REMARK  Name = BDB009591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.904   1.247   0.035  0.00  0.00    +0.085 C 
ATOM      2  C   LIG    1        1.956  -0.236  -0.321  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        3.030  -0.796  -0.540  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.726  -0.897  -0.308  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.460  -0.192   0.230  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.613   1.241  -0.383  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.744   1.889  -0.726  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.776  -0.962   0.114  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -2.363  -1.245  -1.131  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -3.573  -1.939  -1.209  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.211  -2.353  -0.043  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -5.702  -3.205  -0.140  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.649  -2.079   1.201  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.438  -1.387   1.280  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.474   2.141   0.501  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.015   2.643   1.729  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.842   3.445   2.519  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.260   4.045   4.023  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.134   3.757   2.105  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.604   3.263   0.891  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.781   2.461   0.096  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        3.226   1.942  -0.321  0.00  0.00    +0.110 C 
BRANCH  22  24
ATOM     23  O   LIG    1        4.355   2.451   1.746  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1        4.253   1.716   0.765  0.00  0.00    +0.236 C 
ATOM     25  N   LIG    1        5.043   0.604   0.591  0.00  0.00    -0.197 N 
ATOM     26  H   LIG    1        4.650  -0.206   0.100  0.00  0.00    +0.182 HD
BRANCH  25  27
ATOM     27  O   LIG    1        5.886   0.306   1.693  0.00  0.00    -0.295 OA
ATOM     28  H   LIG    1        5.720   1.062   2.296  0.00  0.00    +0.241 HD
ENDBRANCH  25  27
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  29
ATOM     29  C   LIG    1        0.773  -2.362  -0.358  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.752  -2.842  -1.780  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1        2.029  -3.148  -2.522  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        1.127  -4.270  -2.091  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7