(4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol (EJ4) Summary
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- (4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol (EJ4) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | CAB.1-CAC.2-CAW.18-CAV.1716-17-1-0 CAB.17-CAC.18-CAW.2-CAV.1 | 179.922 | Rigid Ring |
| 2 | CAB.1-CAC.2-CAW.18-CAX.1918-17-1-0 CAB.19-CAC.18-CAW.2-CAX.1 | -0.404 | Rigid Ring |
| 3 | CAB.1-CAC.2-OAD.25-CAE.32-24-1-0 CAB.3-CAC.25-OAD.2-CAE.1 | 159.39 | Rigid Ring |
| 4 | CAB.1-CAZ.21-CAY.20-CAX.1918-19-20-0 CAB.19-CAZ.20-CAY.21-CAX.1 | 0.913 | Rigid Ring |
| 5 | CAC.2-CAB.1-CAZ.21-CAY.2019-20-0-1 CAC.20-CAB.21-CAZ.1-CAY.2 | -0.726 | Rigid Ring |
| 6 | CAC.2-CAW.18-CAV.17-CAE.32-16-17-1 CAC.3-CAW.17-CAV.18-CAE.2 | 22.823 | Rigid Ring |
| 7 | CAC.2-CAW.18-CAV.17-CAP.1312-16-17-1 CAC.13-CAW.17-CAV.18-CAP.2 | 145.464 | Rigid Ring |
| 8 | CAC.2-CAW.18-CAV.17-CAU.1615-16-17-1 CAC.16-CAW.17-CAV.18-CAU.2 | -97.28 | Rigid Ring |
| 9 | CAC.2-CAW.18-CAX.19-CAY.2019-18-17-1 CAC.20-CAW.19-CAX.18-CAY.2 | 0.588 | Rigid Ring |
| 10 | CAC.2-CAW.18-CAX.19-CBA.2726-18-17-1 CAC.27-CAW.19-CAX.18-CBA.2 | -179.538 | Rigid Ring |
| 11 | CAC.2-OAD.25-CAE.3-CAF.43-2-24-1 CAC.4-OAD.3-CAE.25-CAF.2 | -87.47 | Rigid Ring |
| 12 | CAC.2-OAD.25-CAE.3-CAV.1716-2-24-1 CAC.17-OAD.3-CAE.25-CAV.2 | 29.775 | Rigid Ring |
| 13 | CAE.3-CAF.4-CAG.5-CAO.1211-4-3-2 CAE.12-CAF.5-CAG.4-CAO.3 | 5.166 | Rigid Ring |
| 14 | CAE.3-CAF.4-NAN.22-CAM.1110-21-3-2 CAE.11-CAF.22-NAN.4-CAM.3 | 172.529 | Rigid Ring |
| 15 | CAE.3-CAV.17-CAP.13-CAO.1211-12-16-2 CAE.12-CAV.13-CAP.17-CAO.3 | 51.509 | Rigid Ring |
| 16 | CAE.3-CAV.17-CAP.13-CAR.1413-12-16-2 CAE.14-CAV.13-CAP.17-CAR.3 | 174.564 | Rigid Ring |
| 17 | CAE.3-CAV.17-CAP.13-OAQ.2625-12-16-2 CAE.26-CAV.13-CAP.17-OAQ.3 | -69.24 | Rigid |
| 18 | CAE.3-CAV.17-CAU.16-CAT.1514-15-16-2 CAE.15-CAV.16-CAU.17-CAT.3 | 178.841 | Rigid Ring |
| 19 | CAE.3-CAV.17-CAW.18-CAX.1918-17-16-2 CAE.19-CAV.18-CAW.17-CAX.3 | -156.861 | Rigid Ring |
| 20 | CAE.3-OAD.25-CAC.2-CAW.1817-1-24-2 CAE.18-OAD.2-CAC.25-CAW.3 | -17.603 | Rigid Ring |
| 21 | CAF.4-CAE.3-CAV.17-CAP.1312-16-2-3 CAF.13-CAE.17-CAV.3-CAP.4 | -33.005 | Rigid Ring |
| 22 | CAF.4-CAE.3-CAV.17-CAU.1615-16-2-3 CAF.16-CAE.17-CAV.3-CAU.4 | -157.349 | Rigid Ring |
| 23 | CAF.4-CAE.3-CAV.17-CAW.1817-16-2-3 CAF.18-CAE.17-CAV.3-CAW.4 | 84.976 | Rigid Ring |
| 24 | CAF.4-CAG.5-CAO.12-CAP.1312-11-4-3 CAF.13-CAG.12-CAO.5-CAP.4 | 14.414 | Rigid Ring |
| 25 | CAF.4-NAN.22-CAM.11-CAL.109-10-21-3 CAF.10-NAN.11-CAM.22-CAL.4 | -178.902 | Rigid Ring |
| 26 | CAG.5-CAF.4-CAE.3-CAV.1716-2-3-4 CAG.17-CAF.3-CAE.4-CAV.5 | 4.688 | Rigid Ring |
| 27 | CAG.5-CAF.4-CAE.3-OAD.2524-2-3-4 CAG.25-CAF.3-CAE.4-OAD.5 | 113.792 | Rigid Ring |
| 28 | CAG.5-CAF.4-NAN.22-CAM.1110-21-3-4 CAG.11-CAF.22-NAN.4-CAM.5 | -1.301 | Rigid Ring |
| 29 | CAG.5-CAO.12-CAP.13-CAR.1413-12-11-4 CAG.14-CAO.13-CAP.12-CAR.5 | -159.349 | Rigid Ring |
| 30 | CAG.5-CAO.12-CAP.13-CAV.1716-12-11-4 CAG.17-CAO.13-CAP.12-CAV.5 | -40.317 | Rigid Ring |
| 31 | CAG.5-CAO.12-CAP.13-OAQ.2625-12-11-4 CAG.26-CAO.13-CAP.12-OAQ.5 | 82.393 | Rigid |
| 32 | CAI.7-CAJ.8-CAK.9-CAL.109-8-7-6 CAI.10-CAJ.9-CAK.8-CAL.7 | -2.349 | Rigid Ring |
| 33 | CAJ.8-CAK.9-CAL.10-CAM.1110-9-8-7 CAJ.11-CAK.10-CAL.9-CAM.8 | 0.731 | Rigid Ring |
| 34 | CAK.9-CAL.10-CAM.11-NAN.2221-10-9-8 CAK.22-CAL.11-CAM.10-NAN.9 | -179.614 | Rigid Ring |
| 35 | CAO.12-CAG.5-CAF.4-NAN.2221-3-4-11 CAO.22-CAG.4-CAF.5-NAN.12 | 179.171 | Rigid Ring |
| 36 | CAO.12-CAP.13-CAR.14-NAS.2322-13-12-11 CAO.23-CAP.14-CAR.13-NAS.12 | -168.873 | Rigid Ring |
| 37 | CAO.12-CAP.13-CAR.14-CBA.2726-13-12-11 CAO.27-CAP.14-CAR.13-CBA.12 | 67.109 | Rigid Ring |
| 38 | CAO.12-CAP.13-CAV.17-CAU.1615-16-12-11 CAO.16-CAP.17-CAV.13-CAU.12 | 178.43 | Rigid Ring |
| 39 | CAO.12-CAP.13-CAV.17-CAW.1817-16-12-11 CAO.18-CAP.17-CAV.13-CAW.12 | -63.348 | Rigid Ring |
| 40 | CAP.13-CAR.14-NAS.23-CAT.1514-22-13-12 CAP.15-CAR.23-NAS.14-CAT.13 | -66.84 | Rigid Ring |
| 41 | CAP.13-CAR.14-NAS.23-CBB.2827-22-13-12 CAP.28-CAR.23-NAS.14-CBB.13 | 169.118 | Rigid |
| 42 | CAP.13-CAR.14-CBA.27-CAX.1918-26-13-12 CAP.19-CAR.27-CBA.14-CAX.13 | 22.804 | Rigid Ring |
| 43 | CAP.13-CAV.17-CAE.3-OAD.2524-2-16-12 CAP.25-CAV.3-CAE.17-OAD.13 | -147.992 | Rigid Ring |
| 44 | CAP.13-CAV.17-CAU.16-CAT.1514-15-16-12 CAP.15-CAV.16-CAU.17-CAT.13 | 50.47 | Rigid Ring |
| 45 | CAP.13-CAV.17-CAW.18-CAX.1918-17-16-12 CAP.19-CAV.18-CAW.17-CAX.13 | -34.221 | Rigid Ring |
| 46 | CAR.14-CAP.13-CAV.17-CAU.1615-16-12-13 CAR.16-CAP.17-CAV.13-CAU.14 | -58.514 | Rigid Ring |
| 47 | CAR.14-CAP.13-CAV.17-CAW.1817-16-12-13 CAR.18-CAP.17-CAV.13-CAW.14 | 59.708 | Rigid Ring |
| 48 | CAR.14-NAS.23-CAT.15-CAU.1615-14-22-13 CAR.16-NAS.15-CAT.23-CAU.14 | 55.816 | Rigid Ring |
| 49 | CAR.14-NAS.23-CBB.28-CBC.2928-27-22-13 CAR.29-NAS.28-CBB.23-CBC.14 | -55.945 | Flexible |
| 50 | CAR.14-CBA.27-CAX.19-CAW.1817-18-26-13 CAR.18-CBA.19-CAX.27-CAW.14 | 7.088 | Rigid Ring |
| 51 | CAR.14-CBA.27-CAX.19-CAY.2019-18-26-13 CAR.20-CBA.19-CAX.27-CAY.14 | -173.045 | Rigid Ring |
| 52 | CAT.15-CAU.16-CAV.17-CAW.1817-16-15-14 CAT.18-CAU.17-CAV.16-CAW.15 | -67.249 | Rigid Ring |
| 53 | CAT.15-NAS.23-CAR.14-CBA.2726-13-22-14 CAT.27-NAS.14-CAR.23-CBA.15 | 57.492 | Rigid Ring |
| 54 | CAT.15-NAS.23-CBB.28-CBC.2928-27-22-14 CAT.29-NAS.28-CBB.23-CBC.15 | -178.504 | Flexible |
| 55 | CAU.16-CAT.15-NAS.23-CBB.2827-22-14-15 CAU.28-CAT.23-NAS.15-CBB.16 | -174.684 | Rigid |
| 56 | CAU.16-CAV.17-CAE.3-OAD.2524-2-16-15 CAU.25-CAV.3-CAE.17-OAD.16 | 87.664 | Rigid Ring |
| 57 | CAU.16-CAV.17-CAP.13-OAQ.2625-12-16-15 CAU.26-CAV.13-CAP.17-OAQ.16 | 57.682 | Rigid |
| 58 | CAU.16-CAV.17-CAW.18-CAX.1918-17-16-15 CAU.19-CAV.18-CAW.17-CAX.16 | 83.035 | Rigid Ring |
| 59 | CAV.17-CAE.3-CAF.4-NAN.2221-3-2-16 CAV.22-CAE.4-CAF.3-NAN.17 | -167.947 | Rigid Ring |
| 60 | CAV.17-CAP.13-CAR.14-NAS.2322-13-12-16 CAV.23-CAP.14-CAR.13-NAS.17 | 69.543 | Rigid Ring |
| 61 | CAV.17-CAP.13-CAR.14-CBA.2726-13-12-16 CAV.27-CAP.14-CAR.13-CBA.17 | -54.475 | Rigid Ring |
| 62 | CAV.17-CAU.16-CAT.15-NAS.2322-14-15-16 CAV.23-CAU.15-CAT.16-NAS.17 | -50.599 | Rigid Ring |
| 63 | CAV.17-CAW.18-CAC.2-OAD.2524-1-17-16 CAV.25-CAW.2-CAC.18-OAD.17 | -2.593 | Rigid Ring |
| 64 | CAV.17-CAW.18-CAX.19-CAY.2019-18-17-16 CAV.20-CAW.19-CAX.18-CAY.17 | -179.769 | Rigid Ring |
| 65 | CAV.17-CAW.18-CAX.19-CBA.2726-18-17-16 CAV.27-CAW.19-CAX.18-CBA.17 | 0.105 | Rigid Ring |
| 66 | CAW.18-CAV.17-CAE.3-OAD.2524-2-16-17 CAW.25-CAV.3-CAE.17-OAD.18 | -30.011 | Rigid Ring |
| 67 | CAW.18-CAV.17-CAP.13-OAQ.2625-12-16-17 CAW.26-CAV.13-CAP.17-OAQ.18 | 175.903 | Rigid |
| 68 | CAW.18-CAX.19-CAY.20-CAZ.2120-19-18-17 CAW.21-CAX.20-CAY.19-CAZ.18 | -0.827 | Rigid Ring |
| 69 | CAX.19-CAW.18-CAC.2-OAD.2524-1-17-18 CAX.25-CAW.2-CAC.18-OAD.19 | 177.081 | Rigid Ring |
| 70 | CAX.19-CBA.27-CAR.14-NAS.2322-13-26-18 CAX.23-CBA.14-CAR.27-NAS.19 | -99.911 | Rigid Ring |
| 71 | CAZ.21-CAB.1-CAC.2-CAW.1817-1-0-20 CAZ.18-CAB.2-CAC.1-CAW.21 | 0.458 | Rigid Ring |
| 72 | CAZ.21-CAB.1-CAC.2-OAD.2524-1-0-20 CAZ.25-CAB.2-CAC.1-OAD.21 | -176.348 | Rigid Ring |
| 73 | CAZ.21-CAY.20-CAX.19-CBA.2726-18-19-20 CAZ.27-CAY.19-CAX.20-CBA.21 | 179.304 | Rigid Ring |
| 74 | NAN.22-CAF.4-CAE.3-OAD.2524-2-3-21 NAN.25-CAF.3-CAE.4-OAD.22 | -58.842 | Rigid Ring |
| 75 | NAS.23-CAR.14-CAP.13-OAQ.2625-12-13-22 NAS.26-CAR.13-CAP.14-OAQ.23 | -49.801 | Rigid |
| 76 | NAS.23-CBB.28-CBC.29-CBD.3029-28-27-22 NAS.30-CBB.29-CBC.28-CBD.23 | 99.39 | Flexible |
| 77 | NAS.23-CBB.28-CBC.29-CBE.3130-28-27-22 NAS.31-CBB.29-CBC.28-CBE.23 | 166.39 | Flexible |
| 78 | OAA.24-CAB.1-CAC.2-CAW.1817-1-0-23 OAA.18-CAB.2-CAC.1-CAW.24 | 178.97 | Rigid |
| 79 | OAA.24-CAB.1-CAC.2-OAD.2524-1-0-23 OAA.25-CAB.2-CAC.1-OAD.24 | 2.164 | Rigid |
| 80 | OAA.24-CAB.1-CAZ.21-CAY.2019-20-0-23 OAA.20-CAB.21-CAZ.1-CAY.24 | -179.167 | Rigid |
| 81 | OAQ.26-CAP.13-CAR.14-CBA.2726-13-12-25 OAQ.27-CAP.14-CAR.13-CBA.26 | -173.819 | Rigid |
| 82 | CBA.27-CAR.14-NAS.23-CBB.2827-22-13-26 CBA.28-CAR.23-NAS.14-CBB.27 | -66.551 | Rigid |
| 83 | CBB.28-CBC.29-CBD.30-CBE.3130-29-28-27 CBB.31-CBC.30-CBD.29-CBE.28 | 104.403 | Rigid Ring |
| 84 | CBB.28-CBC.29-CBE.31-CBD.3029-30-28-27 CBB.30-CBC.31-CBE.29-CBD.28 | -109.942 | Rigid Ring |
Dihedrals Histogram