REMARK  Name = BDB054311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.523   0.568  -0.171  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.172   0.778   1.013  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.519   0.413   1.102  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.207  -0.132   0.004  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        1.482  -0.306  -1.188  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.137   0.059  -1.284  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.656  -0.551   0.103  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        4.753   0.106  -0.711  0.00  0.00    +0.126 C 
ATOM      9 CL   LIG    1        4.428   1.478  -1.761  0.00  0.00    -0.100 Cl
ATOM     10 CL   LIG    1        6.052  -0.929  -1.304  0.00  0.00    -0.100 Cl
ATOM     11  C   LIG    1        4.674   0.346   0.768  0.00  0.00    +0.050 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     12  O   LIG    1       -1.820   0.971  -0.293  0.00  0.00    -0.475 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -2.941  -0.071   1.630  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -2.831   0.016   0.102  0.00  0.00    +0.200 C 
ATOM     15  C   LIG    1       -2.668  -1.384  -0.508  0.00  0.00    +0.067 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -4.141   0.603  -0.447  0.00  0.00    +0.348 C 
ATOM     17  O   LIG    1       -5.161   0.842   0.183  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.113   0.844  -1.778  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -4.987   1.245  -1.964  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 5