REMARK  Name = BDB063649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.708   1.808  -0.227  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1        2.788   0.365   0.100  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.760  -0.543   0.243  0.00  0.00    +0.172 A 
ATOM      4  O   LIG    1        2.280  -1.771   0.509  0.00  0.00    -0.354 OA
ATOM      5  N   LIG    1        3.655  -1.695   0.569  0.00  0.00    -0.071 NA
ATOM      6  C   LIG    1        3.970  -0.410   0.332  0.00  0.00    +0.193 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.309  -0.495   0.162  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.480   0.312   0.991  0.00  0.00    +0.052 A 
ATOM      9 CL   LIG    1        0.199   1.301   2.240  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.877   0.324   0.854  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.540  -0.464  -0.103  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -1.731  -1.274  -0.917  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -0.337  -1.294  -0.789  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.047  -0.480  -0.283  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -4.976  -0.369   0.902  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -4.876   0.765  -0.078  0.00  0.00    +0.009 C 
ENDBRANCH  11  14
ENDBRANCH   3   7
BRANCH   6  17
ATOM     17  C   LIG    1        5.354   0.056   0.322  0.00  0.00    +0.359 C 
ATOM     18  O   LIG    1        5.709   1.209   0.112  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  O   LIG    1        6.292  -0.892   0.566  0.00  0.00    -0.476 OA
ATOM     20  H   LIG    1        7.137  -0.402   0.524  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4