REMARK  Name = BDB013305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779   2.387  -0.639  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.315   2.118   0.384  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        0.977   3.047   0.849  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.477   0.783   0.747  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.564  -0.192   0.332  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.853  -0.102  -1.205  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -0.709   1.339  -1.749  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.343  -1.634   0.790  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.101  -2.142   1.861  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.932  -3.457   2.301  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.002  -4.282   1.675  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.209  -5.900   2.217  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.760  -3.801   0.614  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.589  -2.486   0.173  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -2.208  -0.707  -1.567  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.418  -0.122  -1.160  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.638  -0.714  -1.495  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.107   0.019  -0.981  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.675  -1.891  -2.237  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.482  -2.482  -2.647  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.259  -1.895  -2.314  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -0.701   3.825  -1.165  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        0.500   4.147  -3.226  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        0.523   4.106  -2.004  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.654   4.296  -1.295  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        1.548   4.141  -0.324  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        1.422   0.486   1.832  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.759   0.084   1.209  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        3.731   1.193   0.716  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        4.395   1.154   2.104  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        3.851  -0.279   2.252  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7