PDC_00150.sdf
  ChemDraw06272410212D

353367  0  0  1  0  0  0  0  0999 V2000
   -4.4840   -0.3637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1976    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245    0.8723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109    1.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1976    2.5201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7704    2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0568    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3435    2.5201    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299    2.1080    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163    2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2027    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106    2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    2.1080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377    2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377    3.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513    3.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944    4.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5685    4.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824    3.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0565    3.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9739    4.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6050    4.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    2.5201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918    2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054    2.1080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2889    2.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7730    1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2889    1.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054    1.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918    0.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918    0.0484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2187    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6459    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3592   -0.3637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0728    0.0484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6459    0.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2187   -1.5994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918   -1.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782    1.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918    3.3440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513    1.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2289    3.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9467    2.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7302    2.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3425    3.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9546    2.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6682    2.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4971    3.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6776    3.7866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6776    4.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3425    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0091    5.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7617    5.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4283    5.9965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1809    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7302    5.9145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9467    6.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272    6.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136    5.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    5.0045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7581    4.1985    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    3.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782  -11.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782  -10.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918   -9.8384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918   -9.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054   -8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054   -7.7788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2187   -7.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2187   -6.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -6.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6459   -6.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3592   -6.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0728   -6.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7864   -6.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -6.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2133   -6.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2133   -5.3071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9269   -4.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6405   -5.3071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9269   -4.0711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6405   -3.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0728   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7864   -7.7788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3592   -7.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6459   -7.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810   -9.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5793   -9.1121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9394   -8.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2150   -8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3627   -7.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3439   -6.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1255   -5.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6806   -3.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9906   -2.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8074   -2.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3089   -2.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1259   -2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6274   -1.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4444   -1.5977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9459   -0.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0448   -1.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8418    0.2033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3879    1.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991    2.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7984    3.8205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7162    4.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1280    5.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9519    5.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3640    6.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1879    6.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5997    6.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1879    7.5636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4236    6.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8357    7.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4893    5.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1595    5.8248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7714    6.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725    5.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100    5.6190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303    5.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182    5.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4943    5.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    6.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    6.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535    7.1909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763    4.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5873    3.2645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0489    4.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562    6.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8189    6.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4127    3.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8687   -1.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390   -5.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6268   -8.9119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810  -10.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646   -9.8384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8727    6.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0667    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5154    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7094    6.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1581    5.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    6.1557    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    5.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7699    5.6419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2186    5.0295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8120    7.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0328    6.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4833    4.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3612    1.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840    1.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6853    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3163    1.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1733    1.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8044    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5787    0.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7218    1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0904    2.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1976    0.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245   -0.7755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381   -1.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -1.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -0.7755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4786   -1.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1922   -1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -2.8354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -3.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -4.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -4.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381   -5.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -5.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4786   -4.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4786   -4.8950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1922   -5.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9057   -4.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6191   -5.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3717   -4.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9233   -5.5841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7425   -5.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5112   -6.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7052   -6.1263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1922   -6.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4786   -6.5428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4786   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1922   -7.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9057   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6191   -7.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3326   -7.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0462   -7.7788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6191   -8.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -7.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -8.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -9.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381   -8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245   -9.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109   -8.6027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1976   -9.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -9.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381  -10.2505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381  -11.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245  -11.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245  -12.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109  -12.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109  -13.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245  -13.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245  -14.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381  -15.1939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381  -16.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245  -16.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517  -16.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517  -17.2535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1976  -12.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840  -12.7222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7704  -12.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7704  -11.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0568  -11.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0568  -10.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3435   -9.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3435   -9.0145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299   -8.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0568  -12.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3435  -12.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299  -12.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5626  -11.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885   -9.3911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991   -7.2778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3530   -4.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2187   -2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -2.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -3.6593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6459   -4.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6459   -4.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -5.3071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3592   -5.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3592   -3.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0728   -4.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0728   -4.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7864   -3.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6459   -2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163  -12.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2027  -12.7222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106  -12.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925  -11.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6038  -11.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348  -11.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170  -10.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242  -12.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377  -12.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513  -12.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513  -13.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646  -13.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782  -13.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646  -14.7818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646  -12.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646  -11.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782  -12.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242  -13.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163  -11.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0568  -13.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1976  -11.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109  -11.0744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517  -11.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650  -10.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517   -7.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9057   -6.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1922   -3.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381   -2.8354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0517    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9109   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1061   12.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252    8.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131    9.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267   10.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7431   11.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131    9.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6733   12.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5179   13.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3925   14.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1565   13.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5777   11.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6848   12.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4457   12.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491   11.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3418   13.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131   10.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1061   13.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892    9.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5686   14.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3326   13.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0969   12.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252   11.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9774    8.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2382   11.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4742   11.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1565   15.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208   14.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2744   14.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491   12.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8264   12.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0621   11.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2981   11.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535    8.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3326   15.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0969   14.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8609   13.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6802   15.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8468   14.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0539   13.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2280   13.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4742   12.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7099   11.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9459   11.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1674   15.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6237   14.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2981   12.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6237   15.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4692   16.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3373   14.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9564   17.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2840   16.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0666   11.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8609   12.1855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9774   10.0450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   10.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1061   14.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4505   14.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6403   13.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8383   12.6234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7099   10.3729    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6848   13.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4350   13.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5514   15.4555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9430   14.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0470   13.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5338   11.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
 10  9  1  6      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  1      
 19 20  1  0      
 20 21  1  0      
 21 22  2  0      
 20 23  2  0      
 23 24  1  0      
 24 25  2  0      
 22 25  1  0      
 25 26  1  0      
 26 27  1  0      
 18 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 31  1  0      
 31 32  1  0      
 32 33  1  0      
 33 34  1  0      
 34 35  1  0      
 36 35  1  1      
 32 36  1  0      
 36 37  1  0      
 37 38  1  0      
 38 39  1  0      
 39 40  1  1      
 40 41  1  0      
 41 42  1  0      
 42 43  1  0      
 43 44  1  0      
 42 45  2  0      
 39 46  1  0      
 46 47  1  0      
 46 48  2  0      
 37 49  2  0      
 31 50  2  0      
 28 51  2  0      
 16 52  2  0      
 10 53  1  0      
 53 54  1  0      
 54 55  1  0      
 55 56  1  6      
 56 57  1  0      
 57 58  1  0      
 58 59  1  0      
 55 59  1  0      
 59 60  1  0      
 60 61  1  0      
 61 62  1  6      
 62 63  1  0      
 63 64  1  0      
 64 65  1  0      
 61 66  1  0      
 66 67  1  0      
 67 68  1  0      
 68 69  1  0      
 69 70  1  0      
 70 71  1  0      
 71 72  1  0      
 73 72  1  6      
 73 74  1  0      
 74 75  1  0      
 75 76  1  0      
 76 77  1  0      
 77 78  1  0      
 78 79  1  0      
 79 80  1  0      
 80 81  1  0      
 81 82  1  6      
 82 83  1  0      
 84 83  1  1      
 84 85  1  0      
 85 86  1  0      
 86 87  1  0      
 87 88  1  0      
 88 89  2  0      
 89 90  1  0      
 89 91  1  0      
 91 92  1  0      
 84 93  1  0      
 93 94  1  0      
 93 95  2  0      
 82 96  2  0      
 76 97  1  6      
 97 98  1  0      
 98 99  1  0      
 99100  1  0      
100101  1  0      
101102  1  0      
102103  1  0      
103104  1  0      
104105  1  0      
105106  1  6      
106107  1  0      
107108  1  0      
108109  1  0      
109110  1  0      
110111  1  0      
105112  1  0      
112113  1  0      
113114  1  0      
114115  1  0      
115116  1  0      
116117  1  0      
117118  1  6      
118119  1  0      
119120  1  0      
120121  1  0      
121122  2  0      
122123  1  0      
122124  1  0      
124125  1  0      
117126  1  0      
126127  1  0      
127128  1  0      
128129  1  0      
129130  1  0      
130131  1  0      
131132  1  6      
132133  1  0      
133134  1  0      
134135  1  0      
135136  1  0      
131137  1  0      
137138  1  0      
 15138  1  1      
137139  2  0      
129140  2  0      
126141  2  0      
115142  2  0      
112143  2  0      
103144  2  0      
100145  2  0      
 97146  2  0      
 74147  2  0      
 68148  1  1      
148149  1  0      
149150  1  0      
150151  1  0      
151152  1  0      
152153  1  0      
153154  1  0      
150155  1  6      
155156  1  0      
149157  2  0      
 67158  2  0      
 60159  2  0      
 54160  2  0      
  9161  2  0      
  7162  1  6      
162163  1  0      
163164  2  0      
164165  1  0      
165166  2  0      
166167  1  0      
167168  2  0      
163168  1  0      
  6169  2  0      
  4170  1  6      
  4171  1  0      
171172  1  0      
172173  1  0      
173174  1  1      
173175  1  0      
175176  1  6      
175177  1  0      
177178  1  0      
173179  1  0      
179180  1  0      
180181  1  0      
181182  1  1      
182183  1  0      
183184  1  0      
183185  2  0      
181186  1  0      
186187  1  0      
187188  1  0      
188189  1  6      
189190  1  0      
190191  2  0      
191192  1  0      
192193  1  0      
192194  1  0      
194195  2  0      
190195  1  0      
188196  1  0      
196197  1  0      
197198  1  0      
198199  1  6      
199200  1  0      
200201  1  0      
201202  1  0      
202203  1  0      
201204  2  0      
198205  1  0      
205206  1  0      
206207  1  0      
207208  1  1      
208209  1  0      
209210  1  0      
210211  1  0      
207212  1  0      
212213  1  0      
213214  1  0      
214215  1  0      
215216  1  0      
216217  1  0      
217218  1  6      
218219  1  0      
219220  1  0      
220221  1  0      
221222  2  0      
222223  1  0      
222224  1  0      
224225  1  0      
217226  1  0      
226227  1  0      
227228  1  0      
228229  1  1      
229230  1  0      
230231  1  0      
231232  1  0      
232233  1  0      
233234  1  0      
228235  1  0      
235236  1  0      
236237  1  0      
237238  1  6      
238239  1  0      
239240  1  0      
240241  1  0      
241242  1  0      
 47242  1  0      
242243  1  6      
243244  1  0      
244245  1  0      
245246  1  0      
246247  1  0      
 81247  1  0      
246248  2  0      
245249  1  1      
249250  1  0      
250251  1  0      
250252  1  0      
243253  2  0      
237254  1  0      
254255  1  0      
255256  1  0      
256257  1  1      
257258  1  0      
258259  1  0      
258260  2  0      
256261  1  0      
261262  1  0      
262263  1  0      
263264  1  6      
264265  1  0      
265266  1  0      
265267  2  0      
263268  1  0      
268269  1  0      
 73269  1  0      
268270  2  0      
261271  2  0      
254272  2  0      
235273  2  0      
226274  2  0      
215275  2  0      
214276  1  6      
212277  2  0      
205278  2  0      
196279  2  0      
186280  2  0      
179281  2  0      
171282  2  0      
  3283  1  6      
292284  1  1      
285286  2  0      
285287  1  0      
286302  1  0      
287303  2  0      
300288  1  1      
289295  1  0      
289297  2  0      
300290  1  6      
291297  1  0      
291299  1  0      
292299  1  0      
292301  1  0      
293301  1  0      
293304  1  6      
293342  1  0      
294304  2  0      
294305  1  0      
295338  2  0      
295345  1  0      
296306  1  0      
296339  1  0      
298307  1  0      
298339  1  0      
299344  1  6      
300307  1  0      
300341  1  0      
301342  1  1      
302308  2  0      
303308  1  0      
303340  1  0      
304311  1  0      
305312  2  0      
306347  1  0      
308318  1  0      
315309  1  6      
309316  1  0      
310316  1  0      
310317  2  0      
311319  2  0      
312319  1  0      
312320  1  0      
313323  1  0      
313343  2  0      
313344  1  0      
314321  1  0      
314339  1  0      
315326  1  0      
315345  1  0      
316327  2  0      
317328  1  0      
317346  1  0      
318322  1  0      
320347  1  0      
321347  1  0      
322352  2  0      
323330  1  1      
323349  1  0      
324331  1  0      
324348  2  0      
324349  1  0      
325331  1  0      
325350  1  0      
326350  1  0      
326351  2  0      
327332  1  0      
328332  2  0      
328353  1  0      
329353  1  0      
330334  1  0      
331333  1  1      
331335  1  6      
334336  1  0      
334337  1  0      
340341  1  0      
322136  1  0      
M  END
$$$$
