
  Mrv2314 07102411252D          

299303  0  0  1  0            999 V2000
   -0.6874  -20.9753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -9.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827   -7.6036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -2.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204    1.6845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204   10.2583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6704   11.6873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827   18.1174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1954   20.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364  -19.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435  -18.8914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4982  -18.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463  -17.4937    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7955  -19.5046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816  -19.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747  -18.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773  -18.6214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2197  -17.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844  -18.4498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395  -20.3620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5366  -18.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846  -19.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1775  -19.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6407  -17.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335  -17.5667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5788  -16.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2816  -18.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717  -16.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277  -14.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757  -15.3845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5169  -15.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2348  -14.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308  -16.1691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689  -15.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8139  -14.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730  -12.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882  -12.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882  -13.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730  -13.9868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577  -13.3195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4827  -13.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954  -14.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954  -11.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827  -11.8904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4827  -10.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954  -12.6049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577  -10.4615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204  -11.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454  -11.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577  -11.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1954   -9.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327  -10.4615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7204   -9.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -9.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204  -11.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3704   -9.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   -9.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577  -10.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -7.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   -8.3179    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1327   -9.0324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   -7.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   -6.1745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   -7.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204   -6.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -6.8891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577   -7.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   -7.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -8.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -6.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   -5.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -5.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   -6.8891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -3.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   -4.0312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6577   -3.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   -3.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -4.7457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   -3.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -4.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1954   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -1.8878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7204   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -1.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   -2.6022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3704   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   -0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   -1.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204    0.2557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9577    0.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -0.4588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454    0.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454    1.6845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204    3.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    2.3991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3704    1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    3.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204    1.6845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577    2.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3704    3.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577    5.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204    4.5425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1327    5.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577    5.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    3.8279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827    5.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    5.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    4.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577    6.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    6.6858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7204    7.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204    5.9716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    7.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    9.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204    8.8295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9577    9.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    8.1149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577    9.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454    8.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   10.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827    9.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    8.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   11.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   10.9727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7204   10.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   11.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8454   13.1161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8454   11.6873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4327   12.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6077   12.4015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1954   11.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3704   11.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   10.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   13.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   13.1161    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4827   12.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   13.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   12.4015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   13.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   13.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   15.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   15.2594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7204   15.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   14.5452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   15.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   18.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   17.4031    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1327   16.6886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   18.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   19.5465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   18.1174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204   18.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   18.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577   18.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   18.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   17.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   20.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   18.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   20.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   19.5465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3704   20.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3077   19.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577   19.5465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3704   18.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   20.9753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -0.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9555   -2.8740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744   -4.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4606   -4.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463  -14.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5391   -0.1137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9579   -1.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   -4.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0544   -6.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3790   -1.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482  -13.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859  -15.6291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8920   -9.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3969  -11.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882  -14.1744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8942   -7.6474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6533  -16.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1011   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409   -1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6946   -1.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7808   -2.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620   -1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5344   -3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1157   -1.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2019   -2.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793   -6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418   -3.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3766   -2.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7955   -4.0299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2142   -5.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6333   -6.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629   -3.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253   -0.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0441   -2.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3007   -6.1558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7195   -7.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013  -15.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163  -16.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671  -14.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4731   -7.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3107  -10.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7295  -11.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013  -16.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2344  -13.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6533  -15.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1406   -7.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5593   -8.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9782   -9.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157  -12.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859  -16.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9193  -17.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7476  -16.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608  -16.2332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1454  -16.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9525  -16.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5045  -16.9299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494  -17.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210  -18.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8079  -19.0734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0233  -18.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2163  -18.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642  -18.3768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573  -18.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023  -19.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543  -19.9461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9794  -19.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640  -20.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3772  -19.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9356  -20.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3113  -16.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8633  -17.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6085  -18.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704  -17.1998    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1892  -15.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8024  -14.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5869  -15.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308  -14.0673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.7068    9.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933   10.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1234    9.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7537    7.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   10.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3266    9.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173    5.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131   10.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5869    6.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9569    8.0179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0035    6.0545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7434    8.8149    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1796    4.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2065    6.2680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6823    0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447    3.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259    4.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4365    7.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585    4.3612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9518    7.0524    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0257    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518    8.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612    0.7805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4236    3.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0048    4.6968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5861    6.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938    0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    2.9063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9186    5.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996    6.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671    8.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0025    3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800   -0.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837    4.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350    2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163    4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785    6.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3838    6.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3734    7.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9464    9.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6235    5.6845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    0.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1772    3.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8425    2.0859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671    7.3075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3374    4.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    1.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    5.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7460    7.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599    0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7901  -15.3125    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
 10 19  1  0  0  0  0
 16 27  1  0  0  0  0
 26 33  1  0  0  0  0
 29 39  1  0  0  0  0
 41 46  1  0  0  0  0
 43 55  1  0  0  0  0
 53 61  1  0  0  0  0
 59 73  1  0  0  0  0
 71 78  1  0  0  0  0
 74 85  1  0  0  0  0
 83 92  1  0  0  0  0
 89102  1  0  0  0  0
 98109  1  0  0  0  0
107116  1  0  0  0  0
115121  1  0  0  0  0
118129  1  0  0  0  0
127142  1  0  0  0  0
138148  1  0  0  0  0
147152  1  0  0  0  0
150162  1  0  0  0  0
161169  1  0  0  0  0
 15 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 22 21  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 18 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  1  0  0  0
 17 23  1  0  0  0  0
 20  1  1  0  0  0  0
 25 24  1  1  0  0  0
 27 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 28  2  0  0  0  0
 34 31  1  0  0  0  0
 34 35  1  0  0  0  0
 32 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  6  0  0  0
 36 37  1  0  0  0  0
 40 36  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  6  0  0  0
 41 42  2  0  0  0  0
 49 48  2  0  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
 45 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 46  1  0  0  0  0
 44 50  1  6  0  0  0
 47  2  1  0  0  0  0
 56 51  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 52 58  1  1  0  0  0
 52 55  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 65 64  1  0  0  0  0
 65 63  1  0  0  0  0
 66 65  2  0  0  0  0
 67 66  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 62 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 69  1  6  0  0  0
 64  3  1  0  0  0  0
 73 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  2  0  0  0  0
 79 76  2  0  0  0  0
 80 79  1  0  0  0  0
 77 74  2  0  0  0  0
 74 75  1  0  0  0  0
 75 78  1  0  0  0  0
 75 80  1  6  0  0  0
 79  4  1  0  0  0  0
 86 81  1  0  0  0  0
 86 87  1  0  0  0  0
 86 88  1  0  0  0  0
 82 88  1  1  0  0  0
 82 85  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  2  0  0  0  0
 93 94  2  0  0  0  0
 93 95  1  0  0  0  0
 96 93  1  0  0  0  0
 97 96  1  0  0  0  0
 91 89  2  0  0  0  0
 89 90  1  0  0  0  0
 90 92  1  0  0  0  0
 90 97  1  6  0  0  0
 95  5  1  0  0  0  0
103100  1  0  0  0  0
103104  1  0  0  0  0
101 98  2  0  0  0  0
 98 99  1  0  0  0  0
 99102  1  0  0  0  0
 99103  1  1  0  0  0
110105  1  0  0  0  0
110111  1  0  0  0  0
110112  1  0  0  0  0
106112  1  6  0  0  0
106109  1  0  0  0  0
106107  1  0  0  0  0
107108  2  0  0  0  0
114113  1  1  0  0  0
116114  1  0  0  0  0
114115  1  0  0  0  0
115117  2  0  0  0  0
122123  2  0  0  0  0
122124  1  0  0  0  0
125122  1  0  0  0  0
126125  1  0  0  0  0
120118  2  0  0  0  0
118119  1  0  0  0  0
119121  1  0  0  0  0
119126  1  6  0  0  0
124  6  1  0  0  0  0
133132  1  0  0  0  0
133131  1  0  0  0  0
134133  2  0  0  0  0
135134  1  0  0  0  0
136135  1  0  0  0  0
137136  1  0  0  0  0
130127  2  0  0  0  0
127128  1  0  0  0  0
128129  1  0  0  0  0
128137  1  1  0  0  0
132  7  1  0  0  0  0
143140  1  0  0  0  0
143144  1  0  0  0  0
141138  2  0  0  0  0
138139  1  0  0  0  0
139142  1  0  0  0  0
139143  1  6  0  0  0
146145  1  1  0  0  0
148146  1  0  0  0  0
146147  1  0  0  0  0
147149  2  0  0  0  0
156155  1  0  0  0  0
156154  1  0  0  0  0
157156  2  0  0  0  0
158157  1  0  0  0  0
159158  1  0  0  0  0
160159  1  0  0  0  0
153150  2  0  0  0  0
150151  1  0  0  0  0
151152  1  0  0  0  0
151160  1  6  0  0  0
155  8  1  0  0  0  0
167165  1  1  0  0  0
167168  1  0  0  0  0
163161  2  0  0  0  0
164161  1  0  0  0  0
164162  1  0  0  0  0
164167  1  0  0  0  0
164166  1  6  0  0  0
165  9  1  0  0  0  0
188170  2  0  0  0  0
188171  1  0  0  0  0
189171  1  0  0  0  0
190189  1  0  0  0  0
191190  1  0  0  0  0
192190  2  0  0  0  0
193191  2  0  0  0  0
194192  1  0  0  0  0
195172  1  0  0  0  0
195193  1  0  0  0  0
195194  2  0  0  0  0
197172  1  0  0  0  0
197173  2  0  0  0  0
199178  1  6  0  0  0
199197  1  0  0  0  0
200174  2  0  0  0  0
200178  1  0  0  0  0
201196  1  0  0  0  0
202198  1  0  0  0  0
202199  1  0  0  0  0
203176  1  0  0  0  0
203177  1  0  0  0  0
203180  2  0  0  0  0
204177  1  0  0  0  0
204198  1  0  0  0  0
205179  1  1  0  0  0
205200  1  0  0  0  0
205201  1  0  0  0  0
206201  1  0  0  0  0
207175  2  0  0  0  0
207182  1  0  0  0  0
208207  1  0  0  0  0
211184  1  0  0  0  0
212184  1  0  0  0  0
213208  1  0  0  0  0
214181  1  0  0  0  0
214185  2  0  0  0  0
214209  1  0  0  0  0
215182  1  0  0  0  0
215209  1  0  0  0  0
216179  1  0  0  0  0
216186  2  0  0  0  0
216210  1  0  0  0  0
217183  1  0  0  0  0
217210  1  0  0  0  0
218183  1  0  0  0  0
218211  1  0  0  0  0
219181  1  0  0  0  0
219212  1  0  0  0  0
220182  1  0  0  0  0
220187  2  0  0  0  0
220213  1  0  0  0  0
 13213  1  0  0  0  0
221222  1  0  0  0  0
222223  1  0  0  0  0
223224  1  0  0  0  0
224225  1  0  0  0  0
225226  1  0  0  0  0
226227  1  0  0  0  0
227228  1  0  0  0  0
228229  1  0  0  0  0
229230  1  0  0  0  0
230231  1  0  0  0  0
231232  1  0  0  0  0
221232  1  0  0  0  0
232233  1  0  0  0  0
233234  1  0  0  0  0
234235  2  0  0  0  0
229236  1  0  0  0  0
236237  1  0  0  0  0
237238  2  0  0  0  0
237239  1  0  0  0  0
226240  1  0  0  0  0
240241  1  0  0  0  0
241242  2  0  0  0  0
241243  1  0  0  0  0
223244  1  0  0  0  0
244245  1  0  0  0  0
245246  2  0  0  0  0
245247  1  0  0  0  0
 14234  1  0  0  0  0
248249  1  0  0  0  0
248250  2  0  0  0  0
249252  2  0  0  0  0
250253  1  0  0  0  0
257251  1  1  0  0  0
252255  1  0  0  0  0
253255  2  0  0  0  0
253259  1  0  0  0  0
258254  1  6  0  0  0
256258  1  0  0  0  0
256286  2  0  0  0  0
256287  1  0  0  0  0
257259  1  0  0  0  0
257287  1  0  0  0  0
258261  1  0  0  0  0
259288  1  1  0  0  0
260264  1  0  0  0  0
261267  1  0  0  0  0
261289  1  1  0  0  0
262290  1  0  0  0  0
266263  1  6  0  0  0
264266  1  0  0  0  0
267265  1  1  0  0  0
265269  1  0  0  0  0
266272  1  0  0  0  0
267293  1  0  0  0  0
268289  1  0  0  0  0
269279  1  0  0  0  0
270274  1  0  0  0  0
270275  1  0  0  0  0
270290  1  1  0  0  0
271276  1  0  0  0  0
271291  2  0  0  0  0
271294  1  0  0  0  0
272277  1  0  0  0  0
272294  1  6  0  0  0
273277  1  0  0  0  0
273278  1  0  0  0  0
274281  1  0  0  0  0
275292  1  0  0  0  0
275295  2  0  0  0  0
276280  1  0  0  0  0
276292  1  1  0  0  0
277296  1  0  0  0  0
278293  1  0  0  0  0
278297  2  0  0  0  0
279293  1  0  0  0  0
280283  1  0  0  0  0
280284  1  0  0  0  0
282294  1  0  0  0  0
285296  1  0  0  0  0
290188  1  0  0  0  0
274298  1  0  0  0  0
M  CHG  3 243  -1 247  -1 299   2
M  ISO  1 299  64
M  STY  8   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP   6 SUP   7 SUP   8 SUP
M  STY  2   9 SUP  10 SUP
M  SAL   1  1   1
M  SBL   1  1  34
M  SMT   1 H
M  SAP   1  1   1  20  1
M  SDS EXP  1   1
M  SAL   2  1   2
M  SBL   2  1  59
M  SMT   2 H
M  SAP   2  1   2  47  1
M  SDS EXP  1   2
M  SAL   3  1   3
M  SBL   3  1  77
M  SMT   3 H
M  SAP   3  1   3  64  1
M  SDS EXP  1   3
M  SAL   4  1   4
M  SBL   4  1  87
M  SMT   4 OH
M  SAP   4  1   4  79  1
M  SDS EXP  1   4
M  SAL   5  1   5
M  SBL   5  1 103
M  SMT   5 H
M  SAP   5  1   5  95  1
M  SDS EXP  1   5
M  SAL   6  1   6
M  SBL   6  1 129
M  SMT   6 H
M  SAP   6  1   6 124  1
M  SDS EXP  1   6
M  SAL   7  1   7
M  SBL   7  1 140
M  SMT   7 H
M  SAP   7  1   7 132  1
M  SDS EXP  1   7
M  SAL   8  1   8
M  SBL   8  1 161
M  SMT   8 H
M  SAP   8  1   8 155  1
M  SDS EXP  1   8
M  SAL   9  1 169
M  SBL   9  1  21
M  SMT   9 OH
M  SAP   9  1 169 161  1
M  SDS EXP  1   9
M  SAL  10  1   9
M  SBL  10  1 169
M  SMT  10 H
M  SAP  10  1   9 165  1
M  SDS EXP  1  10
M  END
$$$$
