REMARK  Name = BDB061328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.700   1.745  -0.556  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.423   1.202  -1.446  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.157   0.765   0.666  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.179  -0.218   0.778  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.975  -0.082   0.083  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.734   1.051  -0.707  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -2.709   2.056  -0.772  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -3.912   1.917  -0.078  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.317   0.674   1.378  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -6.176  -1.577   0.908  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.393  -0.066   0.759  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.672   0.299  -0.707  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.638   0.329   1.569  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -8.425  -0.424   2.123  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.851   1.664   1.625  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.640   1.753   2.198  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        1.153   0.774   0.391  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.110  -0.126   0.019  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.526  -0.979   1.044  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.498  -1.955   0.811  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        4.085  -2.079  -0.451  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.642  -1.246  -1.484  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.667  -0.268  -1.251  0.00  0.00    +0.048 A 
BRANCH  21  24
ATOM     24  N   LIG    1        5.041  -3.082  -0.699  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        6.270  -2.843  -0.565  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        6.712  -1.567  -0.169  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        7.059  -0.608  -1.130  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        7.531   0.649  -0.742  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        7.676   0.944   0.612  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        8.255   2.491   1.091  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        7.364  -0.009   1.580  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        6.893  -1.265   1.187  0.00  0.00    +0.031 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10