REMARK  Name = BDB040386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.534   1.075  -0.684  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.282   1.435   0.437  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.550   0.877   0.679  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.349   1.489   2.085  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.108  -0.085  -0.189  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.335  -0.426  -1.328  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        2.892  -1.548  -2.530  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.074   0.137  -1.564  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.473  -0.747   0.008  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.865  -1.076   1.441  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.194  -1.819   2.156  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.011  -0.493   1.926  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.240  -0.722   2.884  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.673   0.594   1.414  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.533   1.177   2.069  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.234   1.076   0.054  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.608  -0.047  -0.751  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.837   1.648  -0.924  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.545  -0.108  -1.297  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.851   0.738  -0.459  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.093   0.727   0.530  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.360  -0.118  -2.513  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.699  -2.067   0.258  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -3.525  -1.070  -0.588  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1       -4.275  -1.903  -1.650  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.467  -0.261   0.315  0.00  0.00    +0.056 A 
ATOM     27  N   LIG    1       -3.960   0.129   1.520  0.00  0.00    -0.259 NA
ATOM     28  C   LIG    1       -4.749   0.859   2.340  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -6.031   1.257   2.018  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.535   0.885   0.780  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.748   0.123  -0.083  0.00  0.00    +0.024 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5