REMARK  Name = BDB047822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.196  -0.935  -0.619  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.286  -0.130  -0.217  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.582  -0.546  -0.537  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.793  -1.732  -1.248  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.718  -2.537  -1.661  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.416  -2.116  -1.334  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.019   1.062   0.499  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.516   1.041   1.900  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.646   2.068   2.136  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.259   3.461   1.819  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.442   4.294   1.629  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.345   3.522   0.656  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.381   2.281  -0.262  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -1.947  -3.782  -2.407  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -2.827  -3.878  -3.474  0.00  0.00    +0.122 A 
ATOM     16  N   LIG    1       -3.072  -5.008  -4.175  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1       -2.387  -6.090  -3.781  0.00  0.00    +0.221 A 
ATOM     18  N   LIG    1       -1.506  -6.139  -2.772  0.00  0.00    -0.243 NA
ATOM     19  C   LIG    1       -1.308  -4.976  -2.111  0.00  0.00    +0.122 A 
ENDBRANCH   5  14
BRANCH   1  21
ATOM     20  C   LIG    1        2.307  -1.037  -0.465  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        1.079  -0.462  -0.245  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.018   0.404   0.289  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        2.536  -2.073  -1.079  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        4.849   1.583   3.110  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        4.698   1.003   1.732  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.561   0.261   1.347  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        2.316  -0.034   2.520  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.468  -0.260   0.042  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1        4.524  -0.072  -0.864  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        5.650   0.653  -0.486  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.725   1.183   0.797  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1        6.821   1.879   1.132  0.00  0.00    -0.205 F 
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 4