REMARK  Name = BDB048872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.236   0.606   0.179  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -1.853   1.956  -0.331  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1       -0.612   2.254   0.505  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.012   0.886   0.866  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -1.228   0.028   0.849  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  15
ATOM      6  O   LIG    1       -4.898  -3.201  -0.323  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -4.849  -1.977  -0.288  0.00  0.00    +0.260 A 
ATOM      8  C   LIG    1       -6.044  -1.140  -0.486  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -5.875   0.249  -0.452  0.00  0.00    +0.097 A 
ATOM     10  C   LIG    1       -7.015   1.046  -0.645  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -8.272   0.468  -0.862  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -8.413  -0.919  -0.891  0.00  0.00    +0.002 A 
ATOM     13 CL   LIG    1       -6.914   2.773  -0.622  0.00  0.00    -0.081 Cl
ATOM     14  N   LIG    1       -4.610   0.834  -0.234  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1       -3.590   0.063  -0.044  0.00  0.00    +0.137 A 
ATOM     16  C   LIG    1       -7.296  -1.729  -0.703  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -3.679  -1.302  -0.067  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -2.855  -1.876   0.029  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        1.004   0.359  -0.085  0.00  0.00    -0.293 NA
ATOM     20  C   LIG    1        1.622  -0.910   0.374  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        2.994  -0.781   1.079  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        3.972  -0.088   0.224  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.413   0.750  -0.847  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.058   1.352  -0.406  0.00  0.00    +0.104 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.325  -0.365   0.312  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        5.896  -0.879   1.492  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1        7.264  -1.157   1.595  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        8.091  -0.921   0.509  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        9.400  -1.185   0.602  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.574  -0.412  -0.670  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        6.205  -0.137  -0.762  0.00  0.00    +0.026 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3