REMARK  Name = BDB009647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.659   1.020   0.166  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1        0.099  -0.340   0.442  0.00  0.00    +0.119 C 
ATOM      3  C   LIG    1       -1.434  -0.529   0.239  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -2.189   0.797   0.192  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -1.540   1.793  -0.776  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -2.395   3.084  -0.720  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.127   2.101  -0.263  0.00  0.00    +0.227 C 
ATOM      8  O   LIG    1        0.238   3.280  -0.271  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.838  -1.457  -0.315  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        1.359  -1.264  -1.605  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.003  -2.305  -2.279  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.130  -3.551  -1.672  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        2.918  -4.834  -2.504  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        1.622  -3.764  -0.394  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.981  -2.723   0.282  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.064  -1.457   1.279  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -2.639  -2.672   0.871  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.209  -3.535   1.809  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.904  -5.020   1.288  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.218  -3.204   3.161  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.652  -2.001   3.579  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.080  -1.133   2.646  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  27
ATOM     23  C   LIG    1        5.144   3.063   0.776  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        4.010   2.173   0.818  0.00  0.00    -0.273 N 
ATOM     25  N   LIG    1        4.117   0.988   1.440  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        2.914   0.438   1.255  0.00  0.00    +0.157 A 
ATOM     27  C   LIG    1        2.010   1.276   0.542  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1        2.779   2.389   0.272  0.00  0.00    +0.131 A 
ENDBRANCH   1  27
BRANCH   5  29
ATOM     29  C   LIG    1       -1.512   1.287  -2.233  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.640   2.103  -3.161  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1        0.545   1.870  -3.340  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -1.292   3.092  -3.803  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -2.235   3.186  -3.574  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6