REMARK  Name = BDB040390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.794  -0.307  -1.960  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        0.704   1.009  -1.490  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.797   1.627  -0.873  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1        1.572   3.254  -0.328  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.017   0.942  -0.703  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.089  -0.384  -1.171  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.995  -0.999  -1.789  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.205   1.600  -0.006  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        5.562   1.057  -0.441  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        6.046   1.280  -1.549  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        6.217   0.230   0.441  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        7.092  -0.153   0.110  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        5.727  -0.325   1.595  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        6.328  -1.231   2.164  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.386   0.176   2.072  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        4.090   1.563   1.524  0.00  0.00    +0.027 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.402  -0.971  -2.594  0.00  0.00    +0.139 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.376  -0.696  -1.147  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.308  -1.458  -1.577  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.963  -2.204  -0.992  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.713   0.325  -1.748  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -2.291  -1.968   1.099  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.188  -1.262   0.056  0.00  0.00    +0.069 C 
ATOM     24  C   LIG    1       -4.126  -2.332  -0.545  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.924  -0.117   0.776  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.187   0.960   1.302  0.00  0.00    +0.128 A 
ATOM     27  F   LIG    1       -1.851   0.981   1.182  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -3.799   2.023   1.963  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -5.181   2.035   2.116  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -5.939   0.984   1.607  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.319  -0.082   0.943  0.00  0.00    +0.007 A 
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5