REMARK  Name = BDB060552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.050   0.369   0.031  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        2.682   1.703   0.249  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        1.345   2.045   0.474  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        0.956   3.708   0.735  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        0.356   1.060   0.470  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        0.719  -0.275   0.273  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        2.058  -0.615   0.048  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        6.506  -1.008  -0.605  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        5.013  -1.122  -0.420  0.00  0.00    +0.214 C 
ATOM     10  N   LIG    1        4.418   0.106  -0.190  0.00  0.00    -0.286 N 
ATOM     11  H   LIG    1        5.035   0.909  -0.171  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        4.458  -2.214  -0.458  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  O   LIG    1       -0.948   1.422   0.732  0.00  0.00    -0.454 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -1.916   0.908  -0.110  0.00  0.00    +0.136 A 
ATOM     15  C   LIG    1       -2.982   0.165   0.448  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.994  -0.339  -0.411  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.044  -1.093   0.169  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -5.101  -1.340   1.542  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.111  -0.841   2.374  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.900  -0.059  -1.799  0.00  0.00    +0.049 A 
ATOM     21 CL   LIG    1       -5.082  -0.627  -2.934  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -2.848   0.700  -2.321  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -3.064  -0.097   1.833  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -1.859   1.191  -1.478  0.00  0.00    +0.048 A 
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 3