8° |
| C43 | C42 | S49 | O51 | 162.1° | 153.9° |
| C43 | C42 | S49 | O50 | 36.1° | 26.1° |
| C43 | C42 | S49 | C52 | 81.5° | 90.0° |
| H43 | C43 | C44 | F48 | 0.7° | 0.1° |
| O51 | S49 | O50 | C52 | 127.7° | 131.6° |
| O51 | S49 | C52 | H52 | 101.7° | 171.6° |
| O51 | S49 | C52 | H52A | 138.3° | 68.4° |
| O51 | S49 | C52 | H52B | 18.3° | 51.6° |
| O50 | S49 | C52 | H52 | 29.5° | 51.6° |
| O50 | S49 | C52 | H52A | 90.5° | 68.4° |
| O50 | S49 | C52 | H52B | 149.5° | 171.6° |
| S49 | C52 | H52 | H52A | 120.0° | 120.0° |
| S49 | C52 | H52 | H52B | 120.0° | 120.0° |
| S49 | C52 | H52A | H52B | 120.0° | 120.0° |
| H52 | C52 | H52A | H52B | 120.0° | 120.0° |
| H25 | C33 | N35 | H261 | 65.2° | 144.2° |
| H261 | N35 | C36 | H271 | 50.9° | 1.5° |
| H271 | C36 | N37 | H28 | 46.7° | 23.5° |
