anti Anabasine  B3P86/6-31G(3d,3p) opt structure
 
 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 C,4,B4,3,A3,2,D2,0
 N,5,B5,4,A4,3,D3,0
 H,6,B6,5,A5,4,D4,0
 H,3,B7,2,A6,1,D5,0
 H,3,B8,2,A7,1,D6,0
 H,1,B9,6,A8,5,D7,0
 H,2,B10,1,A9,6,D8,0
 H,2,B11,1,A10,6,D9,0
 H,4,B12,3,A11,2,D10,0
 H,4,B13,3,A12,2,D11,0
 H,5,B14,4,A13,3,D12,0
 H,5,B15,4,A14,3,D13,0
 C,1,B16,6,A15,5,D14,0
 C,17,B17,1,A16,6,D15,0
 C,17,B18,1,A17,6,D16,0
 N,18,B19,17,A18,1,D17,0
 H,18,B20,17,A19,1,D18,0
 C,19,B21,17,A20,1,D19,0
 H,19,B22,17,A21,1,D20,0
 C,20,B23,18,A22,17,D21,0
 H,22,B24,19,A23,17,D22,0
 H,24,B25,20,A24,18,D23,0
      Variables:
 B1=1.53367922
 B2=1.52595084
 B3=1.52620762
 B4=1.52158357
 B5=1.45718261
 B6=1.01447109
 B7=1.09809801
 B8=1.09437373
 B9=1.10831315
 B10=1.09588902
 B11=1.09448099
 B12=1.09574549
 B13=1.09443551
 B14=1.09360598
 B15=1.10674078
 B16=1.50626983
 B17=1.39716899
 B18=1.39114404
 B19=1.33232767
 B20=1.08733296
 B21=1.38802383
 B22=1.08688189
 B23=1.3335328
 B24=1.08451408
 B25=1.08776904
 A1=111.11476478
 A2=110.80122893
 A3=110.25325631
 A4=109.79499332
 A5=110.13520855
 A6=109.21661298
 A7=110.26563024
 A8=111.28491774
 A9=108.10630912
 A10=109.24033761
 A11=109.80375647
 A12=110.68499509
 A13=110.59753419
 A14=108.84542629
 A15=110.43761587
 A16=121.23224396
 A17=121.53239075
 A18=124.21834519
 A19=119.23814082
 A20=119.37644049
 A21=119.97787713
 A22=117.34633802
 A23=121.21442802
 A24=116.09851378
 D1=53.16593674
 D2=-53.0381217
 D3=56.74406187
 D4=175.1607265
 D5=-67.14571714
 D6=176.17821255
 D7=-56.27393717
 D8=64.93126605
 D9=-178.75041205
 D10=66.80217574
 D11=-174.79430507
 D12=176.21830324
 D13=-66.25509128
 D14=-175.86123699
 D15=-41.87398815
 D16=139.47713739
 D17=-178.436565
 D18=2.30360456
 D19=178.29578112
 D20=-1.94721662
 D21=0.05583192
 D22=179.84167069
 D23=179.9592448
 
 
  anabasine_anti_zm.html
  Last modified: 1 Aug 2010