ORS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C12 | doub | 1.43Å | 1.41Å | Aromatic |
| C10 | C18 | sing | 1.42Å | 1.45Å | Aromatic |
| C10 | RH | sing | 2.13Å | 2.14Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | sing | 1.42Å | 1.46Å | Aromatic |
| C12 | RH | sing | 2.14Å | 2.17Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C16 | doub | 1.42Å | 1.40Å | Aromatic |
| C14 | RH | sing | 2.17Å | 2.22Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C18 | sing | 1.43Å | 1.44Å | Aromatic |
| C16 | RH | sing | 2.17Å | 2.20Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | RH | sing | 2.14Å | 2.14Å | |
| RH | CL2 | sing | 2.42Å | 2.43Å | |
| RH | CL1 | sing | 2.42Å | 2.43Å | |
| C11 | H1 | sing | 0.97Å | 1.10Å | |
| C11 | H2 | sing | 0.97Å | 1.10Å | |
| C11 | H3 | sing | 0.97Å | 1.10Å | |
| C13 | H4 | sing | 0.97Å | 1.10Å | |
| C13 | H5 | sing | 0.97Å | 1.10Å | |
| C13 | H6 | sing | 0.97Å | 1.10Å | |
| C15 | H7 | sing | 0.97Å | 1.10Å | |
| C15 | H8 | sing | 0.97Å | 1.10Å | |
| C15 | H9 | sing | 0.97Å | 1.10Å | |
| C17 | H10 | sing | 0.97Å | 1.10Å | |
| C17 | H11 | sing | 0.97Å | 1.10Å | |
| C17 | H12 | sing | 0.97Å | 1.10Å | |
| C19 | H13 | sing | 0.97Å | 1.10Å | |
| C19 | H14 | sing | 0.97Å | 1.10Å | |
| C19 | H15 | sing | 0.97Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C12 | 127.4° | 127.5° |
| C11 | C10 | C18 | 125.0° | 124.6° |
| C11 | C10 | RH | 124.7° | 122.9° |
| C10 | C11 | H1 | 109.5° | 110.0° |
| C10 | C11 | H2 | 109.5° | 110.3° |
| C10 | C11 | H3 | 109.4° | 109.5° |
| C12 | C10 | C18 | 107.6° | 107.9° |
| C12 | C10 | RH | 72.2° | 70.8° |
| C10 | C12 | C13 | 123.6° | 126.9° |
| C10 | C12 | C14 | 108.2° | 108.0° |
| C10 | C12 | RH | 69.5° | 70.2° |
| C18 | C10 | RH | 70.2° | 70.9° |
| C10 | C18 | C16 | 107.7° | 108.1° |
| C10 | C18 | C19 | 129.3° | 124.5° |
| C10 | C18 | RH | 70.2° | 70.3° |
| C10 | RH | C12 | 38.3° | 39.0° |
| C10 | RH | C14 | 64.4° | 64.9° |
| C10 | RH | C16 | 65.0° | 64.9° |
| C10 | RH | C18 | 39.6° | 38.9° |
| C10 | RH | CL2 | 139.5° | 134.0° |
| C10 | RH | CL1 | 126.7° | 134.0° |
| C13 | C12 | C14 | 127.7° | 125.0° |
| C13 | C12 | RH | 130.1° | 124.5° |
| C12 | C13 | H4 | 109.5° | 110.0° |
| C12 | C13 | H5 | 109.4° | 110.3° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C14 | C12 | RH | 72.6° | 71.8° |
| C12 | C14 | C15 | 124.4° | 125.9° |
| C12 | C14 | C16 | 108.1° | 108.0° |
| C12 | C14 | RH | 68.7° | 69.6° |
| C12 | RH | C14 | 38.7° | 38.6° |
| C12 | RH | C16 | 63.8° | 64.7° |
| C12 | RH | C18 | 64.8° | 65.1° |
| C12 | RH | CL2 | 101.6° | 98.9° |
| C12 | RH | CL1 | 153.8° | 158.4° |
| C15 | C14 | C16 | 127.5° | 126.1° |
| C15 | C14 | RH | 126.5° | 125.6° |
| C14 | C15 | H7 | 109.5° | 110.2° |
| C14 | C15 | H8 | 109.5° | 110.2° |
| C14 | C15 | H9 | 109.4° | 109.5° |
| C16 | C14 | RH | 70.7° | 70.8° |
| C14 | C16 | C17 | 124.2° | 125.2° |
| C14 | C16 | C18 | 108.5° | 107.9° |
| C14 | C16 | RH | 72.5° | 70.9° |
| C14 | RH | C16 | 36.9° | 38.3° |
| C14 | RH | C18 | 63.8° | 64.7° |
| C14 | RH | CL2 | 86.7° | 93.7° |
| C14 | RH | CL1 | 121.8° | 122.5° |
| C17 | C16 | C18 | 127.2° | 126.9° |
| C17 | C16 | RH | 122.4° | 125.2° |
| C16 | C17 | H10 | 109.5° | 110.2° |
| C16 | C17 | H11 | 109.4° | 110.0° |
| C16 | C17 | H12 | 109.5° | 109.6° |
| C18 | C16 | RH | 68.3° | 69.6° |
| C16 | C18 | C19 | 122.3° | 127.4° |
| C16 | C18 | RH | 73.0° | 71.7° |
| C16 | RH | C18 | 38.8° | 38.7° |
| C16 | RH | CL2 | 108.5° | 122.5° |
| C16 | RH | CL1 | 90.8° | 93.7° |
| C19 | C18 | RH | 130.4° | 123.8° |
| C18 | C19 | H13 | 109.5° | 110.3° |
| C18 | C19 | H14 | 109.5° | 110.0° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | RH | CL2 | 147.1° | 158.4° |
| C18 | RH | CL1 | 91.7° | 99.0° |
| CL2 | RH | CL1 | 92.1° | 92.0° |
| H1 | C11 | H2 | 109.5° | 108.5° |
| H1 | C11 | H3 | 109.5° | 109.3° |
| H2 | C11 | H3 | 109.5° | 109.2° |
| H4 | C13 | H5 | 109.5° | 108.5° |
| H4 | C13 | H6 | 109.5° | 109.3° |
| H5 | C13 | H6 | 109.5° | 109.2° |
| H7 | C15 | H8 | 109.5° | 108.3° |
| H7 | C15 | H9 | 109.5° | 109.3° |
| H8 | C15 | H9 | 109.5° | 109.3° |
| H10 | C17 | H11 | 109.5° | 108.4° |
| H10 | C17 | H12 | 109.4° | 109.2° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.5° | 108.4° |
| H13 | C19 | H15 | 109.5° | 109.2° |
| H14 | C19 | H15 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C12 | C18 | 177.8° | 178.7° |
| C11 | C10 | C12 | RH | 120.5° | 117.3° |
| C11 | C10 | C18 | RH | 119.1° | 117.3° |
| C11 | C10 | C12 | C13 | 4.8° | 1.6° |
| C11 | C10 | C12 | C14 | 176.9° | 179.4° |
| C11 | C10 | RH | C14 | 161.4° | 160.4° |
| C11 | C10 | C18 | C16 | 177.1° | 179.4° |
| C11 | C10 | RH | C16 | 157.7° | 157.0° |
| C11 | C10 | C18 | C19 | 7.4° | 0.7° |
| C11 | C10 | RH | CL2 | 112.7° | 91.2° |
| C11 | C10 | RH | CL1 | 86.9° | 87.7° |
| C10 | C11 | H1 | H2 | 120.0° | 120.8° |
| C10 | C11 | H1 | H3 | 120.0° | 120.3° |
| C10 | C11 | H2 | H3 | 120.0° | 120.4° |
| C12 | C10 | C18 | RH | 63.0° | 61.4° |
| C10 | C12 | C13 | C14 | 170.5° | 178.9° |
| C10 | C12 | C13 | RH | 90.6° | 90.1° |
| C10 | C12 | C14 | RH | 60.7° | 61.2° |
| C10 | C12 | C14 | C15 | 178.8° | 179.0° |
| C10 | C12 | C14 | C16 | 0.7° | 0.5° |
| C12 | C10 | C18 | C16 | 0.9° | 0.6° |
| C10 | C12 | RH | C16 | 82.1° | 80.7° |
| C12 | C10 | C18 | C19 | 170.5° | 179.5° |
| C12 | C10 | RH | CL2 | 10.9° | 31.6° |
| C12 | C10 | RH | CL1 | 149.6° | 149.4° |
| C12 | C10 | C11 | H1 | 180.0° | 137.9° |
| C12 | C10 | C11 | H2 | 60.0° | 18.2° |
| C12 | C10 | C11 | H3 | 60.0° | 101.9° |
| C10 | C12 | C13 | H4 | 180.0° | 140.0° |
| C10 | C12 | C13 | H5 | 60.0° | 20.4° |
| C10 | C12 | C13 | H6 | 60.0° | 99.8° |
| C18 | C10 | C12 | C13 | 173.1° | 179.7° |
| C18 | C10 | C12 | C14 | 1.0° | 0.7° |
| C10 | C18 | C16 | C14 | 0.4° | 0.3° |
| C10 | C18 | RH | C14 | 80.8° | 80.7° |
| C10 | C18 | C16 | C17 | 176.9° | 179.5° |
| C10 | C18 | C16 | C19 | 170.6° | 179.9° |
| C10 | C18 | C16 | RH | 62.0° | 61.1° |
| C10 | C18 | C19 | RH | 96.9° | 88.0° |
| C18 | C10 | RH | CL2 | 127.8° | 149.4° |
| C18 | C10 | RH | CL1 | 32.7° | 31.7° |
| C18 | C10 | C11 | H1 | 2.5° | 43.5° |
| C18 | C10 | C11 | H2 | 117.5° | 163.2° |
| C18 | C10 | C11 | H3 | 122.5° | 76.6° |
| C10 | C18 | C19 | H13 | 180.0° | 162.7° |
| C10 | C18 | C19 | H14 | 60.0° | 43.2° |
| C10 | C18 | C19 | H15 | 60.0° | 77.1° |
| C10 | RH | C14 | C15 | 155.2° | 158.2° |
| C10 | RH | C16 | C14 | 80.0° | 80.6° |
| C10 | RH | C14 | CL2 | 150.7° | 137.7° |
| C10 | RH | C14 | CL1 | 118.8° | 127.6° |
| C10 | RH | C16 | C17 | 160.2° | 159.3° |
| C10 | RH | C16 | CL2 | 136.8° | 127.7° |
| C10 | RH | C16 | CL1 | 130.7° | 137.6° |
| C10 | RH | CL2 | CL1 | 164.4° | 179.2° |
| RH | C10 | C11 | H1 | 86.5° | 131.9° |
| RH | C10 | C11 | H2 | 153.5° | 108.4° |
| RH | C10 | C11 | H3 | 33.5° | 11.8° |
| C13 | C12 | C14 | RH | 127.6° | 119.8° |
| C13 | C12 | C14 | C15 | 7.1° | 0.0° |
| C13 | C12 | C14 | C16 | 172.4° | 179.5° |
| C13 | C12 | RH | C16 | 160.7° | 157.5° |
| C13 | C12 | RH | C18 | 156.1° | 159.6° |
| C13 | C12 | RH | CL2 | 55.6° | 35.8° |
| C13 | C12 | RH | CL1 | 175.9° | 155.1° |
| C12 | C13 | H4 | H5 | 120.0° | 120.7° |
| C12 | C13 | H4 | H6 | 120.0° | 120.3° |
| C12 | C13 | H5 | H6 | 120.0° | 120.4° |
| C12 | C14 | C15 | C16 | 179.4° | 179.4° |
| C12 | C14 | C15 | RH | 87.7° | 89.4° |
| C12 | C14 | C16 | RH | 58.8° | 60.0° |
| C12 | C14 | C16 | C17 | 176.4° | 179.9° |
| C12 | C14 | C16 | C18 | 0.2° | 0.1° |
| C12 | C14 | RH | C18 | 81.6° | 81.1° |
| C14 | C12 | RH | CL2 | 69.4° | 84.7° |
| C14 | C12 | RH | CL1 | 50.9° | 34.7° |
| C14 | C12 | C13 | H4 | 9.5° | 41.1° |
| C14 | C12 | C13 | H5 | 129.5° | 160.7° |
| C14 | C12 | C13 | H6 | 110.5° | 79.0° |
| C12 | C14 | C15 | H7 | 180.0° | 151.1° |
| C12 | C14 | C15 | H8 | 60.0° | 31.6° |
| C12 | C14 | C15 | H9 | 60.0° | 88.6° |
| C12 | RH | C16 | C17 | 157.2° | 157.4° |
| C12 | RH | C18 | C16 | 78.9° | 79.9° |
| C12 | RH | C16 | CL2 | 94.1° | 84.4° |
| C12 | RH | C16 | CL1 | 173.4° | 179.1° |
| C12 | RH | C18 | C19 | 162.8° | 156.8° |
| C12 | RH | C18 | CL2 | 71.4° | 45.1° |
| C12 | RH | C18 | CL1 | 168.0° | 164.6° |
| C12 | RH | CL2 | CL1 | 157.6° | 161.2° |
| RH | C12 | C13 | H4 | 89.4° | 49.9° |
| RH | C12 | C13 | H5 | 30.5° | 69.7° |
| RH | C12 | C13 | H6 | 150.6° | 170.0° |
| C15 | C14 | C16 | RH | 121.8° | 120.6° |
| C15 | C14 | C16 | C17 | 4.1° | 0.5° |
| C15 | C14 | C16 | C18 | 179.3° | 179.4° |
| C15 | C14 | RH | C18 | 160.5° | 158.6° |
| C15 | C14 | RH | CL2 | 4.5° | 20.5° |
| C15 | C14 | RH | CL1 | 85.9° | 74.2° |
| C14 | C15 | H7 | H8 | 120.0° | 120.6° |
| C14 | C15 | H7 | H9 | 120.0° | 120.4° |
| C14 | C15 | H8 | H9 | 120.0° | 120.4° |
| C14 | C16 | C17 | C18 | 176.0° | 179.8° |
| C14 | C16 | C17 | RH | 90.0° | 90.4° |
| C14 | C16 | C18 | RH | 61.6° | 60.8° |
| C14 | C16 | C18 | C19 | 171.0° | 179.8° |
| C16 | C14 | RH | CL2 | 127.4° | 141.7° |
| C16 | C14 | RH | CL1 | 37.0° | 47.0° |
| C16 | C14 | C15 | H7 | 0.6° | 29.5° |
| C16 | C14 | C15 | H8 | 120.6° | 149.0° |
| C16 | C14 | C15 | H9 | 119.4° | 90.8° |
| C14 | C16 | C17 | H10 | 180.0° | 159.9° |
| C14 | C16 | C17 | H11 | 60.0° | 40.5° |
| C14 | C16 | C17 | H12 | 60.0° | 79.8° |
| C14 | RH | C18 | C19 | 154.0° | 160.4° |
| C14 | RH | C18 | CL2 | 28.3° | 2.3° |
| C14 | RH | C18 | CL1 | 124.9° | 121.8° |
| C14 | RH | CL2 | CL1 | 121.7° | 122.7° |
| RH | C14 | C15 | H7 | 92.3° | 61.7° |
| RH | C14 | C15 | H8 | 27.7° | 57.8° |
| RH | C14 | C15 | H9 | 147.7° | 178.0° |
| C17 | C16 | C18 | RH | 114.9° | 119.3° |
| C17 | C16 | C18 | C19 | 12.5° | 0.4° |
| C17 | C16 | RH | CL2 | 63.1° | 73.0° |
| C17 | C16 | RH | CL1 | 29.4° | 21.7° |
| C16 | C17 | H10 | H11 | 120.0° | 120.4° |
| C16 | C17 | H10 | H12 | 120.0° | 120.5° |
| C16 | C17 | H11 | H12 | 120.0° | 120.4° |
| C16 | C18 | C19 | RH | 94.8° | 92.0° |
| C18 | C16 | RH | CL2 | 175.7° | 165.5° |
| C18 | C16 | RH | CL1 | 91.8° | 99.8° |
| C18 | C16 | C17 | H10 | 4.0° | 20.3° |
| C18 | C16 | C17 | H11 | 116.0° | 139.7° |
| C18 | C16 | C17 | H12 | 124.0° | 100.0° |
| C16 | C18 | C19 | H13 | 11.6° | 17.2° |
| C16 | C18 | C19 | H14 | 108.4° | 136.8° |
| C16 | C18 | C19 | H15 | 131.7° | 103.0° |
| C16 | RH | CL2 | CL1 | 91.5° | 95.6° |
| RH | C16 | C17 | H10 | 90.0° | 69.6° |
| RH | C16 | C17 | H11 | 30.0° | 49.9° |
| RH | C16 | C17 | H12 | 150.0° | 170.2° |
| C19 | C18 | RH | CL2 | 125.7° | 158.1° |
| C19 | C18 | RH | CL1 | 29.1° | 38.6° |
| C18 | C19 | H13 | H14 | 120.0° | 120.5° |
| C18 | C19 | H13 | H15 | 120.0° | 120.4° |
| C18 | C19 | H14 | H15 | 120.0° | 120.3° |
| C18 | RH | CL2 | CL1 | 96.5° | 120.7° |
| RH | C18 | C19 | H13 | 83.1° | 109.3° |
| RH | C18 | C19 | H14 | 156.9° | 131.2° |
| RH | C18 | C19 | H15 | 36.9° | 11.0° |
| H1 | C11 | H2 | H3 | 120.1° | 119.0° |
| H4 | C13 | H5 | H6 | 120.0° | 119.1° |
| H7 | C15 | H8 | H9 | 120.0° | 119.0° |
| H10 | C17 | H11 | H12 | 120.0° | 119.0° |
| H13 | C19 | H14 | H15 | 120.0° | 119.0° |
