REMARK  Name = BDB006190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.382   0.451  -0.807  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.287   1.375  -0.071  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -0.624   1.992   1.028  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.972   2.931   1.724  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.643   1.294   1.121  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.679   1.317   1.949  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.514   0.375   1.423  0.00  0.00    -0.265 N 
ATOM      8  C   LIG    1        2.032  -0.200   0.251  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.798   0.388   0.083  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.574  -1.465   1.384  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.428  -1.833  -0.068  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -0.885  -0.965  -1.047  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -0.790  -1.441  -2.377  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.214  -2.722  -2.734  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.742  -3.561  -1.766  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.261  -5.143  -2.193  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -1.848  -3.126  -0.448  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.556   1.778  -0.593  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -3.637   2.211   0.210  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.656   2.209   1.717  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1       -4.832   2.648  -0.406  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.994   2.611  -1.786  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.958   2.134  -2.571  0.00  0.00    +0.043 A 
ATOM     24 CL   LIG    1       -4.142   2.064  -4.281  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.759   1.721  -1.987  0.00  0.00    +0.043 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        2.711  -1.230  -0.609  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.730  -2.609   0.046  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        4.092  -0.800  -1.097  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.751   0.124   2.134  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.736   1.274   1.986  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        6.001   0.895   2.524  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        6.565   1.688   2.504  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6