REMARK  Name = BDB040460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.241  -1.841   1.499  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.024  -0.853   2.099  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.136  -0.314   1.436  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        2.970   0.950   2.280  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        2.513  -0.758   0.150  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.694  -1.737  -0.451  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        1.968  -2.320  -2.060  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        0.581  -2.268   0.213  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.725  -0.197  -0.592  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.015  -0.223   0.226  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.303  -1.130   1.004  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.907   0.796  -0.009  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.762   0.763   0.530  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        5.872   1.732  -1.011  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        6.818   2.489  -1.206  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.655   1.716  -1.904  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        3.435   1.196  -1.161  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.999  -2.365   2.176  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.919  -1.796   0.741  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -2.126  -1.524   1.843  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.116  -0.580   2.204  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.870  -2.871   0.148  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.906  -0.522   1.486  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1       -3.878  -0.644   0.340  0.00  0.00    +0.072 C 
ATOM     25  C   LIG    1       -4.667  -1.042  -0.927  0.00  0.00    +0.026 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.071   0.630   0.037  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -3.313   1.873   0.632  0.00  0.00    +0.130 A 
ATOM     28  F   LIG    1       -4.302   2.034   1.521  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -2.537   2.999   0.341  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -1.486   2.912  -0.566  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -1.220   1.695  -1.180  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -2.005   0.581  -0.881  0.00  0.00    +0.130 A 
ATOM     33  F   LIG    1       -1.705  -0.569  -1.499  0.00  0.00    -0.205 F 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5