REMARK  Name = BDB053127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.108   2.391   1.705  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.391   1.824   0.903  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.395   0.490   0.548  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1        0.580   0.177  -0.482  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        1.216   1.522  -0.736  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.210   1.886  -1.633  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.614   3.225  -1.663  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.025   4.179  -0.812  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.019   3.810   0.082  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.639   2.481   0.095  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.563  -0.908  -0.061  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.501  -2.197  -0.620  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.386  -3.203  -0.221  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.346  -2.934   0.750  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        4.439  -4.169   1.241  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.422  -1.671   1.330  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.533  -0.668   0.933  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.138  -0.166  -1.654  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.792   0.541  -1.768  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -1.302  -0.500   1.113  0.00  0.00    +0.168 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.516  -0.729   0.261  0.00  0.00    +0.079 A 
ATOM     22  N   LIG    1       -2.700  -1.989  -0.298  0.00  0.00    -0.142 N 
ATOM     23  O   LIG    1       -1.891  -2.947  -0.092  0.00  0.00    -0.164 OA
ATOM     24  C   LIG    1       -3.812  -2.203  -1.104  0.00  0.00    +0.133 A 
ATOM     25  C   LIG    1       -4.743  -1.200  -1.358  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -4.563   0.053  -0.789  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.456   0.291   0.019  0.00  0.00    +0.026 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4