REMARK  Name = BDB040536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.191  -1.213  -2.393  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.052  -0.705  -1.712  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.908   0.193  -2.353  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.046   0.694  -1.702  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -4.036   1.761  -2.643  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.357   0.326  -0.375  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.491  -0.597   0.250  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -2.768  -1.199   1.850  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.358  -1.096  -0.407  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.574   0.876   0.367  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.658   2.401   0.360  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.670   3.131   0.421  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.921   2.944   0.364  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.965   3.954   0.373  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.115   2.294   0.546  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.162   2.920   0.688  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.056   0.790   0.652  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.875   0.230  -0.125  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.177  -0.988  -0.939  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.354  -0.486  -1.931  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.395   0.497  -2.159  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.006  -2.119  -0.487  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.094   0.530  -1.633  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.288  -0.028  -0.442  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        2.586   1.149   0.274  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.280  -0.741   0.502  0.00  0.00    +0.060 A 
ATOM     27  N   LIG    1        4.578  -0.108   1.668  0.00  0.00    -0.215 NA
ATOM     28  C   LIG    1        5.475  -0.761   2.423  0.00  0.00    +0.248 A 
ATOM     29  C   LIG    1        6.123  -1.957   2.140  0.00  0.00    +0.129 A 
ATOM     30  N   LIG    1        6.973  -2.292   3.163  0.00  0.00    -0.214 NA
ATOM     31  C   LIG    1        6.807  -1.303   4.014  0.00  0.00    +0.311 A 
ATOM     32  C   LIG    1        5.827  -2.583   0.930  0.00  0.00    +0.035 A 
ATOM     33  O   LIG    1        5.923  -0.336   3.641  0.00  0.00    -0.424 OA
ATOM     34  C   LIG    1        4.891  -1.947   0.106  0.00  0.00    +0.027 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5