Ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (VPX) Summary
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- Ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (VPX) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | CAA.1-CAO.2-OAV.3-CAX.43-2-1-0 CAA.4-CAO.3-OAV.2-CAX.1 | -179.751 | Flexible |
| 2 | CAO.2-OAV.3-CAX.4-OAC.54-3-2-1 CAO.5-OAV.4-CAX.3-OAC.2 | -22.446 | Rigid |
| 3 | CAO.2-OAV.3-CAX.4-NAU.65-3-2-1 CAO.6-OAV.4-CAX.3-NAU.2 | 157.76 | Rigid |
| 4 | OAV.3-CAX.4-NAU.6-CBE.76-5-3-2 OAV.7-CAX.6-NAU.4-CBE.3 | -179.942 | Rigid |
| 5 | CAX.4-NAU.6-CBE.7-CAR.87-6-5-3 CAX.8-NAU.7-CBE.6-CAR.4 | 145.505 | Flexible |
| 6 | CAX.4-NAU.6-CBE.7-CAP.98-6-5-3 CAX.9-NAU.7-CBE.6-CAP.4 | -95.188 | Flexible |
| 7 | OAC.5-CAX.4-NAU.6-CBE.76-5-3-4 OAC.7-CAX.6-NAU.4-CBE.5 | 0.264 | Rigid |
| 8 | NAU.6-CBE.7-CAR.8-CBG.1211-7-6-5 NAU.12-CBE.8-CAR.7-CBG.6 | 179.404 | Flexible |
| 9 | NAU.6-CBE.7-CAP.9-CAQ.109-8-6-5 NAU.10-CBE.9-CAP.7-CAQ.6 | -178.79 | Flexible |
| 10 | CBE.7-CAR.8-CBG.12-CBI.1110-11-7-6 CBE.11-CAR.12-CBG.8-CBI.7 | -59.861 | Rigid Ring |
| 11 | CBE.7-CAR.8-CBG.12-CAS.1312-11-7-6 CBE.13-CAR.12-CBG.8-CAS.7 | -178.763 | Rigid Ring |
| 12 | CBE.7-CAP.9-CAQ.10-CBI.1110-9-8-6 CBE.11-CAP.10-CAQ.9-CBI.7 | 59.414 | Flexible Ring |
| 13 | CAR.8-CBE.7-CAP.9-CAQ.109-8-6-7 CAR.10-CBE.9-CAP.7-CAQ.8 | -59.661 | Flexible Ring |
| 14 | CAR.8-CBG.12-CBI.11-CAQ.109-10-11-7 CAR.10-CBG.11-CBI.12-CAQ.8 | 58.746 | Rigid Ring |
| 15 | CAR.8-CBG.12-CBI.11-CBF.2120-10-11-7 CAR.21-CBG.11-CBI.12-CBF.8 | 177.183 | Rigid Ring |
| 16 | CAP.9-CBE.7-CAR.8-CBG.1211-7-6-8 CAP.12-CBE.8-CAR.7-CBG.9 | 59.946 | Flexible Ring |
| 17 | CAP.9-CAQ.10-CBI.11-CBG.1211-10-9-8 CAP.12-CAQ.11-CBI.10-CBG.9 | -58.707 | Rigid Ring |
| 18 | CAP.9-CAQ.10-CBI.11-CBF.2120-10-9-8 CAP.21-CAQ.11-CBI.10-CBF.9 | -177.199 | Rigid Ring |
| 19 | CAQ.10-CBI.11-CBG.12-CAS.1312-11-10-9 CAQ.13-CBI.12-CBG.11-CAS.10 | 177.723 | Rigid Ring |
| 20 | CAQ.10-CBI.11-CBF.21-CBJ.2019-20-10-9 CAQ.20-CBI.21-CBF.11-CBJ.10 | 175.365 | Rigid Ring |
| 21 | CAQ.10-CBI.11-CBF.21-CAG.2221-20-10-9 CAQ.22-CBI.21-CBF.11-CAG.10 | -61.443 | Rigid |
| 22 | CBI.11-CBF.21-CBJ.20-CBD.1817-19-20-10 CBI.18-CBF.20-CBJ.21-CBD.11 | 64.585 | Rigid Ring |
| 23 | CBI.11-CBF.21-CAG.22-CAF.2322-21-20-10 CBI.23-CBF.22-CAG.21-CAF.11 | 139.583 | Flexible |
| 24 | CBG.12-CBI.11-CBF.21-CBJ.2019-20-10-11 CBG.20-CBI.21-CBF.11-CBJ.12 | 56.416 | Rigid Ring |
| 25 | CBG.12-CBI.11-CBF.21-CAG.2221-20-10-11 CBG.22-CBI.21-CBF.11-CAG.12 | 179.608 | Rigid |
| 26 | CAS.13-CBG.12-CBI.11-CBF.2120-10-11-12 CAS.21-CBG.11-CBI.12-CBF.13 | -63.84 | Rigid Ring |
| 27 | CAY.15-OAW.17-CBD.18-CAB.1918-17-16-14 CAY.19-OAW.18-CBD.17-CAB.15 | 137.404 | Rigid |
| 28 | CAY.15-OAW.17-CBD.18-CBJ.2019-17-16-14 CAY.20-OAW.18-CBD.17-CBJ.15 | 20.693 | Rigid Ring |
| 29 | OAD.16-CAY.15-OAW.17-CBD.1817-16-14-15 OAD.18-CAY.17-OAW.15-CBD.16 | -173.757 | Rigid |
| 30 | OAW.17-CBD.18-CBJ.20-CBF.2120-19-17-16 OAW.21-CBD.20-CBJ.18-CBF.17 | -158.102 | Rigid Ring |
| 31 | CBD.18-CBJ.20-CBF.21-CAG.2221-20-19-17 CBD.22-CBJ.21-CBF.20-CAG.18 | -58.679 | Rigid |
| 32 | CAB.19-CBD.18-CBJ.20-CBF.2120-19-17-18 CAB.21-CBD.20-CBJ.18-CBF.19 | 85.644 | Rigid |
| 33 | CBJ.20-CBF.21-CAG.22-CAF.2322-21-20-19 CBJ.23-CBF.22-CAG.21-CAF.20 | -96.032 | Flexible |
| 34 | CBF.21-CAG.22-CAF.23-CBA.2423-22-21-20 CBF.24-CAG.23-CAF.22-CBA.21 | 176.406 | Flexible |
| 35 | CAG.22-CAF.23-CBA.24-CAK.2524-23-22-21 CAG.25-CAF.24-CBA.23-CAK.22 | -2.91 | Flexible |
| 36 | CAG.22-CAF.23-CBA.24-NAT.2726-23-22-21 CAG.27-CAF.24-CBA.23-NAT.22 | 177.124 | Flexible |
| 37 | CAF.23-CBA.24-CAK.25-CAL.2625-24-23-22 CAF.26-CBA.25-CAK.24-CAL.23 | -179.919 | Rigid |
| 38 | CAF.23-CBA.24-NAT.27-CAM.2827-26-23-22 CAF.28-CBA.27-NAT.24-CAM.23 | 179.948 | Rigid |
| 39 | CBA.24-CAK.25-CAL.26-CBB.2928-25-24-23 CBA.29-CAK.26-CAL.25-CBB.24 | -0.082 | Rigid Ring |
| 40 | CBA.24-NAT.27-CAM.28-CBB.2928-27-26-23 CBA.29-NAT.28-CAM.27-CBB.24 | 0.029 | Rigid Ring |
| 41 | CAK.25-CBA.24-NAT.27-CAM.2827-26-23-24 CAK.28-CBA.27-NAT.24-CAM.25 | -0.019 | Rigid Ring |
| 42 | CAK.25-CAL.26-CBB.29-CAM.2827-28-25-24 CAK.28-CAL.29-CBB.26-CAM.25 | 0.093 | Rigid Ring |
| 43 | CAK.25-CAL.26-CBB.29-CBC.3029-28-25-24 CAK.30-CAL.29-CBB.26-CBC.25 | -179.886 | Rigid |
| 44 | CAL.26-CAK.25-CBA.24-NAT.2726-23-24-25 CAL.27-CAK.24-CBA.25-NAT.26 | 0.045 | Rigid Ring |
| 45 | CAL.26-CBB.29-CAM.28-NAT.2726-27-28-25 CAL.27-CBB.28-CAM.29-NAT.26 | -0.066 | Rigid Ring |
| 46 | CAL.26-CBB.29-CBC.30-CAN.3130-29-28-25 CAL.31-CBB.30-CBC.29-CAN.26 | -151.519 | Flexible |
| 47 | CAL.26-CBB.29-CBC.30-CAJ.3635-29-28-25 CAL.36-CBB.30-CBC.29-CAJ.26 | 28.969 | Flexible |
| 48 | NAT.27-CAM.28-CBB.29-CBC.3029-28-27-26 NAT.30-CAM.29-CBB.28-CBC.27 | 179.913 | Rigid |
| 49 | CAM.28-CBB.29-CBC.30-CAN.3130-29-28-27 CAM.31-CBB.30-CBC.29-CAN.28 | 28.502 | Flexible |
| 50 | CAM.28-CBB.29-CBC.30-CAJ.3635-29-28-27 CAM.36-CBB.30-CBC.29-CAJ.28 | -151.01 | Flexible |
| 51 | CBB.29-CBC.30-CAN.31-CAZ.3231-30-29-28 CBB.32-CBC.31-CAN.30-CAZ.29 | -179.759 | Rigid |
| 52 | CBC.30-CAN.31-CAZ.32-FAE.3332-31-30-29 CBC.33-CAN.32-CAZ.31-FAE.30 | -179.879 | Rigid |
| 53 | CBC.30-CAN.31-CAZ.32-CAI.3433-31-30-29 CBC.34-CAN.32-CAZ.31-CAI.30 | 0.056 | Rigid Ring |
| 54 | CAZ.32-CAN.31-CBC.30-CAJ.3635-29-30-31 CAZ.36-CAN.30-CBC.31-CAJ.32 | -0.242 | Rigid Ring |
Dihedrals Histogram