REMARK  Name = BDB031404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.455  -0.323  -0.946  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        2.746  -1.212  -0.124  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.464  -0.863   0.274  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        0.566  -1.596   1.164  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1       -0.543  -0.803   1.362  0.00  0.00    -0.256 N 
ATOM      6  C   LIG    1       -0.558   0.381   0.493  0.00  0.00    +0.192 C 
ATOM      7  O   LIG    1        0.804  -2.694   1.630  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.840   0.323  -0.099  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        1.533   1.228  -0.889  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.830   0.901  -1.306  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.871   1.638   1.321  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.192   2.120   1.425  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.495   3.245   2.197  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.484   3.899   2.892  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -1.855   5.284   3.842  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.176   3.429   2.833  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.127   2.302   2.062  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  19
ATOM     18  C   LIG    1        5.285  -2.086  -1.391  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        4.877  -0.608  -1.427  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.885   0.221  -0.624  0.00  0.00    +0.046 C 
BRANCH  19  21
ATOM     21  O   LIG    1        4.982  -0.200  -2.798  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1        4.227  -0.595  -3.270  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   6  23
ATOM     23  O   LIG    1       -1.535   0.100  -0.511  0.00  0.00    -0.345 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.595   0.962  -1.638  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.922   0.730  -2.356  0.00  0.00    +0.184 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.058   1.613  -3.462  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -3.252   2.498  -3.107  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
BRANCH   5  28
ATOM     28  C   LIG    1       -1.691  -1.250   2.137  0.00  0.00    +0.166 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.823  -1.813   1.305  0.00  0.00    +0.059 A 
ATOM     30  N   LIG    1       -3.979  -1.096   1.251  0.00  0.00    -0.257 NA
ATOM     31  C   LIG    1       -4.982  -1.598   0.489  0.00  0.00    +0.131 A 
ATOM     32  C   LIG    1       -4.891  -2.781  -0.228  0.00  0.00    +0.059 A 
ATOM     33 CL   LIG    1       -6.207  -3.340  -1.176  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1       -3.708  -3.503  -0.161  0.00  0.00    +0.023 A 
ATOM     35  C   LIG    1       -2.658  -3.016   0.616  0.00  0.00    +0.026 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9