REMARK  Name = BDB040596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.440  -1.944  -0.312  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.742  -1.343   0.148  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.003  -1.133   1.503  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.205  -0.543   1.920  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.413  -0.385   3.633  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.184  -0.125   0.993  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.908  -0.354  -0.373  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -5.016   0.054  -1.640  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.706  -0.948  -0.783  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.479   0.531   1.469  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.764   1.875   0.802  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.886   2.693   0.535  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.087   2.181   0.585  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.262   3.081   0.158  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -8.188   1.543   1.096  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -9.307   2.039   1.006  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.934   0.262   1.852  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -6.671  -0.427   1.362  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        0.664  -0.687  -2.140  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        0.442  -0.914  -0.798  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.960  -0.352  -0.126  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.123  -1.377  -3.004  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        1.552   0.528  -2.473  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        1.765   0.593  -4.000  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        0.812   1.814  -2.051  0.00  0.00    +0.029 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.245   0.271  -0.371  0.00  0.00    -0.009 A 
ATOM     27  C   LIG    1        5.163   0.137  -1.740  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        4.010   0.211  -2.432  0.00  0.00    -0.239 NA
ATOM     29  C   LIG    1        2.880   0.426  -1.729  0.00  0.00    +0.143 A 
ATOM     30  N   LIG    1        2.856   0.556  -0.381  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        4.039   0.479   0.262  0.00  0.00    +0.118 A 
BRANCH  26  32
ATOM     32  C   LIG    1        6.538   0.161   0.371  0.00  0.00    +0.066 C 
BRANCH  32  33
ATOM     33  C   LIG    1        6.853  -1.281   0.771  0.00  0.00    +0.164 C 
BRANCH  33  35
ATOM     34  C   LIG    1        8.157  -1.053   2.748  0.00  0.00    +0.193 C 
ATOM     35  O   LIG    1        8.147  -1.380   1.365  0.00  0.00    -0.383 OA
ENDBRANCH  33  35
ENDBRANCH  32  33
ENDBRANCH  26  32
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 8