REMARK  Name = BDB040474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046   1.411   0.615  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.955   1.466  -0.445  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.219   0.869  -0.344  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.246   1.049  -1.727  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.615   0.179   0.823  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.689   0.145   1.887  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.039  -0.613   3.405  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.425   0.743   1.780  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.978  -0.499   0.953  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.283  -1.477  -0.180  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.428  -2.194  -0.696  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.601  -1.589  -0.553  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.793  -2.250  -1.293  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.702  -1.088   0.094  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.837  -1.417  -0.238  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.437  -0.195   1.282  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.104   0.524   1.146  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.322   2.018   0.480  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.461   1.560  -0.623  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        2.189   1.148  -0.276  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.020   0.149  -0.223  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.849   2.707  -0.411  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        5.707   1.092  -1.674  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        4.340   0.486  -1.303  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1        3.666   0.005  -2.599  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.519  -0.637  -0.320  0.00  0.00    +0.139 A 
ATOM     27  O   LIG    1        3.579  -1.638  -0.309  0.00  0.00    -0.446 OA
ATOM     28  C   LIG    1        4.001  -2.479   0.675  0.00  0.00    +0.308 A 
ATOM     29  N   LIG    1        5.092  -2.100   1.298  0.00  0.00    -0.224 NA
ATOM     30  C   LIG    1        5.430  -0.927   0.674  0.00  0.00    +0.156 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5