ORS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.50Å | 1.50Å | |
| C10 | C12 | sing | 1.41Å | 1.41Å | |
| C10 | C18 | sing | 1.45Å | 1.45Å | |
| C10 | RH | sing | 2.14Å | 2.14Å | |
| C12 | C13 | sing | 1.50Å | 1.50Å | |
| C12 | C14 | sing | 1.46Å | 1.46Å | |
| C12 | RH | sing | 2.17Å | 2.17Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C16 | sing | 1.40Å | 1.40Å | |
| C14 | RH | sing | 2.22Å | 2.22Å | |
| C16 | C17 | sing | 1.50Å | 1.50Å | |
| C16 | C18 | sing | 1.44Å | 1.44Å | |
| C16 | RH | sing | 2.20Å | 2.20Å | |
| C18 | C19 | sing | 1.50Å | 1.50Å | |
| C18 | RH | sing | 2.14Å | 2.14Å | |
| RH | CL2 | sing | 2.43Å | 2.43Å | |
| RH | CL1 | sing | 2.43Å | 2.43Å | |
| C11 | H1 | sing | 1.10Å | 1.10Å | |
| C11 | H2 | sing | 1.10Å | 1.10Å | |
| C11 | H3 | sing | 1.10Å | 1.10Å | |
| C13 | H4 | sing | 1.10Å | 1.10Å | |
| C13 | H5 | sing | 1.10Å | 1.10Å | |
| C13 | H6 | sing | 1.10Å | 1.10Å | |
| C15 | H7 | sing | 1.10Å | 1.10Å | |
| C15 | H8 | sing | 1.10Å | 1.10Å | |
| C15 | H9 | sing | 1.10Å | 1.10Å | |
| C17 | H10 | sing | 1.10Å | 1.10Å | |
| C17 | H11 | sing | 1.10Å | 1.10Å | |
| C17 | H12 | sing | 1.10Å | 1.10Å | |
| C19 | H13 | sing | 1.10Å | 1.10Å | |
| C19 | H14 | sing | 1.10Å | 1.10Å | |
| C19 | H15 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C12 | 127.4° | 127.4° |
| C11 | C10 | C18 | 125.0° | 125.0° |
| C11 | C10 | RH | 124.7° | 124.7° |
| C10 | C11 | H1 | 109.5° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.5° |
| C10 | C11 | H3 | 109.4° | 109.5° |
| C12 | C10 | C18 | 107.6° | 107.6° |
| C12 | C10 | RH | 72.2° | 72.2° |
| C10 | C12 | C13 | 123.6° | 123.6° |
| C10 | C12 | C14 | 108.2° | 108.2° |
| C10 | C12 | RH | 69.5° | 69.5° |
| C18 | C10 | RH | 70.2° | 70.2° |
| C10 | C18 | C16 | 107.7° | 107.7° |
| C10 | C18 | C19 | 129.3° | 129.3° |
| C10 | C18 | RH | 70.2° | 70.2° |
| C10 | RH | C12 | 38.3° | 38.3° |
| C10 | RH | C14 | 64.4° | 64.4° |
| C10 | RH | C16 | 65.0° | 65.0° |
| C10 | RH | C18 | 39.6° | 39.6° |
| C10 | RH | CL2 | 139.5° | 139.5° |
| C10 | RH | CL1 | 126.7° | 126.7° |
| C13 | C12 | C14 | 127.7° | 127.7° |
| C13 | C12 | RH | 130.1° | 130.1° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.4° | 109.4° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C14 | C12 | RH | 72.6° | 72.6° |
| C12 | C14 | C15 | 124.4° | 124.4° |
| C12 | C14 | C16 | 108.1° | 108.1° |
| C12 | C14 | RH | 68.7° | 68.7° |
| C12 | RH | C14 | 38.7° | 38.7° |
| C12 | RH | C16 | 63.8° | 63.8° |
| C12 | RH | C18 | 64.8° | 64.8° |
| C12 | RH | CL2 | 101.6° | 101.6° |
| C12 | RH | CL1 | 153.8° | 153.8° |
| C15 | C14 | C16 | 127.5° | 127.5° |
| C15 | C14 | RH | 126.5° | 126.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.5° |
| C14 | C15 | H9 | 109.4° | 109.4° |
| C16 | C14 | RH | 70.7° | 70.7° |
| C14 | C16 | C17 | 124.2° | 124.2° |
| C14 | C16 | C18 | 108.5° | 108.5° |
| C14 | C16 | RH | 72.5° | 72.5° |
| C14 | RH | C16 | 36.9° | 36.9° |
| C14 | RH | C18 | 63.8° | 63.8° |
| C14 | RH | CL2 | 86.7° | 86.7° |
| C14 | RH | CL1 | 121.8° | 121.8° |
| C17 | C16 | C18 | 127.2° | 127.2° |
| C17 | C16 | RH | 122.4° | 122.4° |
| C16 | C17 | H10 | 109.5° | 109.5° |
| C16 | C17 | H11 | 109.4° | 109.4° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C18 | C16 | RH | 68.3° | 68.3° |
| C16 | C18 | C19 | 122.3° | 122.3° |
| C16 | C18 | RH | 73.0° | 73.0° |
| C16 | RH | C18 | 38.8° | 38.8° |
| C16 | RH | CL2 | 108.5° | 108.5° |
| C16 | RH | CL1 | 90.8° | 90.8° |
| C19 | C18 | RH | 130.4° | 130.4° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | RH | CL2 | 147.1° | 147.1° |
| C18 | RH | CL1 | 91.7° | 91.7° |
| CL2 | RH | CL1 | 92.1° | 92.1° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H1 | C11 | H3 | 109.5° | 109.4° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.4° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| 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° | 177.8° |
| C11 | C10 | C12 | RH | 120.5° | 120.5° |
| C11 | C10 | C18 | RH | 119.1° | 119.1° |
| C11 | C10 | C12 | C13 | 4.8° | 4.8° |
| C11 | C10 | C12 | C14 | 176.9° | 176.9° |
| C11 | C10 | RH | C14 | 161.4° | 161.4° |
| C11 | C10 | C18 | C16 | 177.1° | 177.1° |
| C11 | C10 | RH | C16 | 157.7° | 157.7° |
| C11 | C10 | C18 | C19 | 7.4° | 7.4° |
| C11 | C10 | RH | CL2 | 112.7° | 112.7° |
| C11 | C10 | RH | CL1 | 86.9° | 86.9° |
| C10 | C11 | H1 | H2 | 120.0° | 120.0° |
| C10 | C11 | H1 | H3 | 120.0° | 120.0° |
| C10 | C11 | H2 | H3 | 120.0° | 120.0° |
| C12 | C10 | C18 | RH | 63.0° | 63.0° |
| C10 | C12 | C13 | C14 | 170.5° | 170.5° |
| C10 | C12 | C13 | RH | 90.6° | 90.6° |
| C10 | C12 | C14 | RH | 60.7° | 60.7° |
| C10 | C12 | C14 | C15 | 178.8° | 178.8° |
| C10 | C12 | C14 | C16 | 0.7° | 0.7° |
| C12 | C10 | C18 | C16 | 0.9° | 0.9° |
| C10 | C12 | RH | C16 | 82.1° | 82.1° |
| C12 | C10 | C18 | C19 | 170.5° | 170.5° |
| C12 | C10 | RH | CL2 | 10.9° | 10.9° |
| C12 | C10 | RH | CL1 | 149.6° | 149.6° |
| C12 | C10 | C11 | H1 | 180.0° | 180.0° |
| C12 | C10 | C11 | H2 | 60.0° | 60.0° |
| C12 | C10 | C11 | H3 | 60.0° | 60.0° |
| C10 | C12 | C13 | H4 | 180.0° | 180.0° |
| C10 | C12 | C13 | H5 | 60.0° | 60.0° |
| C10 | C12 | C13 | H6 | 60.0° | 60.0° |
| C18 | C10 | C12 | C13 | 173.1° | 173.1° |
| C18 | C10 | C12 | C14 | 1.0° | 1.0° |
| C10 | C18 | C16 | C14 | 0.4° | 0.4° |
| C10 | C18 | RH | C14 | 80.8° | 80.8° |
| C10 | C18 | C16 | C17 | 176.9° | 176.9° |
| C10 | C18 | C16 | C19 | 170.6° | 170.6° |
| C10 | C18 | C16 | RH | 62.0° | 62.0° |
| C10 | C18 | C19 | RH | 96.9° | 96.9° |
| C18 | C10 | RH | CL2 | 127.8° | 127.8° |
| C18 | C10 | RH | CL1 | 32.7° | 32.7° |
| C18 | C10 | C11 | H1 | 2.5° | 2.5° |
| C18 | C10 | C11 | H2 | 117.5° | 117.5° |
| C18 | C10 | C11 | H3 | 122.5° | 122.5° |
| C10 | C18 | C19 | H13 | 180.0° | 180.0° |
| C10 | C18 | C19 | H14 | 60.0° | 60.0° |
| C10 | C18 | C19 | H15 | 60.0° | 60.0° |
| C10 | RH | C14 | C15 | 155.2° | 155.2° |
| C10 | RH | C16 | C14 | 80.0° | 80.0° |
| C10 | RH | C14 | CL2 | 150.7° | 150.7° |
| C10 | RH | C14 | CL1 | 118.8° | 118.8° |
| C10 | RH | C16 | C17 | 160.2° | 160.2° |
| C10 | RH | C16 | CL2 | 136.8° | 136.8° |
| C10 | RH | C16 | CL1 | 130.7° | 130.7° |
| C10 | RH | CL2 | CL1 | 164.4° | 164.4° |
| RH | C10 | C11 | H1 | 86.5° | 86.5° |
| RH | C10 | C11 | H2 | 153.5° | 153.5° |
| RH | C10 | C11 | H3 | 33.5° | 33.5° |
| C13 | C12 | C14 | RH | 127.6° | 127.6° |
| C13 | C12 | C14 | C15 | 7.1° | 7.1° |
| C13 | C12 | C14 | C16 | 172.4° | 172.4° |
| C13 | C12 | RH | C16 | 160.7° | 160.7° |
| C13 | C12 | RH | C18 | 156.1° | 156.1° |
| C13 | C12 | RH | CL2 | 55.6° | 55.6° |
| C13 | C12 | RH | CL1 | 175.9° | 175.9° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H6 | 120.0° | 120.0° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| C12 | C14 | C15 | C16 | 179.4° | 179.4° |
| C12 | C14 | C15 | RH | 87.7° | 87.7° |
| C12 | C14 | C16 | RH | 58.8° | 58.8° |
| C12 | C14 | C16 | C17 | 176.4° | 176.4° |
| C12 | C14 | C16 | C18 | 0.2° | 0.2° |
| C12 | C14 | RH | C18 | 81.6° | 81.6° |
| C14 | C12 | RH | CL2 | 69.4° | 69.4° |
| C14 | C12 | RH | CL1 | 50.9° | 50.9° |
| C14 | C12 | C13 | H4 | 9.5° | 9.5° |
| C14 | C12 | C13 | H5 | 129.5° | 129.5° |
| C14 | C12 | C13 | H6 | 110.5° | 110.5° |
| C12 | C14 | C15 | H7 | 180.0° | 180.0° |
| C12 | C14 | C15 | H8 | 60.0° | 60.0° |
| C12 | C14 | C15 | H9 | 60.0° | 60.0° |
| C12 | RH | C16 | C17 | 157.2° | 157.2° |
| C12 | RH | C18 | C16 | 78.9° | 78.9° |
| C12 | RH | C16 | CL2 | 94.1° | 94.1° |
| C12 | RH | C16 | CL1 | 173.4° | 173.4° |
| C12 | RH | C18 | C19 | 162.8° | 162.8° |
| C12 | RH | C18 | CL2 | 71.4° | 71.4° |
| C12 | RH | C18 | CL1 | 168.0° | 168.0° |
| C12 | RH | CL2 | CL1 | 157.6° | 157.6° |
| RH | C12 | C13 | H4 | 89.4° | 89.4° |
| RH | C12 | C13 | H5 | 30.5° | 30.5° |
| RH | C12 | C13 | H6 | 150.6° | 150.6° |
| C15 | C14 | C16 | RH | 121.8° | 121.8° |
| C15 | C14 | C16 | C17 | 4.1° | 4.1° |
| C15 | C14 | C16 | C18 | 179.3° | 179.3° |
| C15 | C14 | RH | C18 | 160.5° | 160.5° |
| C15 | C14 | RH | CL2 | 4.5° | 4.5° |
| C15 | C14 | RH | CL1 | 85.9° | 85.9° |
| C14 | C15 | H7 | H8 | 120.0° | 120.0° |
| C14 | C15 | H7 | H9 | 120.0° | 120.0° |
| C14 | C15 | H8 | H9 | 120.0° | 120.0° |
| C14 | C16 | C17 | C18 | 176.0° | 176.0° |
| C14 | C16 | C17 | RH | 90.0° | 90.0° |
| C14 | C16 | C18 | RH | 61.6° | 61.6° |
| C14 | C16 | C18 | C19 | 171.0° | 171.0° |
| C16 | C14 | RH | CL2 | 127.4° | 127.4° |
| C16 | C14 | RH | CL1 | 37.0° | 37.0° |
| C16 | C14 | C15 | H7 | 0.6° | 0.6° |
| C16 | C14 | C15 | H8 | 120.6° | 120.6° |
| C16 | C14 | C15 | H9 | 119.4° | 119.4° |
| C14 | C16 | C17 | H10 | 180.0° | 180.0° |
| C14 | C16 | C17 | H11 | 60.0° | 60.0° |
| C14 | C16 | C17 | H12 | 60.0° | 60.0° |
| C14 | RH | C18 | C19 | 154.0° | 154.0° |
| C14 | RH | C18 | CL2 | 28.3° | 28.3° |
| C14 | RH | C18 | CL1 | 124.9° | 124.9° |
| C14 | RH | CL2 | CL1 | 121.7° | 121.7° |
| RH | C14 | C15 | H7 | 92.3° | 92.3° |
| RH | C14 | C15 | H8 | 27.7° | 27.7° |
| RH | C14 | C15 | H9 | 147.7° | 147.7° |
| C17 | C16 | C18 | RH | 114.9° | 114.9° |
| C17 | C16 | C18 | C19 | 12.5° | 12.5° |
| C17 | C16 | RH | CL2 | 63.1° | 63.1° |
| C17 | C16 | RH | CL1 | 29.4° | 29.4° |
| C16 | C17 | H10 | H11 | 120.0° | 120.0° |
| C16 | C17 | H10 | H12 | 120.0° | 120.0° |
| C16 | C17 | H11 | H12 | 120.0° | 120.0° |
| C16 | C18 | C19 | RH | 94.8° | 94.8° |
| C18 | C16 | RH | CL2 | 175.7° | 175.7° |
| C18 | C16 | RH | CL1 | 91.8° | 91.8° |
| C18 | C16 | C17 | H10 | 4.0° | 4.0° |
| C18 | C16 | C17 | H11 | 116.0° | 116.0° |
| C18 | C16 | C17 | H12 | 124.0° | 124.0° |
| C16 | C18 | C19 | H13 | 11.6° | 11.6° |
| C16 | C18 | C19 | H14 | 108.4° | 108.4° |
| C16 | C18 | C19 | H15 | 131.7° | 131.7° |
| C16 | RH | CL2 | CL1 | 91.5° | 91.5° |
| RH | C16 | C17 | H10 | 90.0° | 90.0° |
| RH | C16 | C17 | H11 | 30.0° | 30.0° |
| RH | C16 | C17 | H12 | 150.0° | 150.0° |
| C19 | C18 | RH | CL2 | 125.7° | 125.7° |
| C19 | C18 | RH | CL1 | 29.1° | 29.1° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | RH | CL2 | CL1 | 96.5° | 96.5° |
| RH | C18 | C19 | H13 | 83.1° | 83.1° |
| RH | C18 | C19 | H14 | 156.9° | 156.9° |
| RH | C18 | C19 | H15 | 36.9° | 36.9° |
| H1 | C11 | H2 | H3 | 120.1° | 120.0° |
| H4 | C13 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | H8 | H9 | 120.0° | 120.0° |
| H10 | C17 | H11 | H12 | 120.0° | 120.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
