REMARK  Name = BDB040537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.089  -1.263  -1.046  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.786  -1.845   0.016  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -3.140  -1.558   0.232  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.867  -2.320   1.608  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.851  -0.677  -0.612  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.122  -0.070  -1.658  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.814   1.096  -2.736  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.766  -0.362  -1.870  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.331  -0.391  -0.368  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -6.205  -0.579  -1.605  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -6.016  -1.464  -2.437  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.296   0.251  -1.715  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -7.876   0.106  -2.531  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.813   1.089  -0.760  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.900   1.637  -0.919  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.022   1.224   0.517  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.540   0.985   0.276  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.373  -1.556  -1.252  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.702  -1.026   0.769  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.182  -0.666  -0.457  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.405   0.251  -0.831  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.526  -2.145   1.248  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.478   1.206   1.891  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.475   0.090   1.511  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        3.047  -0.478   2.828  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.581   0.603   0.609  0.00  0.00    +0.098 A 
ATOM     27  N   LIG    1        3.316   1.524  -0.332  0.00  0.00    -0.082 NA
ATOM     28  O   LIG    1        4.509   1.756  -0.987  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1        5.485   0.972  -0.456  0.00  0.00    +0.141 A 
ATOM     30  C   LIG    1        4.945   0.218   0.557  0.00  0.00    +0.072 A 
BRANCH  29  31
ATOM     31  C   LIG    1        6.952   0.974  -0.964  0.00  0.00    +0.058 C 
ATOM     32  C   LIG    1        8.090   0.742  -0.007  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        7.735  -0.310  -1.020  0.00  0.00    +0.012 C 
ENDBRANCH  29  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6