PDC_00312.sdf
  ChemDraw06272410452D

357370  0  0  1  0  0  0  0  0999 V2000
   30.9752   -6.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2421  -11.5104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1088  -12.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0430   -6.7367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9903   -3.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6898   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3329   -0.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8207    2.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4251    6.4198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7007    6.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5999   11.6111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0416    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3082    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4416   13.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.5752   10.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.9533   -5.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2421   -4.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2421   -4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.6644   -4.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.3755   -5.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5310   -6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8199   -6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1088   -6.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5310   -5.3519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1088   -7.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1088   -8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6866   -5.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8199   -9.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8199   -7.4046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.6866   -6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3977   -6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3977   -7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6866  -10.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3977   -9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9752   -9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3977   -9.0469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8199  -11.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8199  -12.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5310  -11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1088  -11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1088  -10.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2641  -11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9752  -11.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2641  -10.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6866  -11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3977  -12.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.6866  -13.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6866  -12.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9752  -12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2534  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6639  -12.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4671  -12.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5530  -11.5104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8028  -11.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6322  -10.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2424   -9.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6804   -9.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8994   -9.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2893   -9.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8513  -10.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.1200   -7.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0703   -9.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2906   -8.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6820   -8.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0716   -9.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7771   -7.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7289   -8.2594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3872   -6.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9479   -8.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2138   -7.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9948   -7.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3859   -7.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6049   -7.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1653   -8.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9463   -8.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5568   -8.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3375   -8.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0445   -5.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4341   -6.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9961   -6.9485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8255   -6.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6005   -3.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8145   -2.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6356   -2.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0461   -3.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6356   -4.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4038   -3.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8145   -4.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5147   -4.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2648   -4.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4357   -5.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4826   -5.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0927   -4.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9222   -4.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8737   -5.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5323   -3.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1894   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9703   -2.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1412   -3.7778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5792   -3.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1034   -0.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1091   -1.9427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.3160   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7353   -2.3108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9422   -2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3615   -2.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5805   -2.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0670   -0.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0188   -1.9177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6771   -0.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2378   -1.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5037   -1.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2847   -1.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6758   -1.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8949   -0.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4553   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2362   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8464   -1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6274   -2.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7256    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1154    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3345    0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2860   -0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7240   -0.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2118    2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3826    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3813    0.6619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8222    2.8596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1636    1.2533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9915    1.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7725    0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4793    3.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8691    3.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4311    2.5639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2603    3.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0355    5.8705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2492    6.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0704    6.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4808    6.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0704    5.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8385    6.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2492    5.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9497    5.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6999    4.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8704    3.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5262    3.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277    4.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3569    5.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9671    6.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3084    4.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1363    4.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9658    5.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9173    4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4051    6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5759    5.7348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6244    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0139    6.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0155    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8447    7.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4548    8.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2843    9.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5033    9.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8931    8.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0637    8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5017    8.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4535    7.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1122    9.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6726    7.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2814    7.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2827    8.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0624    7.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2330    6.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    9.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    8.9058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1590    9.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5502    9.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9898   11.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9400    9.1595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603   10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9413   10.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9340   11.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7373   12.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1480   11.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5984   10.7660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8482   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1371   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1371    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0037    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7149   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0037   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0037   11.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260   11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0037    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7149    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8704   13.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5815   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8704   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8704    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926   10.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8704   12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5815   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371   11.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0257    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965   13.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0257   10.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965   12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8188   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299    8.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299   11.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077   11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8188    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6632   13.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6632   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6632    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410   10.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6632   12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3743   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0854    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0854   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7966   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3743   11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7966   11.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9302   13.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2191   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9302   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9302    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5079   10.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9302   12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6413   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2191   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0635    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3524   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0635   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0635   11.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6413   11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0635    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7746    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3524    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1968   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4857   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1968   12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1968    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7746   10.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4857   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7746   12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3305   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6191   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3305    8.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3305   11.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9080   11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3305    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6191    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7527   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7527   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4638   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0416   10.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4638    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5971   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8860   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5971    8.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5971   11.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1749   11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5971    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8860    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0194   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7305   10.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0194   13.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4416   11.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3082   10.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7305   13.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7305   12.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0194   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4416    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4416    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7305    8.2258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7305    9.8681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.5752    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1527    8.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -25.2863    8.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.8641    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.5752    9.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.8641    7.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -23.8641    9.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1527    9.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.9974    7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.2863    6.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.5752    7.4046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -26.7085    6.9942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -25.2863    6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.7085    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.4196    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.1307    8.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -25.9974    8.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -27.4196    7.4046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -36.6644    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.2421    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.8199    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.3977    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.9752    8.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.1088    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.3755    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.9533    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.5310    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.6866    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.2641    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.3755    7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.6866    7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.9533    7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.5310    7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.1088    7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.6644    6.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.2421    6.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.8199    6.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.3977    6.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.1307    6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.9752    6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.3755    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.6866    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.2641    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.8419    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.4196    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.2641    4.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.9752    4.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.9752    3.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.8199    9.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -35.2421    9.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -30.9752    9.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -31.6866    9.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -29.5530    8.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -29.5530    6.1731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -35.2421    6.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -26.7085    6.1731    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -36.6644    6.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -33.8199    6.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -32.3977    6.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -25.9974    5.7623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -31.6866    4.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -28.8419    4.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -29.5530    4.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0      
 18 25  1  0      
 23 30  1  0      
 27 37  1  0      
 34 46  1  0      
 43 54  1  0      
 56 61  1  0      
 59 68  1  0      
 67 81  1  0      
 79 96  1  0      
 95100  1  0      
 98110  1  0      
109124  1  0      
123130  1  0      
126135  1  0      
133151  1  0      
149156  1  0      
157167  1  0      
166175  1  0      
174185  1  0      
187193  1  0      
191201  1  0      
199209  1  0      
207217  1  0      
215225  1  0      
221232  1  0      
230239  1  0      
238245  1  0      
243253  1  0      
251261  1  0      
257268  1  0      
264274  1  0      
273280  1  0      
276287  1  0      
284294  1  0      
292296  1  0      
295305  1  0      
303311  1  0      
309312  1  0      
 20 17  1  0      
 17 18  1  0      
 18 19  2  0      
 25 22  1  0      
 22 23  1  0      
 23 24  2  0      
 31 28  2  0      
 32 31  1  0      
 33 32  1  0      
 27 26  1  0      
 26 30  1  0      
 26 33  1  6      
 27 29  2  0      
 31  1  1  0      
 38 39  2  0      
 38 40  1  0      
 41 38  1  0      
 42 41  1  0      
 36 34  2  0      
 34 35  1  0      
 35 37  1  0      
 35 42  1  1      
 40  2  1  0      
 49 48  2  0      
 49 47  1  0      
 50 49  1  0      
 45 43  2  0      
 43 44  1  0      
 44 46  1  1      
 44 50  1  0      
 47  3  1  0      
 51 52  1  0      
 55 51  1  0      
 52 53  1  0      
 53 54  1  0      
 54 55  1  0      
 55 56  1  1      
 56 57  2  0      
 64 62  1  1      
 66 65  1  0      
 66 64  1  0      
 58 64  1  0      
 58 61  1  0      
 58 59  1  0      
 59 60  2  0      
 58 63  1  1      
 72 71  1  0      
 74 73  2  0      
 72 74  1  0      
 75 72  2  0      
 76 75  1  0      
 76 77  2  0      
 73 77  1  0      
 78 77  1  0      
 69 67  2  0      
 67 70  1  0      
 70 68  1  0      
 70 78  1  1      
 71  4  1  0      
 85 84  2  0      
 86 85  1  0      
 87 86  2  0      
 84 88  1  0      
 88 83  1  0      
 89 87  1  0      
 89 88  2  0      
 83 90  1  0      
 89 91  1  0      
 90 91  2  0      
 80 79  2  0      
 79 82  1  0      
 82 81  1  0      
 82 92  1  6      
 92 91  1  0      
 83  5  1  0      
 94 93  1  1      
 96 94  1  0      
 94 95  1  0      
 95 97  2  0      
104103  1  0      
104102  1  0      
105104  2  0      
106105  1  0      
107106  1  0      
108107  1  0      
101 98  2  0      
 98 99  1  0      
 99100  1  0      
 99108  1  6      
103  6  1  0      
114113  1  0      
116115  2  0      
114116  1  0      
117114  2  0      
118117  1  0      
118119  2  0      
115119  1  0      
120119  1  0      
111109  2  0      
109112  1  0      
112110  1  0      
112120  1  1      
113  7  1  0      
122121  1  6      
124122  1  0      
122123  1  0      
123125  2  0      
131128  2  0      
132131  1  0      
129126  2  0      
126127  1  0      
127130  1  0      
127132  1  1      
131  8  1  0      
139138  2  0      
140139  1  0      
141140  2  0      
138142  1  0      
142137  1  0      
143141  1  0      
143142  2  0      
137144  1  0      
143145  1  0      
144145  2  0      
134133  2  0      
133136  1  0      
136135  1  0      
136146  1  6      
146145  1  0      
137  9  1  0      
152147  1  0      
152153  1  0      
152154  1  0      
148154  1  1      
148151  1  0      
148149  1  0      
149150  2  0      
160159  1  0      
161160  1  0      
162161  2  0      
163162  1  0      
164163  2  0      
165160  2  0      
165164  1  0      
155159  1  6      
155156  1  0      
155157  1  0      
157158  2  0      
172170  1  1      
172173  1  0      
168166  2  0      
169166  1  0      
169167  1  0      
169172  1  0      
169171  1  6      
170 10  1  0      
180178  1  6      
180181  1  0      
176174  2  0      
177174  1  0      
177175  1  0      
177180  1  0      
177179  1  1      
178 11  1  0      
182183  1  0      
186182  1  0      
183184  1  0      
184185  1  0      
185186  1  0      
186187  1  6      
187188  2  0      
194189  1  0      
194195  1  0      
194196  1  0      
190196  1  1      
190193  1  0      
190191  1  0      
191192  2  0      
202197  1  0      
202203  1  0      
202204  1  0      
198204  1  6      
198201  1  0      
198199  1  0      
199200  2  0      
210205  1  0      
210211  1  0      
210212  1  0      
206212  1  1      
206209  1  0      
206207  1  0      
207208  2  0      
218213  1  0      
218219  1  0      
218220  1  0      
214220  1  6      
214217  1  0      
214215  1  0      
215216  2  0      
226223  2  0      
227226  1  0      
224221  2  0      
221222  1  0      
222225  1  0      
222227  1  1      
226 12  1  0      
233228  1  0      
233234  1  0      
233235  1  0      
229235  1  6      
229232  1  0      
229230  1  0      
230231  2  0      
237236  1  1      
239237  1  0      
237238  1  0      
238240  2  0      
246241  1  0      
246247  1  0      
246248  1  0      
242248  1  6      
242245  1  0      
242243  1  0      
243244  2  0      
254249  1  0      
254255  1  0      
254256  1  0      
250256  1  1      
250253  1  0      
250251  1  0      
251252  2  0      
262259  1  0      
262263  1  0      
260257  2  0      
257258  1  0      
258261  1  0      
258262  1  6      
269266  2  0      
270269  1  0      
267264  2  0      
264265  1  0      
265268  1  0      
265270  1  1      
269 13  1  0      
272271  1  6      
274272  1  0      
272273  1  0      
273275  2  0      
281278  2  0      
282281  1  0      
279276  2  0      
276277  1  0      
277280  1  0      
277282  1  1      
281 14  1  0      
288285  2  0      
289288  1  0      
290289  1  0      
284283  1  0      
283287  1  0      
283290  1  6      
284286  2  0      
288 15  1  0      
294291  1  0      
291292  1  0      
292293  2  0      
301299  1  6      
301302  1  0      
297295  2  0      
298295  1  0      
298296  1  0      
298301  1  0      
298300  1  1      
299 16  1  0      
306303  2  0      
303304  1  0      
304305  1  1      
304307  1  0      
311308  1  0      
308309  1  0      
309310  2  0      
313319  2  0      
313320  1  0      
314320  1  0      
314321  1  0      
314344  2  0      
315318  1  0      
315321  2  0      
315343  1  0      
316318  1  0      
316322  1  0      
317322  1  0      
317323  1  0      
317345  2  0      
318328  2  0      
319324  1  0      
320326  2  0      
321327  1  0      
322325  1  0      
322346  1  6      
323347  1  0      
324329  2  0      
325332  1  0      
326329  1  0      
326330  1  0      
327330  1  0      
327331  2  0      
328331  1  0      
328332  1  0      
329351  1  0      
330349  2  0      
331352  1  0      
332353  1  6      
333338  1  0      
333339  1  0      
334336  1  0      
334337  1  0      
335351  1  0      
336353  1  1      
336355  1  0      
337340  1  0      
337348  1  6      
338348  1  0      
338356  2  0      
339350  1  0      
340341  1  0      
340357  1  6      
341342  1  6      
341355  1  0      
350354  1  0      
354307  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SDS EXP  1   1
M  SAL   1  1  21
M  SBL   1  1   1
M  SMT   1 H
M  SCL   1 LGRP
M  STY  1   2 SUP
M  SLB  1   2   2
M  SDS EXP  1   2
M  SAL   2  1   1
M  SBL   2  1  53
M  SMT   2 OH
M  SCL   2 LGRP
M  STY  1   3 SUP
M  SLB  1   3   3
M  SDS EXP  1   3
M  SAL   3  1   2
M  SBL   3  1  62
M  SMT   3 H
M  SCL   3 LGRP
M  STY  1   4 SUP
M  SLB  1   4   4
M  SDS EXP  1   4
M  SAL   4  1   3
M  SBL   4  1  70
M  SMT   4 H
M  SCL   4 LGRP
M  STY  1   5 SUP
M  SLB  1   5   5
M  SDS EXP  1   5
M  SAL   5  1   4
M  SBL   5  1  98
M  SMT   5 H
M  SCL   5 LGRP
M  STY  1   6 SUP
M  SLB  1   6   6
M  SDS EXP  1   6
M  SAL   6  1   5
M  SBL   6  1 114
M  SMT   6 H
M  SCL   6 LGRP
M  STY  1   7 SUP
M  SLB  1   7   7
M  SDS EXP  1   7
M  SAL   7  1   6
M  SBL   7  1 129
M  SMT   7 H
M  SCL   7 LGRP
M  STY  1   8 SUP
M  SLB  1   8   8
M  SDS EXP  1   8
M  SAL   8  1   7
M  SBL   8  1 142
M  SMT   8 H
M  SCL   8 LGRP
M  STY  1   9 SUP
M  SLB  1   9   9
M  SDS EXP  1   9
M  SAL   9  1   8
M  SBL   9  1 153
M  SMT   9 OH
M  SCL   9 LGRP
M  STY  1  10 SUP
M  SLB  1  10  10
M  SDS EXP  1  10
M  SAL  10  1   9
M  SBL  10  1 169
M  SMT  10 H
M  SCL  10 LGRP
M  STY  1  11 SUP
M  SLB  1  11  11
M  SDS EXP  1  11
M  SAL  11  1  10
M  SBL  11  1 195
M  SMT  11 H
M  SCL  11 LGRP
M  STY  1  12 SUP
M  SLB  1  12  12
M  SDS EXP  1  12
M  SAL  12  1  11
M  SBL  12  1 203
M  SMT  12 H
M  SCL  12 LGRP
M  STY  1  13 SUP
M  SLB  1  13  13
M  SDS EXP  1  13
M  SAL  13  1  12
M  SBL  13  1 245
M  SMT  13 OH
M  SCL  13 LGRP
M  STY  1  14 SUP
M  SLB  1  14  14
M  SDS EXP  1  14
M  SAL  14  1  13
M  SBL  14  1 283
M  SMT  14 OH
M  SCL  14 LGRP
M  STY  1  15 SUP
M  SLB  1  15  15
M  SDS EXP  1  15
M  SAL  15  1  14
M  SBL  15  1 294
M  SMT  15 OH
M  SCL  15 LGRP
M  STY  1  16 SUP
M  SLB  1  16  16
M  SDS EXP  1  16
M  SAL  16  1  15
M  SBL  16  1 302
M  SMT  16 OH
M  SCL  16 LGRP
M  STY  1  17 SUP
M  SLB  1  17  17
M  SDS EXP  1  17
M  SAL  17  1  16
M  SBL  17  1 313
M  SMT  17 H
M  SCL  17 LGRP
M  STY  1  18 SUP
M  SLB  1  18  18
M  SDS EXP  1  18
M  SAL  18  1 312
M  SBL  18  1  39
M  SMT  18 OH
M  SCL  18 LGRP
M  END
$$$$
