REMARK  Name = BDB040628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.213  -1.883  -0.203  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.496  -1.097  -0.239  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -2.108  -0.791  -1.462  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.284  -0.029  -1.509  0.00  0.00    +0.048 A 
ATOM      5 CL   LIG    1       -3.967   0.254  -3.073  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.878   0.463  -0.334  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.253   0.134   0.877  0.00  0.00    +0.129 A 
ATOM      8  F   LIG    1       -3.790   0.529   2.040  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.083  -0.621   0.934  0.00  0.00    +0.044 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.153   1.294  -0.363  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -5.203   2.394   0.692  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.438   3.357   0.676  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.124   2.254   1.702  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.115   2.982   2.402  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.841   1.133   2.032  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.466   1.068   3.087  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.759  -0.029   1.073  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -6.426   0.439  -0.334  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.497  -0.868  -1.676  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        0.917  -1.015  -0.433  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.238  -0.436   0.336  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.133  -1.526  -2.649  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.620   0.187  -1.756  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        3.188   0.243  -3.191  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        2.004   1.575  -1.468  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.544  -0.788   1.207  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        4.632   0.189   1.405  0.00  0.00    -0.148 NA
ATOM     28  N   LIG    1        3.719   0.495   0.427  0.00  0.00    -0.153 NA
ATOM     29  C   LIG    1        3.709  -0.174  -0.749  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        4.613  -1.208  -0.963  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        5.544  -1.516   0.026  0.00  0.00    +0.033 A 
BRANCH  26  33
ATOM     32  C   LIG    1        6.859   0.067   3.202  0.00  0.00    +0.092 C 
ATOM     33  C   LIG    1        6.524  -1.120   2.312  0.00  0.00    +0.289 C 
ATOM     34  F   LIG    1        6.059  -2.124   3.115  0.00  0.00    -0.199 F 
ATOM     35  F   LIG    1        7.712  -1.592   1.815  0.00  0.00    -0.199 F 
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6