1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate (SB3) Summary
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- 1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate (SB3) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | -67.376 | Rigid |
| 2 | C1.1-C2.2-N7.7-C6.65-6-1-0 C1.6-C2.7-N7.2-C6.1 | 64.804 | Rigid |
| 3 | C1.1-C2.2-N7.7-C8.109-6-1-0 C1.10-C2.7-N7.2-C8.1 | -91.764 | Flexible |
| 4 | C1.1-O2.9-C15.19-C16.2019-18-8-0 C1.20-O2.19-C15.9-C16.1 | -93.458 | Flexible |
| 5 | C1.1-O2.9-C15.19-C24.2827-18-8-0 C1.28-O2.19-C15.9-C24.1 | 144.372 | Flexible |
| 6 | C2.2-C1.1-O2.9-C15.1918-8-0-1 C2.19-C1.9-O2.1-C15.2 | -171.826 | Rigid |
| 7 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -60.821 | Rigid Ring |
| 8 | C2.2-N7.7-C6.6-C5.54-5-6-1 C2.5-N7.6-C6.7-C5.2 | 66.16 | Flexible Ring |
| 9 | C2.2-N7.7-C8.10-O3.1110-9-6-1 C2.11-N7.10-C8.7-O3.2 | -11.04 | Rigid |
| 10 | C2.2-N7.7-C8.10-C9.1211-9-6-1 C2.12-N7.10-C8.7-C9.2 | 173.074 | Rigid |
| 11 | C3.3-C2.2-N7.7-C6.65-6-1-2 C3.6-C2.7-N7.2-C6.3 | -60.96 | Rigid Ring |
| 12 | C3.3-C2.2-N7.7-C8.109-6-1-2 C3.10-C2.7-N7.2-C8.3 | 142.472 | Flexible |
| 13 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | 54.083 | Rigid Ring |
| 14 | C4.4-C3.3-C2.2-N7.76-1-2-3 C4.7-C3.2-C2.3-N7.4 | 61.162 | Rigid Ring |
| 15 | C4.4-C5.5-C6.6-N7.76-5-4-3 C4.7-C5.6-C6.5-N7.4 | -58.754 | Flexible Ring |
| 16 | C5.5-C6.6-N7.7-C8.109-6-5-4 C5.10-C6.7-N7.6-C8.5 | -138.265 | Flexible |
| 17 | C6.6-N7.7-C8.10-O3.1110-9-6-5 C6.11-N7.10-C8.7-O3.6 | -164.763 | Rigid |
| 18 | C6.6-N7.7-C8.10-C9.1211-9-6-5 C6.12-N7.10-C8.7-C9.6 | 19.351 | Rigid |
| 19 | N7.7-C8.10-C9.12-O4.1312-11-9-6 N7.13-C8.12-C9.10-O4.7 | 72.618 | Flexible |
| 20 | N7.7-C8.10-C9.12-C10.1413-11-9-6 N7.14-C8.12-C9.10-C10.7 | -112.705 | Flexible |
| 21 | O1.8-C1.1-C2.2-C3.32-1-0-7 O1.3-C1.2-C2.1-C3.8 | -38.879 | Flexible |
| 22 | O1.8-C1.1-C2.2-N7.76-1-0-7 O1.7-C1.2-C2.1-N7.8 | -158.733 | Flexible |
| 23 | O1.8-C1.1-O2.9-C15.1918-8-0-7 O1.19-C1.9-O2.1-C15.8 | 3.883 | Rigid |
| 24 | O2.9-C1.1-C2.2-C3.32-1-0-8 O2.3-C1.2-C2.1-C3.9 | 136.818 | Flexible |
| 25 | O2.9-C1.1-C2.2-N7.76-1-0-8 O2.7-C1.2-C2.1-N7.9 | 16.964 | Flexible |
| 26 | O2.9-C15.19-C16.20-C17.2120-19-18-8 O2.21-C15.20-C16.19-C17.9 | 167.998 | Flexible |
| 27 | O2.9-C15.19-C24.28-C25.2928-27-18-8 O2.29-C15.28-C24.19-C25.9 | -89.591 | Flexible |
| 28 | O2.9-C15.19-C24.28-C29.3332-27-18-8 O2.33-C15.28-C24.19-C29.9 | 92.975 | Flexible |
| 29 | C8.10-C9.12-C10.14-C11.1514-13-11-9 C8.15-C9.14-C10.12-C11.10 | 59.518 | Flexible |
| 30 | C8.10-C9.12-C10.14-C13.1716-13-11-9 C8.17-C9.14-C10.12-C13.10 | -59.071 | Flexible |
| 31 | C8.10-C9.12-C10.14-C14.1817-13-11-9 C8.18-C9.14-C10.12-C14.10 | 179.294 | Flexible |
| 32 | O3.11-C8.10-C9.12-O4.1312-11-9-10 O3.13-C8.12-C9.10-O4.11 | -103.291 | Flexible |
| 33 | O3.11-C8.10-C9.12-C10.1413-11-9-10 O3.14-C8.12-C9.10-C10.11 | 71.385 | Flexible |
| 34 | C9.12-C10.14-C11.15-C12.1615-14-13-11 C9.16-C10.15-C11.14-C12.12 | 68.248 | Flexible |
| 35 | O4.13-C9.12-C10.14-C11.1514-13-11-12 O4.15-C9.14-C10.12-C11.13 | -125.875 | Flexible |
| 36 | O4.13-C9.12-C10.14-C13.1716-13-11-12 O4.17-C9.14-C10.12-C13.13 | 115.536 | Flexible |
| 37 | O4.13-C9.12-C10.14-C14.1817-13-11-12 O4.18-C9.14-C10.12-C14.13 | -6.099 | Flexible |
| 38 | C12.16-C11.15-C10.14-C13.1716-13-14-15 C12.17-C11.14-C10.15-C13.16 | -169.01 | Flexible |
| 39 | C12.16-C11.15-C10.14-C14.1817-13-14-15 C12.18-C11.14-C10.15-C14.16 | -54.507 | Flexible |
| 40 | C15.19-C16.20-C17.21-C18.2221-20-19-18 C15.22-C16.21-C17.20-C18.19 | -139.321 | Flexible |
| 41 | C15.19-C24.28-C25.29-C26.3029-28-27-18 C15.30-C24.29-C25.28-C26.19 | -177.081 | Rigid |
| 42 | C15.19-C24.28-C29.33-C28.3231-32-27-18 C15.32-C24.33-C29.28-C28.19 | 176.992 | Rigid |
| 43 | C16.20-C15.19-C24.28-C25.2928-27-18-19 C16.29-C15.28-C24.19-C25.20 | 152.648 | Flexible |
| 44 | C16.20-C15.19-C24.28-C29.3332-27-18-19 C16.33-C15.28-C24.19-C29.20 | -24.785 | Flexible |
| 45 | C16.20-C17.21-C18.22-C19.2322-21-20-19 C16.23-C17.22-C18.21-C19.20 | -91.981 | Flexible |
| 46 | C16.20-C17.21-C18.22-C23.2726-21-20-19 C16.27-C17.22-C18.21-C23.20 | 76.343 | Flexible |
| 47 | C17.21-C16.20-C15.19-C24.2827-18-19-20 C17.28-C16.19-C15.20-C24.21 | -74.314 | Flexible |
| 48 | C17.21-C18.22-C19.23-C20.2423-22-21-20 C17.24-C18.23-C19.22-C20.21 | 166.978 | Rigid |
| 49 | C17.21-C18.22-C23.27-C22.2625-26-21-20 C17.26-C18.27-C23.22-C22.21 | -166.89 | Rigid |
| 50 | C18.22-C19.23-C20.24-C21.2524-23-22-21 C18.25-C19.24-C20.23-C21.22 | 0.436 | Rigid Ring |
| 51 | C18.22-C23.27-C22.26-C21.2524-25-26-21 C18.25-C23.26-C22.27-C21.22 | -0.672 | Rigid Ring |
| 52 | C19.23-C18.22-C23.27-C22.2625-26-21-22 C19.26-C18.27-C23.22-C22.23 | 1.568 | Rigid Ring |
| 53 | C19.23-C20.24-C21.25-C22.2625-24-23-22 C19.26-C20.25-C21.24-C22.23 | 0.477 | Rigid Ring |
| 54 | C20.24-C19.23-C18.22-C23.2726-21-22-23 C20.27-C19.22-C18.23-C23.24 | -1.444 | Rigid Ring |
| 55 | C20.24-C21.25-C22.26-C23.2726-25-24-23 C20.27-C21.26-C22.25-C23.24 | -0.359 | Rigid Ring |
| 56 | C24.28-C25.29-C26.30-C27.3130-29-28-27 C24.31-C25.30-C26.29-C27.28 | -0.263 | Rigid Ring |
| 57 | C24.28-C29.33-C28.32-C27.3130-31-32-27 C24.31-C29.32-C28.33-C27.28 | 0.223 | Rigid Ring |
| 58 | C25.29-C24.28-C29.33-C28.3231-32-27-28 C25.32-C24.33-C29.28-C28.29 | -0.434 | Rigid Ring |
| 59 | C25.29-C26.30-C27.31-C28.3231-30-29-28 C25.32-C26.31-C27.30-C28.29 | 0.04 | Rigid Ring |
| 60 | C26.30-C25.29-C24.28-C29.3332-27-28-29 C26.33-C25.28-C24.29-C29.30 | 0.457 | Rigid Ring |
| 61 | C26.30-C27.31-C28.32-C29.3332-31-30-29 C26.33-C27.32-C28.31-C29.30 | -0.022 | Rigid Ring |
Dihedrals Histogram