7PF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C2 | sing | 1.53Å | 1.54Å | |
| C15 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.54Å | 1.55Å | |
| C2 | C1 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.52Å | 1.56Å | |
| C1 | C8 | sing | 1.54Å | 1.57Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C12 | sing | 1.51Å | 1.57Å | |
| C5 | C6 | sing | 1.51Å | 1.43Å | |
| O3 | C12 | sing | 1.45Å | 1.48Å | |
| O3 | C11 | sing | 1.35Å | 1.37Å | |
| C4 | C8 | sing | 1.56Å | 1.53Å | |
| C4 | C9 | sing | 1.52Å | 1.56Å | |
| O5 | C13 | doub | 1.21Å | 1.26Å | |
| O2 | C11 | doub | 1.21Å | 1.24Å | |
| C11 | C9 | sing | 1.51Å | 1.41Å | |
| C6 | C13 | sing | 1.47Å | 1.37Å | |
| C6 | C7 | doub | 1.33Å | 1.36Å | |
| C8 | C7 | sing | 1.51Å | 1.45Å | |
| C13 | O4 | sing | 1.35Å | 1.25Å | |
| C9 | O1 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| O1 | C10 | sing | 1.43Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C2 | C15 | 106.3° | 110.0° |
| C14 | C2 | C3 | 114.6° | 109.9° |
| C14 | C2 | C1 | 113.1° | 109.9° |
| C2 | C14 | H6 | 109.5° | 109.5° |
| C2 | C14 | H7 | 109.5° | 109.4° |
| C2 | C14 | H8 | 109.5° | 109.5° |
| C15 | C2 | C3 | 111.0° | 109.9° |
| C15 | C2 | C1 | 110.3° | 109.9° |
| C2 | C15 | H3 | 109.5° | 109.5° |
| C2 | C15 | H4 | 109.5° | 109.4° |
| C2 | C15 | H5 | 109.4° | 109.5° |
| C3 | C2 | C1 | 101.7° | 107.1° |
| C2 | C3 | C4 | 105.4° | 107.2° |
| C2 | C3 | H15 | 110.5° | 109.9° |
| C2 | C3 | H16 | 110.5° | 109.8° |
| C2 | C1 | C8 | 109.1° | 106.1° |
| C2 | C1 | H1 | 109.6° | 110.2° |
| C2 | C1 | H2 | 109.6° | 110.2° |
| C3 | C4 | C5 | 114.7° | 112.0° |
| C3 | C4 | C8 | 104.8° | 106.2° |
| C3 | C4 | C9 | 108.0° | 112.9° |
| C4 | C3 | H15 | 110.5° | 109.9° |
| C4 | C3 | H16 | 110.5° | 109.9° |
| C1 | C8 | C4 | 105.1° | 104.0° |
| C1 | C8 | C7 | 115.7° | 109.5° |
| C8 | C1 | H1 | 109.6° | 110.1° |
| C8 | C1 | H2 | 109.6° | 110.1° |
| C1 | C8 | H18 | 109.8° | 112.6° |
| C4 | C5 | C12 | 107.1° | 113.7° |
| C4 | C5 | C6 | 105.6° | 105.5° |
| C5 | C4 | C8 | 103.4° | 101.2° |
| C5 | C4 | C9 | 112.5° | 114.3° |
| C4 | C5 | H19 | 111.2° | 108.5° |
| C12 | C5 | C6 | 108.7° | 112.5° |
| C5 | C12 | O3 | 113.6° | 110.8° |
| C5 | C12 | H11 | 108.4° | 109.2° |
| C5 | C12 | H12 | 108.4° | 109.2° |
| C12 | C5 | H19 | 110.8° | 108.5° |
| C5 | C6 | C13 | 125.1° | 125.0° |
| C5 | C6 | C7 | 110.3° | 109.9° |
| C6 | C5 | H19 | 113.0° | 107.9° |
| C12 | O3 | C11 | 115.5° | 114.5° |
| O3 | C12 | H11 | 108.4° | 109.2° |
| O3 | C12 | H12 | 108.4° | 109.2° |
| O3 | C11 | O2 | 123.2° | 121.1° |
| O3 | C11 | C9 | 115.4° | 117.7° |
| C8 | C4 | C9 | 113.2° | 109.2° |
| C4 | C8 | C7 | 103.7° | 104.0° |
| C4 | C8 | H18 | 110.4° | 113.3° |
| C4 | C9 | C11 | 111.4° | 116.7° |
| C4 | C9 | O1 | 118.8° | 118.0° |
| C4 | C9 | C10 | 122.1° | 117.9° |
| O5 | C13 | C6 | 123.0° | 119.9° |
| O5 | C13 | O4 | 116.0° | 120.1° |
| O2 | C11 | C9 | 121.4° | 121.2° |
| C11 | C9 | O1 | 118.0° | 116.9° |
| C11 | C9 | C10 | 118.0° | 116.8° |
| C13 | C6 | C7 | 124.5° | 125.0° |
| C6 | C13 | O4 | 121.0° | 120.0° |
| C6 | C7 | C8 | 112.4° | 110.8° |
| C6 | C7 | H9 | 123.8° | 124.6° |
| C8 | C7 | H9 | 123.8° | 124.6° |
| C7 | C8 | H18 | 111.7° | 112.6° |
| C13 | O4 | H20 | 109.5° | 117.0° |
| O1 | C9 | C10 | 59.8° | 57.5° |
| C9 | O1 | C10 | 62.6° | 64.8° |
| C9 | C10 | O1 | 57.6° | 57.7° |
| C9 | C10 | H13 | 120.4° | 117.7° |
| C9 | C10 | H14 | 120.4° | 117.7° |
| O1 | C10 | H13 | 120.4° | 117.8° |
| O1 | C10 | H14 | 120.4° | 117.8° |
| H1 | C1 | H2 | 109.4° | 110.1° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C14 | H7 | 109.4° | 109.4° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.1° |
| H13 | C10 | H14 | 109.4° | 115.8° |
| H15 | C3 | H16 | 109.4° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C2 | C15 | C3 | 125.2° | 121.1° |
| C14 | C2 | C15 | C1 | 122.9° | 121.2° |
| C14 | C2 | C3 | C1 | 122.3° | 119.4° |
| C14 | C2 | C3 | C4 | 85.5° | 119.4° |
| C14 | C2 | C1 | C8 | 98.1° | 138.0° |
| C14 | C2 | C1 | H1 | 141.9° | 102.9° |
| C14 | C2 | C1 | H2 | 21.9° | 18.8° |
| C14 | C2 | C15 | H3 | 180.0° | 61.1° |
| C14 | C2 | C15 | H4 | 60.0° | 58.9° |
| C14 | C2 | C15 | H5 | 60.0° | 178.8° |
| C2 | C14 | H6 | H7 | 120.0° | 119.9° |
| C2 | C14 | H6 | H8 | 120.0° | 120.1° |
| C2 | C14 | H7 | H8 | 120.0° | 120.0° |
| C14 | C2 | C3 | H15 | 33.8° | 0.0° |
| C14 | C2 | C3 | H16 | 155.1° | 121.3° |
| C15 | C2 | C3 | C1 | 117.3° | 119.4° |
| C15 | C2 | C3 | C4 | 154.0° | 119.4° |
| C15 | C2 | C1 | C8 | 143.1° | 100.8° |
| C15 | C2 | C1 | H1 | 23.1° | 18.4° |
| C15 | C2 | C1 | H2 | 97.0° | 140.1° |
| C2 | C15 | H3 | H4 | 120.0° | 120.0° |
| C2 | C15 | H3 | H5 | 120.0° | 120.0° |
| C2 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C2 | C14 | H6 | 180.0° | 178.8° |
| C15 | C2 | C14 | H7 | 60.0° | 58.9° |
| C15 | C2 | C14 | H8 | 60.0° | 61.1° |
| C15 | C2 | C3 | H15 | 86.6° | 121.2° |
| C15 | C2 | C3 | H16 | 34.6° | 0.0° |
| C2 | C3 | C4 | H15 | 119.4° | 119.4° |
| C2 | C3 | C4 | H16 | 119.4° | 119.3° |
| C3 | C2 | C1 | C8 | 25.2° | 18.6° |
| C2 | C3 | C4 | C5 | 77.5° | 91.1° |
| C2 | C3 | C4 | C8 | 35.2° | 18.4° |
| C2 | C3 | C4 | C9 | 156.2° | 138.1° |
| C3 | C2 | C1 | H1 | 94.7° | 137.8° |
| C3 | C2 | C1 | H2 | 145.2° | 100.6° |
| C3 | C2 | C15 | H3 | 54.8° | 60.0° |
| C3 | C2 | C15 | H4 | 65.2° | 180.0° |
| C3 | C2 | C15 | H5 | 174.8° | 60.0° |
| C3 | C2 | C14 | H6 | 57.0° | 60.1° |
| C3 | C2 | C14 | H7 | 176.9° | 180.0° |
| C3 | C2 | C14 | H8 | 63.1° | 60.0° |
| C2 | C3 | H15 | H16 | 121.9° | 121.1° |
| C1 | C2 | C3 | C4 | 36.7° | 0.0° |
| C2 | C1 | C8 | H1 | 119.9° | 119.2° |
| C2 | C1 | C8 | H2 | 120.0° | 119.2° |
| C2 | C1 | C8 | C4 | 4.3° | 29.5° |
| C2 | C1 | C8 | C7 | 109.5° | 140.2° |
| C2 | C1 | H1 | H2 | 120.2° | 121.7° |
| C1 | C2 | C15 | H3 | 57.1° | 177.7° |
| C1 | C2 | C15 | H4 | 177.1° | 62.3° |
| C1 | C2 | C15 | H5 | 62.9° | 57.6° |
| C1 | C2 | C14 | H6 | 58.9° | 57.6° |
| C1 | C2 | C14 | H7 | 61.1° | 62.3° |
| C1 | C2 | C14 | H8 | 178.9° | 177.7° |
| C1 | C2 | C3 | H15 | 156.1° | 119.4° |
| C1 | C2 | C3 | H16 | 82.6° | 119.3° |
| C2 | C1 | C8 | H18 | 123.0° | 93.7° |
| C3 | C4 | C8 | C1 | 18.6° | 29.6° |
| C3 | C4 | C5 | C8 | 113.5° | 112.7° |
| C3 | C4 | C5 | C9 | 124.0° | 130.1° |
| C3 | C4 | C5 | C12 | 111.0° | 95.7° |
| C3 | C4 | C5 | C6 | 133.2° | 140.5° |
| C3 | C4 | C8 | C9 | 117.5° | 122.1° |
| C3 | C4 | C9 | C11 | 69.1° | 106.7° |
| C3 | C4 | C8 | C7 | 140.5° | 144.3° |
| C3 | C4 | C9 | O1 | 73.1° | 40.5° |
| C3 | C4 | C9 | C10 | 143.7° | 106.5° |
| C4 | C3 | H15 | H16 | 121.8° | 121.2° |
| C3 | C4 | C8 | H18 | 99.7° | 93.1° |
| C3 | C4 | C5 | H19 | 10.3° | 25.1° |
| C1 | C8 | C4 | C5 | 101.9° | 87.5° |
| C1 | C8 | C4 | C7 | 121.9° | 114.7° |
| C1 | C8 | C4 | H18 | 118.3° | 122.7° |
| C1 | C8 | C4 | C9 | 136.1° | 151.7° |
| C1 | C8 | C7 | C6 | 100.4° | 93.1° |
| C1 | C8 | C7 | H18 | 126.6° | 126.2° |
| C8 | C1 | H1 | H2 | 120.2° | 121.6° |
| C1 | C8 | C7 | H9 | 79.6° | 86.8° |
| C4 | C5 | C12 | C6 | 113.7° | 119.9° |
| C4 | C5 | C12 | H19 | 121.5° | 120.8° |
| C4 | C5 | C6 | H19 | 121.8° | 115.8° |
| C4 | C5 | C12 | O3 | 39.9° | 51.5° |
| C5 | C4 | C8 | C9 | 122.1° | 120.9° |
| C5 | C4 | C9 | C11 | 58.5° | 23.0° |
| C4 | C5 | C6 | C13 | 165.7° | 161.3° |
| C4 | C5 | C6 | C7 | 12.1° | 18.8° |
| C5 | C4 | C8 | C7 | 20.1° | 27.2° |
| C5 | C4 | C9 | O1 | 159.3° | 170.2° |
| C5 | C4 | C9 | C10 | 88.8° | 123.9° |
| C4 | C5 | C12 | H11 | 80.7° | 171.9° |
| C4 | C5 | C12 | H12 | 160.5° | 68.9° |
| C5 | C4 | C3 | H15 | 41.9° | 28.3° |
| C5 | C4 | C3 | H16 | 163.1° | 149.5° |
| C5 | C4 | C8 | H18 | 139.8° | 149.8° |
| C12 | C5 | C6 | H19 | 123.5° | 119.7° |
| C5 | C12 | O3 | H11 | 120.6° | 120.4° |
| C5 | C12 | O3 | H12 | 120.6° | 120.3° |
| C5 | C12 | O3 | C11 | 56.5° | 59.7° |
| C12 | C5 | C4 | C8 | 135.6° | 151.5° |
| C12 | C5 | C4 | C9 | 13.0° | 34.4° |
| C12 | C5 | C6 | C13 | 51.0° | 36.8° |
| C12 | C5 | C6 | C7 | 126.8° | 143.3° |
| C5 | C12 | H11 | H12 | 118.1° | 119.3° |
| C6 | C5 | C12 | O3 | 153.6° | 68.4° |
| C6 | C5 | C4 | C8 | 19.8° | 27.8° |
| C6 | C5 | C4 | C9 | 102.8° | 89.4° |
| C5 | C6 | C13 | O5 | 9.0° | 180.0° |
| C5 | C6 | C13 | C7 | 177.4° | 179.9° |
| C5 | C6 | C7 | C8 | 1.4° | 0.4° |
| C5 | C6 | C13 | O4 | 172.1° | 0.1° |
| C5 | C6 | C7 | H9 | 178.6° | 179.5° |
| C6 | C5 | C12 | H11 | 33.0° | 52.0° |
| C6 | C5 | C12 | H12 | 85.8° | 171.3° |
| C12 | O3 | C11 | O2 | 172.2° | 130.6° |
| C12 | O3 | C11 | C9 | 9.3° | 49.3° |
| O3 | C12 | H11 | H12 | 118.1° | 119.3° |
| O3 | C12 | C5 | H19 | 81.6° | 172.3° |
| O3 | C11 | C9 | C4 | 46.6° | 30.6° |
| O3 | C11 | O2 | C9 | 178.5° | 179.9° |
| O3 | C11 | C9 | O1 | 170.9° | 178.2° |
| O3 | C11 | C9 | C10 | 102.1° | 116.6° |
| C11 | O3 | C12 | H11 | 64.1° | 180.0° |
| C11 | O3 | C12 | H12 | 177.1° | 60.7° |
| C8 | C4 | C9 | C11 | 175.3° | 135.4° |
| C4 | C8 | C7 | C6 | 14.2° | 17.6° |
| C4 | C8 | C7 | H18 | 118.9° | 123.1° |
| C8 | C4 | C9 | O1 | 42.5° | 77.4° |
| C8 | C4 | C9 | C10 | 28.1° | 11.4° |
| C4 | C8 | C1 | H1 | 115.7° | 148.7° |
| C4 | C8 | C1 | H2 | 124.2° | 89.8° |
| C4 | C8 | C7 | H9 | 165.9° | 162.5° |
| C8 | C4 | C3 | H15 | 154.6° | 137.8° |
| C8 | C4 | C3 | H16 | 84.2° | 100.9° |
| C8 | C4 | C5 | H19 | 103.2° | 87.6° |
| C4 | C9 | C11 | O2 | 132.0° | 149.3° |
| C4 | C9 | C11 | O1 | 142.5° | 147.6° |
| C4 | C9 | C11 | C10 | 148.7° | 147.2° |
| C9 | C4 | C8 | C7 | 102.0° | 93.7° |
| C4 | C9 | O1 | C10 | 112.4° | 106.8° |
| C4 | C9 | C10 | H13 | 1.8° | 0.1° |
| C4 | C9 | C10 | H14 | 144.2° | 146.1° |
| C9 | C4 | C3 | H15 | 84.4° | 102.5° |
| C9 | C4 | C3 | H16 | 36.8° | 18.8° |
| C9 | C4 | C8 | H18 | 17.7° | 29.0° |
| C9 | C4 | C5 | H19 | 134.3° | 155.2° |
| O5 | C13 | C6 | O4 | 178.9° | 179.9° |
| O5 | C13 | C6 | C7 | 173.6° | 0.1° |
| O5 | C13 | O4 | H20 | 0.0° | 0.0° |
| O2 | C11 | C9 | O1 | 10.5° | 1.7° |
| O2 | C11 | C9 | C10 | 79.3° | 63.5° |
| C11 | C9 | O1 | C10 | 107.9° | 106.1° |
| C11 | C9 | C10 | H13 | 143.4° | 146.9° |
| C11 | C9 | C10 | H14 | 1.1° | 0.7° |
| C13 | C6 | C7 | C8 | 179.1° | 179.7° |
| C13 | C6 | C7 | H9 | 0.9° | 0.4° |
| C13 | C6 | C5 | H19 | 72.5° | 82.9° |
| C6 | C13 | O4 | H20 | 179.0° | 180.0° |
| C6 | C7 | C8 | H9 | 180.0° | 179.9° |
| C7 | C6 | C13 | O4 | 5.4° | 180.0° |
| C6 | C7 | C8 | H18 | 133.0° | 140.7° |
| C7 | C6 | C5 | H19 | 109.7° | 97.0° |
| C7 | C8 | C1 | H1 | 130.6° | 100.6° |
| C7 | C8 | C1 | H2 | 10.5° | 20.9° |
| O1 | C9 | C10 | H13 | 108.8° | 106.9° |
| O1 | C9 | C10 | H14 | 108.8° | 106.9° |
| C9 | C10 | H13 | H14 | 146.0° | 146.8° |
| O1 | C10 | H13 | H14 | 146.0° | 147.1° |
| H1 | C1 | C8 | H18 | 3.1° | 25.5° |
| H2 | C1 | C8 | H18 | 117.0° | 147.1° |
| H3 | C15 | H4 | H5 | 120.0° | 120.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H9 | C7 | C8 | H18 | 47.0° | 39.3° |
| H11 | C12 | C5 | H19 | 157.8° | 67.3° |
| H12 | C12 | C5 | H19 | 39.0° | 51.9° |
