REMARK  Name = BDB062937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.048  -0.212  -0.490  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.392  -0.384  -0.259  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.993   0.253   0.808  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.330   1.037   1.500  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.016  -1.120  -1.348  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.145  -1.656  -2.171  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.234  -0.611  -1.955  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.492  -0.015   1.123  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.880   0.683   2.458  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -4.075  -0.101   2.976  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -3.786  -1.544   2.591  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.675  -1.497   1.538  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.405   0.521   0.007  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -4.431  -0.240  -0.579  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.230   0.298  -1.591  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -6.472  -0.664  -2.296  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.034   1.601  -2.037  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.031   2.376  -1.464  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.228   1.843  -0.453  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     20  O   LIG    1        1.320  -2.073   1.035  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        1.862  -1.133   0.437  0.00  0.00    +0.239 C 
ATOM     22  N   LIG    1        3.207  -1.013   0.591  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        3.575  -1.720   1.218  0.00  0.00    +0.156 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.221  -0.166   0.146  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1        5.420  -0.546   0.635  0.00  0.00    -0.229 NA
ATOM     26  C   LIG    1        6.479   0.208   0.268  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        6.376   1.311  -0.561  0.00  0.00    +0.084 A 
ATOM     28  N   LIG    1        7.651   1.791  -0.684  0.00  0.00    -0.275 N 
ATOM     29  H   LIG    1        7.964   2.596  -1.215  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1        8.573   1.080  -0.004  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1        5.151   1.713  -1.074  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1        7.850   0.116   0.579  0.00  0.00    +0.162 A 
ATOM     33  C   LIG    1        4.053   0.931  -0.693  0.00  0.00    +0.046 A 
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 4