REMARK  Name = BDB040387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047   0.979  -0.921  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.557   1.792   0.094  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.894   1.681   0.501  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.378   2.724   1.797  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.773   0.753  -0.096  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.231  -0.084  -1.096  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -4.144  -1.332  -1.877  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.892   0.031  -1.500  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.233   0.666   0.347  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -6.229   0.749  -0.807  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -6.061   1.466  -1.791  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.394   0.034  -0.661  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -8.053   0.108  -1.425  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.862  -0.587   0.468  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -9.002  -1.040   0.517  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.939  -0.600   1.662  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.482  -0.560   1.232  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.394   1.089  -1.337  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.615   0.455  -0.512  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.241   0.336  -0.441  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.826  -0.429   0.071  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.138   1.260  -1.280  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.039  -0.057   1.896  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.425  -0.463   0.455  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        3.008  -1.939   0.257  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.943  -0.354   0.176  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1        5.450  -0.713  -1.092  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.819  -0.633  -1.384  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        7.711  -0.194  -0.406  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        7.234   0.169   0.851  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.867   0.091   1.138  0.00  0.00    +0.005 A 
BRANCH  28  32
ATOM     32  C   LIG    1        7.299  -1.005  -2.682  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1        7.692  -1.318  -3.729  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6